# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-08T14:22:14+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') 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
"1000001","48.48","","21.72","","10.74","","90","","90","","90","","11309.1","","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C107 H142 N14 O26 -","- C107 H142 N14 O26 -","- C428 H568 N56 O104 -","4","1","","Bachet, Bernard; Soyer, Alain; Billy, Isabelle; Mornon, Jean-Paul","Pristinamycin complex solved using Shake-and-Bake","","","","","","","","","","1.5418","CuKα","","","0.0771","","","","0.0827","","","","","","5.0878","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000002","6.341","0.001","16.88","0.002","5.7798","0.0008","90","","97.6","0.01","90","","613.2","0.8","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Deuterated acid strontium oxalate","","","- C3 D3 O7 Sr -","- C3 D3 O7 Sr -","- C12 D12 O28 Sr4 -","4","1","","Vanhoyland, G.; Bourée, F.; Van Bael, M. K.; Mullens, J.; Van Poucke, L. C.","Structure determination and refinement of acid strontium oxalate from X-ray and neutron powder diffraction","Journal of Solid State Chemistry","2001","157","2","283","288","10.1006/jssc.2000.9057","","","","","","","","","","","","","","","","","","","","","has coordinates","191935","2020-10-21","18:00:00",""
"1000003","7.9661","0.0007","9.205","0.001","7.3198","0.0008","90","","102.104","0.008","90","","524.8","0.9","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anhydrous acid strontium oxalate","","","- C3 O6 Sr -","- C3 O6 Sr -","- C12 O24 Sr4 -","4","1","","G. Vanhoyland; M.K. Van Bael; J. Mullens; L.C. Van Poucke","Structure determination of anhydrous acid strontium oxalate by conventional X-ray powder diffraction","Powder Diffraction","2001","16","4","224","226","10.1154/1.1401199","","","","","","","","","","","","","","","","","","","","","has coordinates","208206","2020-10-21","18:00:00",""
"1000004","9.899","0.005","11.729","0.005","12.259","0.005","103.442","0.005","96.291","0.005","95.56","0.005","1364.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 Cu I P2 -","- C29 H30 Cu I P2 -","- C58 H60 Cu2 I2 P4 -","2","1","","","","","","","","","","","","","0.7107","MoKα","","0.0499","0.0469","","","0.132","0.1372","","","","","","1.16","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000005","11.217","0.002","8.1775","0.0015","19.887","0.004","90","","105.999","0.004","90","","1753.4","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F16 H3 O6 Sr5 V3 -","- F16 H3 O6 Sr5 V3 -","- F64 H12 O24 Sr20 V12 -","4","1","","","","","","","","","","","","","0.71073","MoKα","","0.0706","0.0382","","","0.0786","0.0835","","","","","","0.927","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000006","10.93","0.0009","12.7162","0.0011","15.7085","0.0013","90","","90","","90","","2183.3","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","tetracycline hydrochloride","","","- C22 H25 Cl N2 O8 -","- C22 H25 Cl N2 O8 -","- C88 H100 Cl4 N8 O32 -","4","1","","Armel Le Bail","","Personal Communication to COD","","","","","","","","","0.6883","synchrotron","","0.0633","0.0502","","","0.1116","0.1161","","","","","","0.969","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1000007","9.7397","","8.9174","","5.2503","","90","","105.866","","90","","438.631","","","","","","","","100","","","","DeKalb, New York","4","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","- Ca4 Mg4 O24 Si8 -","","","","Thompson, R. M.; Downs, R. T.","The crystal structure of diopside at pressure to 10 GPa Sample: P = 1 atm","American Mineralogist","2008","93","","177","186","10.2138/am.2008.2684","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:39",""
"1000008","9.7377","","8.9151","","5.2494","","90","","105.851","","90","","438.386","","","","","","","","130000","","","","DeKalb, New York","4","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","- Ca4 Mg4 O24 Si8 -","","","","Thompson, R. M.; Downs, R. T.","The crystal structure of diopside at pressure to 10 GPa Sample: P = 0.13 GPa","American Mineralogist","2008","93","","177","186","10.2138/am.2008.2684","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:41",""
"1000009","9.6808","","8.8488","","5.218","","90","","105.606","","90","","430.513","","","","","","","","2320000","","","","DeKalb, New York","4","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","- Ca4 Mg4 O24 Si8 -","","","","Thompson, R. M.; Downs, R. T.","The crystal structure of diopside at pressure to 10 GPa Sample: P = 2.32 GPa","American Mineralogist","2008","93","","177","186","10.2138/am.2008.2684","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:41",""
"1000010","9.6341","","8.7948","","5.1926","","90","","105.421","","90","","424.129","","","","","","","","4220000","","","","DeKalb, New York","4","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","- Ca4 Mg4 O24 Si8 -","","","","Thompson, R. M.; Downs, R. T.","The crystal structure of diopside at pressure to 10 GPa Sample: P = 4.22 GPa","American Mineralogist","2008","93","","177","186","10.2138/am.2008.2684","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000011","9.6135","","8.7695","","5.1813","","90","","105.337","","90","","421.256","","","","","","","","5110000","","","","DeKalb, New York","4","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","- Ca4 Mg4 O24 Si8 -","","","","Thompson, R. M.; Downs, R. T.","The crystal structure of diopside at pressure to 10 GPa Sample: P = 5.11 GPa","American Mineralogist","2008","93","","177","186","10.2138/am.2008.2684","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000012","9.5731","","8.7197","","5.158","","90","","105.203","","90","","415.493","","","","","","","","7080000","","","","DeKalb, New York","4","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","- Ca4 Mg4 O24 Si8 -","","","","Thompson, R. M.; Downs, R. T.","The crystal structure of diopside at pressure to 10 GPa Sample: P = 7.08 GPa","American Mineralogist","2008","93","","177","186","10.2138/am.2008.2684","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000013","9.5557","","8.6951","","5.1474","","90","","105.148","","90","","412.826","","","","","","","","8010000","","","","DeKalb, New York","4","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","- Ca4 Mg4 O24 Si8 -","","","","Thompson, R. M.; Downs, R. T.","The crystal structure of diopside at pressure to 10 GPa Sample: P = 8.01 GPa","American Mineralogist","2008","93","","177","186","10.2138/am.2008.2684","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000014","9.5391","","8.6752","","5.1385","","90","","105.106","","90","","410.536","","","","","","","","8880000","","","","DeKalb, New York","4","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","- Ca4 Mg4 O24 Si8 -","","","","Thompson, R. M.; Downs, R. T.","The crystal structure of diopside at pressure to 10 GPa Sample: P = 8.88 GPa","American Mineralogist","2008","93","","177","186","10.2138/am.2008.2684","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000015","9.527","","8.6587","","5.1306","","90","","105.067","","90","","408.681","","","","","","","","9500000","","","","DeKalb, New York","4","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","- Ca4 Mg4 O24 Si8 -","","","","Thompson, R. M.; Downs, R. T.","The crystal structure of diopside at pressure to 10 GPa Sample: P = 9.50 GPa","American Mineralogist","2008","93","","177","186","10.2138/am.2008.2684","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000016","9.5164","","8.6449","","5.1246","","90","","105.033","","90","","407.164","","","","","","","","10160000","","","","DeKalb, New York","4","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","- Ca4 Mg4 O24 Si8 -","","","","Thompson, R. M.; Downs, R. T.","The crystal structure of diopside at pressure to 10 GPa Sample: P = 10.16 GPa","American Mineralogist","2008","93","","177","186","10.2138/am.2008.2684","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000017","4.7606","0.0005","4.7606","0.0005","12.994","0.001","90","","90","","120","","255","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Aluminium oxide","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Tsirelson, V G; Antipin, M Y; Gerr, R G; Ozerov, R P; Struchkov, Y T","Ruby structure peculiarities derived from X-ray data. Localization of chromium atoms and electron deformation density","Physica Status Solidi, Sectio A: Applied Research","1985","87","","425","433","10.1002/pssa.2210870204","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:24:54",""
"1000022","5.38","0.001","5.44","0.001","7.639","0.001","90","","90","","90","","223.6","","","","","","","","","","","","from Benitoite Gem mine, San Benito Co., California,USA","3","P b n m","-P 2c 2ab","62","","Calcium titanate","Perovskite","- Ca O3 Ti -","- Ca O3 Ti -","- Ca4 O12 Ti4 -","4","0.5","","Beran, A; Libowitzky, E; Armbruster, T","A single-crystal infrared spectroscopic and X-ray diffraction study of untwinned San Benito perovskite containing O H groups","Canadian Mineralogist","1996","34","","803","809","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000023","7.9296","0.0001","9.3275","0.0002","6.2555","0.0001","107.16","0.001","101.011","0.001","105.83","0.001","406.34","0.01","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu3 Fe4 O24 P6 -","- Cu2.9376 Fe4 O24 P6 -","- Cu2.9376 Fe4 O24 P6 -","","","","","","","","","","","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000025","5.0125","0.0003","5.0125","0.0003","3.9873","0.0002","90","","90","","120","","86.76","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- La Ni5 -","- La Ni5 -","- La Ni5 -","1","0.0416667","","Kisi, E. H.; Buckley, C. E.; Gray, E. M.","The hydrogen activation of LaNi~5~","Journal of Alloys and Compounds","1992","185","2","369","384","10.1016/0925-8388(92)90484-Q","","","","","","","","","","","","","","","","","","","","","has coordinates","174702","2020-10-21","18:00:00",""
"1000026","3.085","","3.085","","3.523","","90","","90","","120","","29.04","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- B2 Mg -","- B2 Mg -","- B2 Mg -","1","0.0416667","","","","J. Appl. Chem. USSR, engl. trans.","1971","44","","970","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000027","5.182","0.015","7.893","0.002","6.506","0.016","90","","90","","90","","266.1","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Magnesium sulfate","","- Mg O4 S -","- Mg O4 S -","- Mg4 O16 S4 -","4","0.25","","Rentzeperis, P J; Soldatos, C T","The Crystal Structure of the Anhydrous Magnesium Sulfate","Acta Crystallographica (1,1948-23,1967)","1958","11","","686","688","10.1107/S0365110X58001857","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000028","8.875","0.001","8.875","0.001","8.875","0.001","90","","90","","90","","699","0.1","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","Tetrasodium trialuminium tris(silicate) chloride","Sodalite","- Al6 Cl2 Na8 O24 Si6 -","- Al6 Cl2 Na8 O24 Si6 -","- Al6 Cl2 Na8 O24 Si6 -","1","0.0416667","","Hassan, I.; Grundy, H. D.","The Crystal Structures of Sodalite-Group Minerals","Acta Crystallographica, Section B: Structural Science","1984","40","1","6","13","10.1107/s0108768184001683","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","203897","2020-10-21","18:00:00",""
"1000029","7.82927","0.00007","7.82927","0.00007","5.70757","0.00006","90","","90","","120","","303","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","Yttrium alumosilicate nitrogen oxide *","","- Al2.7 N15.1 O0.9 Si9.3 Y0.5 -","- Al2.76 N15.04 O0.96 Si9.24 Y0.544 -","- Al2.76 N15.04 O0.96 Si9.24 Y0.544 -","1","0.166667","","Izumi, F.; Mitomo, M.; Bando, Y.","Rietveld refinements for calcium and yttrium containing α-sialons","Journal of Materials Science","1984","19","9","3115","3120","10.1007/BF01026991","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","200129","2020-10-21","18:00:00",""
"1000030","3.8203","0.00008","3.88548","0.0001","11.68349","0.00023","90","","90","","90","","173.4","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.9)","","- Ba2 Cu3 O6.9 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Williams, A; Kwei, G H; Dreele, R B von; Larson, A C; Raistrick, I D; Bish, D L","Joint X-ray and neutron refinement of the structure of superconducting YBa~2~Cu~3~O~7-x~: precision structure, anisotropic thermal parameters, strain and cation disorder","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1988","37","","7960","7962","10.1103/PhysRevB.37.7960","","","","","","0.0524","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000031","3.8402","0.0001","3.8708","0.0001","27.2309","0.0003","90","","90","","90","","404.8","","295","","","","","","","","","","","4","A m m m","-A 2 2","65","","","","- Ba2 Cu4 O8 Y -","- Ba2 Cu4 O8 Y -","- Ba4 Cu8 O16 Y2 -","2","0.125","","Lightfoot, P.; Pei, S.; Jorgensen, J. D.; Yamada, Y.; Matsumoto, T.; Izumi, F.; Kodama, Y.","Redetermination of the structure of the 80 K superconductor YBa~2~Cu~4~O~8~ by time-of-flight neutron powder diffraction","Acta Crystallographica Section C","1991","47","","1143","1145","10.1107/S0108270190011271","","","","","","","","","","","","","","","","","","","","","has coordinates","198383","2020-10-21","18:00:00",""
"1000032","4.7605","0.00005","4.7605","0.00005","12.9956","0.0002","90","","90","","120","","255.1","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Aluminium oxide - $-alpha","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Lutterotti, L; Scardi, P","Simultaneous structure and size-strain refinement by the Rietveld method","Journal of Applied Crystallography","1990","23","","246","252","10.1107/S0021889890002382","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1000033","5.3126","0.0005","8.8958","0.0005","6.4284","0.0005","90","","90","","90","","303.8","","","","","","","","","","","","from Anglesarke, Lancashire, England","3","P m c n","-P 2n 2a","62","","Barium carbonate","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","de Villiers, J. P. R.","Crystal structures of aragonite, strontianite, and witherite","American Mineralogist","1971","56","","758","767","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:43",""
"1000034","8.173","0.001","12.869","0.001","14.165","0.001","93.113","0.006","115.913","0.006","91.261","0.006","1336.3","","","","","","","","","","","","from Val Plasmeda, Tyrol, Austria","4","P -1","-P 1","2","","Calcium tecto-dialumodisilicate","Anorthite","- Al2 Ca O8 Si2 -","- Al2 Ca O8 Si2 -","- Al16 Ca8 O64 Si16 -","8","4","","Wainwright, J E; Starkey, J","A refinement of the structure of anorthite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1971","133","","75","84","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000035","9.699","0.001","8.844","0.001","5.272","0.001","90","","106.97","0.02","90","","432.5","","","","","","","","","","","","from Kakanui, New Zealand","7","C 1 2/c 1","-C 2yc","15","","Sodium calcium magnesium iron titanium alumosilicate *","Augite","- Al0.34 Ca0.6 Fe0.2 Mg0.9 Na0.1 O6 Si1.82 -","- Al0.342 Ca0.616 Fe0.21 Mg0.902 Na0.09 O6 Si1.82 Ti0.02 -","- Al1.368 Ca2.464 Fe0.84 Mg3.608 Na0.36 O24 Si7.28 Ti0.08 -","4","0.5","","Clark, J R; Appleman, D E; Papike, J J","Crystal-Chemical Characterization of Clinopyroxenes based on Eight New Structure Refinements","Mineralogical Society of America: Special Papers","1969","2","","31","50","","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000036","5.33","0.05","9.18","0.05","28.85","0.1","90","","93.25","0.25","90","","1409.3","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Trimagnesium dihydrogen phyllo-silicate","Vermiculite","- H2 Mg3 O12 Si4 -","- H2 Mg3 O12 Si4 -","- H8 Mg12 O48 Si16 -","4","1","","Hendricks, S B; Jefferson, M E","Crystal structure of vermiculites and mixed vermiculite-chlorites","American Mineralogist","1938","23","","851","862","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000037","8.884","0.004","5.458","0.003","7.153","0.003","90","","90","","90","","346.8","","","","","","","","","","","","from Cow Green Mine, Teesdale, Durham, England","3","P n m a","-P 2ac 2n","62","","Barium sulfate","Barite","- Ba O4 S -","- Ba O4 S -","- Ba4 O16 S4 -","4","0.5","","Colville, A A; Staudhammer, K","A Refinement of the Structure of Barite","American Mineralogist","1967","52","","1877","1880","","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:05",""
"1000038","5.345","0.001","9.258","0.002","10.222","0.002","90","","100.23","0.02","90","","497.8","","","","","","","","","","","","from Valle de Cervo, Vercelli, Italy","7","C 1 2/m 1","-C 2y","12","","Potassium iron dimagnesium phyllo-alumotrisilicate dihydroxide","Biotite","- Al Fe H2 K Mg2 O12 Si3 -","- Al Fe H2 K Mg2 O12 Si3 -","- Al2 Fe2 H4 K2 Mg4 O24 Si6 -","2","0.25","","Brigatti, M F; Davoli, P","Crystal structure refinement of 1M plutonic biotites","American Mineralogist","1990","75","","305","313","","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000039","15.263","0.003","15.263","0.003","15.263","0.003","90","","90","","90","","3555.7","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Calcium cyclo-hexaaluminate","","- Al6 Ca9 O18 -","- Al6 Ca9 O18 -","- Al48 Ca72 O144 -","8","0.333333","","Mondal, P; Jeffery, J W","The crystal structure of tricalcium aluminate, Ca~3~ Al~2~ O~6~","Acta Crystallographica B (24,1968-38,1982)","1975","31","","689","697","10.1107/S0567740875003639","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000040","5.588","0.005","14.61","0.02","5.38","0.005","90","","90","","90","","439.2","","","","","","","","","","","","","4","I b m 2","I 2 -2b","46","","Calcium aluminium iron oxide (2/0.6/1.4/5)","","- Al0.6 Ca2 Fe1.4 O5 -","- Al0.6 Ca2 Fe1.4 O5 -","- Al2.4 Ca8 Fe5.6 O20 -","4","0.5","","Colville, A A; Geller, S","Crystal structures of Ca~2~ Fe~1.43~ Al~0.57~ O~5~ and Ca~2~ Fe~1.28~ Al~0.72~ O~5~","Acta Crystallographica B (24,1968-38,1982)","1972","28","","3196","3200","10.1107/S0567740872007733","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000041","5.62","","5.62","","5.62","","90","","90","","90","","177.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sodium chloride","","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Abrahams, S C; Bernstein, J L","Accuracy of an automatic diffractometer. measurement of the sodium chloride structure factors","Acta Crystallographica (1,1948-23,1967)","1965","18","","926","932","10.1107/S0365110X65002244","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000042","5.189","0.01","8.995","0.02","20.09698","0.005","90","","95.18","0.08","90","","934.2","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Potassium trialuminium dihydroxide trisilicate","Muscovite 2M1","- Al3 H2 K O12 Si3 -","- Al3 H2 K O12 Si3 -","- Al12 H8 K4 O48 Si12 -","4","0.5","","Gatineau, L","Localisation des remplacements isomorphiques dans la Muscovite","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1963","256","","4648","4649","","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:06",""
"1000043","5.462","0.03","5.462","0.03","5.462","0.03","90","","90","","90","","163","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Calcium difluoride","Fluorite","- Ca F2 -","- Ca F2 -","- Ca4 F8 -","4","0.0208333","","Cheetham, A K; Fender, B E F; Cooper, M J","Defect structure of calcium fluoride containing excess anions: I. Bragg scattering","Journal of Physics C","1971","4","","3107","3121","10.1088/0022-3719/4/18/016","","","","","","0.008","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1000044","4.799","","4.799","","4.799","","90","","90","","90","","110.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Calcium oxide","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Primak, W; Kaufman, H; Ward, R","X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors","Journal of the American Chemical Society","1948","70","","2043","2046","10.1021/ja01186a018","","","","","","","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1000045","3.5862","0.0006","3.5862","0.0006","4.8801","0.0017","90","","90","","120","","54.4","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Busing, W R; Levy, H A","Neutron diffraction study of calcium hydroxide","Journal of Chemical Physics","1957","26","","563","568","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000046","5.593","0.006","3.645","0.004","22.45599","0.027","90","","96.97","0.02","90","","454.4","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Pentacalcium 16-oxodihydroxohexasilicate tetrahydrate","Clinotobermorite","- Ca5 H10 O22 Si6 -","- Ca5 H10 O19 Si6 -","- Ca5 H10 O19 Si6 -","1","0.125","","Hoffmann, C; Armbruster, T","Clinotobermorite, Ca5 (Si3 O8 (O H))2 . 4(H2 O) Ca5 (Si6 O17) . 5 (H2 O), a natural C-S-H(I) type cement mineral: determination of the substructure","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","863","873","","","","","","","0.0671","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:06",""
"1000047","18.25099","0.004","8.814","0.001","5.181","0.001","90","","90","","90","","833.4","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Dimagnesium catena-disilicate","Enstatite","- Mg2 O6 Si2 -","- Mg2 O6 Si2 -","- Mg16 O48 Si16 -","8","1","","Yang, H X; Ghose, S","High temperature single crystal X-ray diffraction studies of the ortho- proto phase transition in enstatite, Mg2 Si2 O6 at 1360 K","Physics and Chemistry of Minerals (Germany)","1995","22","","300","310","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000048","7.685","0.0004","7.685","0.0004","5.0636","0.0003","90","","90","","90","","299.1","","","","","","","","","","annealed at 1250 C for 2 d","","synthetic, glas annealed at 1250 C for 2 d","4","P -4 21 m","P -4 2ab","113","","Dicalcium aluminium alumosilicate","Gehlenite","- Al2 Ca2 O7 Si -","- Al2 Ca2 O7 Si -","- Al4 Ca4 O14 Si2 -","2","0.25","","Swainson, I P; Dove, M T; Schmahl, W W; Putnis, A","Neutron Diffraction Study of the Akermanite-Gehlenite Solid Solution Series","Physics and Chemistry of Minerals (Germany)","1992","19","","185","195","","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000049","5.947","0.002","5.947","0.002","8.375","0.003","90","","90","","120","","256.5","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Potassium sulfate - high-temperature phase","","- K2 O4 S -","- K2 O3.998 S -","- K4 O7.996 S2 -","2","0.0833333","","Miyake, M; Morikawa, H; Iwai, S I","Structure Reinvestigation of the High-Temperature Form of K~2~ S O~4~","Acta Crystallographica B (24,1968-38,1982)","1980","36","","532","536","10.1107/S0567740880003779","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000050","3.634","0.004","3.634","0.004","3.634","0.004","90","","90","","90","","48","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Potassium chloride","","- Cl K -","- Cl K -","- Cl K -","1","0.0208333","","Will, G","Energiedispersion und Synchrotronstrahlung: Eine neue Methode und eine neue Strahlenquelle fuer die Roentgenbeugung","Fortschritte der Mineralogie","1981","59","","31","94","","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1000051","5.487","0.001","5.487","0.001","9.156","0.003","90","","90","","120","","238.7","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Potasium nitrate - γ","","- K N O3 -","- K N O3 -","- K3 N3 O9 -","3","0.166667","","Nimmo, J. K.; Lucas, B. W.","The crystal structures of γ- and β-KNO~3~ and the α ←γ ←β phase transformations","Acta Crystallographica B (24,1968-38,1982)","1976","32","7","1968","1971","10.1107/S0567740876006894","","","","","","0.18","","","","","","","","","","","","","","","has coordinates","189448","2020-10-21","18:00:00",""
"1000052","9.5027","0.0006","9.5027","0.0006","7.8212","0.0006","90","","90","","120","","611.6","","","","","","","","","","","","from Tea Tree Gully, Australia","4","R 3 2 :H","R 3 2""","155","","Calcium trimagnesium carbonate","Huntite","- C4 Ca Mg3 O12 -","- C4 Ca Mg3 O12 -","- C12 Ca3 Mg9 O36 -","3","0.166667","","Dollase, W A; Reeder, R J","Crystal structure refinement of Huntite Ca Mg~3~ (C O~3~)~4~ with X-ray powder data","American Mineralogist","1986","71","","163","166","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000053","4.217","0.001","4.217","0.001","4.217","0.001","90","","90","","90","","75","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Magnesium oxide","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Sasaki, Satoshi; Fujino, Kiyoshi; Takéuchi, Yoshio","X-Ray Determination of Electron-Density Distributions in Oxides, MgO, MnO, CoO, and NiO, and Atomic Scattering Factors of their Constituent Atoms","Proceedings of the Japan Academy, Series B: Physical and Biological Sciences","1979","55","2","43","48","10.2183/pjab.55.43","","","","","","0.0126","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1000054","3.142","0.001","3.142","0.001","4.766","0.002","90","","90","","120","","40.7","","","","","","","","","","","","from North America","3","P -3 m 1","-P 3 2""","164","","Magnesium hydroxide","Brucite","- H2 Mg O2 -","- H2 Mg O2 -","- H2 Mg O2 -","1","0.0833333","","Zigan, F; Rothbauer, R","Neutronenbeugungsmessungen am Brucit","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1967","1967","","137","143","","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:07",""
"1000055","4.157597","0.000017","4.157597","","4.157597","","90","","90","","90","","71.87","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Lanthanum hexaboride","","- B6 La -","- B6 La -","- B6 La -","1","0.0208333","","Zavalij, P","","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","205201","2020-10-21","18:00:00",""
"1000056","5.97","0.003","8.125","0.003","10.48","0.005","90","","90","","90","","508.35","","","","","","","","","","","","","2","I m a m","","","","","","- B14 Mg1.93 -","- B56 Mg7.72 -","- B56 Mg7.72 -","","","","Guette, A.; Barret, M.; Naslain, R.; Hagenmuller, P.; Tergenius, L.-E.; Lundström, T.","Crystal structure of magnesium heptaboride Mg2B14","Journal of the Less Common Metals","1981","82","","325","334","10.1016/0022-5088(81)90235-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282633","2023-04-14","12:39:58",""
"1000057","4.157","0.0001","4.157","0.0001","4.157","0.0001","90","","90","","90","","71.8","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Lanthanum boride (1/6)","","- B6 La -","- B6 La -","- B6 La -","1","0.0208333","","Eliseev, A A; Efremmov, V A; Kuz'micheva, G M; Konovalova, E S; Lazorenko, V I; Paderno, Y B; Khlyustova, S Y","X-ray structural investigation of single crystals of lanthanum, cerium, and samarium hexaborides","Kristallografiya","1986","31","","803","805","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:07",""
"1000058","4.4968","0.0002","4.4968","0.0002","3.1049","0.0001","90","","90","","90","","62.8","","","","","","","","","","","","Synthetic","2","P 42/m n m","","136","","Ruthenium(IV) oxide","","- O2 Ru -","- O2 Ru -","- O4 Ru2 -","2","0.125","","Bolzan A A; Fong C; Kennedy B J; Howard C J","Structural studies of rutile-type metal dioxides","Acta Crystallographica, Section B","1997","53","","373","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:20",""
"1000059","4.7554","0.0003","4.7554","0.0003","12.991","0.0006","90","","90","","120","","254.4","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Aluminium oxide","","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Wang, X - L; Hubbard, C R; Alexander, K B; Becher, P F","Neutron diffraction measurements of the residual stresses in Al2 O3 - Zr O2 (Ce O2) ceramic composites","Journal of the American Ceramic Society","1994","77","6","1569","1575","10.1111/j.1151-2916.1994.tb09758.x","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1000060","9.429","0.002","9.636","0.002","3.591","0.001","90","","90","","90","","326.3","","","","","","","","","","","","","3","B b m m","-B 2 2b","63","","Aluminium pentaoxotitanate","","- Al2 O5 Ti -","- Al2.001 O5 Ti0.999 -","- Al8.004 O20 Ti3.996 -","4","0.25","","Morosin, B; Lynch, R W","Structure studies on Al~2~ Ti O~5~ at room temperature and at 600C","Acta Crystallographica B (24,1968-38,1982)","1972","28","","1040","1046","10.1107/S0567740872003681","","","","","","0.098","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000061","5.062","0.001","8.671","0.002","4.713","0.001","90","","90.27","0.03","90","","206.9","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Aluminium hydroxide","Bayerite","- Al H3 O3 -","- Al H3 O3 -","- Al4 H12 O12 -","4","1","","Rothbauer, R; Zigan, F; O'Daniel, H","Verfeinerung der Struktur des Bayerits, Al (O H)3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1967","125","","317","331","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000062","4.738","0.0001","4.738","0.0001","3.1865","0.0002","90","","90","","90","","71.5","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Tin(IV) oxide","Cassiterite","- O2 Sn -","- O2 Sn -","- O4 Sn2 -","2","0.125","","Baur, W H; Khan, A A","Rutile-Type Compounds. VI. Si O2, Ge O2 and a Comparison with other Rutile-Type Structures","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2133","2139","10.1107/S0567740871005466","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000063","4.252","0.002","4.252","0.002","4.252","0.002","90","","90","","90","","76.9","","","","","","","","","","","","synthetic","2","P n -3 m :1","P 4n 2 3 -1n","224","","Copper(I) oxide","Cuprite","- Cu2 O -","- Cu2 O -","- Cu4 O2 -","2","0.0416667","","Neuburger, M C","Praezisionsmessung der Gitterkonstante von Cuprooxyd Cu2 O","Zeitschrift fuer Physik","1930","67","","845","850","10.1007/BF01390765","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1000064","4.8195","0.0006","10.4788","0.0017","6.0873","0.0008","90","","90","","90","","307.4","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","Iron silicate - α","Fayalite","- Fe2 O4 Si -","- Fe2 O4 Si -","- Fe8 O16 Si4 -","4","0.5","","Fujino, K.; Sasaki, S.; Takeuchi, Y.; Sadanaga, R.","X-ray Determination of Electron Distributions in Forsterite, Fayalite and Tephroite","Acta Crystallographica B (24,1968-38,1982)","1981","37","3","513","518","10.1107/S0567740881003506","","","","","","0.0255","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000065","2.46","","2.46","","33.45","","90","","90","","120","","175.3","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Graphite nitrate","Carbon","","- C -","- C -","- C12 -","12","0.333333","","Nixon, D. E.; Parry, G. S.; Ubbelohde, A. R.","Order-disorder transformations in graphite nitrates","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences","1966","291","1426","324","339","10.1098/rspa.1966.0098","","","","","","","","","","","","","","","","","","","","","has coordinates","297742","2025-02-14","14:18:16",""
"1000066","3.841","0.001","3.883","0.001","11.671","0.003","90","","90","","90","","174.1","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Yttrium barium palladium copper oxide (1/2/.5/2.5/7)","","- Ba2 Cu2.5 O7 Pd0.5 Y -","- Ba2 Cu2.5 O7 Pd0.5 Y -","- Ba2 Cu2.5 O7 Pd0.5 Y -","1","0.125","","Ferey, G; Le Bail, A; Laligant, Y; Hervieu, M; Raveau, B; Sulpice, A; Tournier, R","Ordered Pd^2+^ - Cu^2+^ substitution in 1.2.3. superconductor: The oxide Y Ba~2~ Cu~3-x~ Pd~x~ O~y~ (x=0.5) with Pd^2+^ in square planar coordination.","Physica C (Amsterdam) (152,1988-)","1988","153","","489","490","","","","","","","0.0577","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000067","4.6664","0.0001","17.4435","0.0005","4.9941","0.0002","90","","90","","90","","406.5","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Lithium antimony(V) tungstate","","- Li O6 Sb W -","- Li O6 Sb W -","- Li4 O24 Sb4 W4 -","4","0.5","","Le Bail, A; Duroy, H; Fourquet, J L","Ab-initio structure determination of Li Sb W O~6~ by X-ray powder diffraction","Materials Research Bulletin","1988","23","","447","452","10.1016/0025-5408(88)90019-0","","","","","","0.0516","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000068","4.6819","0.0002","4.6819","0.0002","9.2757","0.0005","90","","90","","90","","203.3","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Lithium niobium tungstate -$-alpha","","- Li Nb O6 W -","- Li Nb O6 W -","- Li2 Nb2 O12 W2 -","2","0.25","","Fourquet, J L; Le Bail, A; Gillet, P A","Li Nb W O~6~: Crystal structure of its two allotropic forms","Materials Research Bulletin","1988","23","","1163","1170","10.1016/0025-5408(88)90207-3","","","","","","0.0974","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000069","4.6818","0.0006","4.6818","0.0006","9.2754","0.0015","90","","90","","90","","203.3","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Lithium niobium tungstate -$-alpha","","- Li Nb O6 W -","- Li Nb O6 W -","- Li2 Nb2 O12 W2 -","2","0.25","","Fourquet, J L; Le Bail, A; Gillet, P A","Li Nb W O~6~: Crystal structure of its two allotropic forms","Materials Research Bulletin","1988","23","","1163","1170","10.1016/0025-5408(88)90207-3","","","","","","0.0822","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000070","5.1562","0.0009","5.1562","0.0009","13.664","0.003","90","","90","","120","","314.6","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Lithium niobium tungstate - $-beta","","- Li Nb O6 W -","- Li Nb O6 W -","- Li3 Nb3 O18 W3 -","3","0.166667","","Fourquet, J L; Le Bail, A; Gillet, P A","Li Nb W O~6~: Crystal structure of its two allotropic forms","Materials Research Bulletin","1988","23","","1163","1170","10.1016/0025-5408(88)90207-3","","","","","","0.1028","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000071","13.335","0.002","4.08","0.005","3.8362","0.0004","90","","90","","90","","208.7","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Dibarium palladate","","- Ba2 O3 Pd -","- Ba2 O3 Pd -","- Ba4 O6 Pd2 -","2","0.125","","Laligant, Y; Le Bail, A; Ferey, G; Hervieu, M; Raveau, B; Wilkinson, A; Cheetham, A K","Synthesis and ab-initio structure determination from X-ray powder data of Ba~2~ Pd O~3~ with sevenfold coordinated Ba^2+^. Structural correlations with K~2~ Ni F~4~ and Ba~2~ Ni F~6~","European Journal of Solid State Inorganic Chemistry","1988","25","","237","246","","","","","","","0.0853","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000072","5.659","0.002","7.578","0.004","12.623","0.005","89.66","0.02","102.14","0.02","92.23","0.02","528.8","","","","","","","","","","","","","4","P -1","-P 1","2","","Oxovanadium(IV) hydrogenphosphate dihydrate - $+beta","","- H5 O7 P V -","- H5 O7 P V -","- H20 O28 P4 V4 -","4","2","","Le Bail, A; Ferey, G; Amoros, P; Beltran Porter, D; Villeneuve, G","Crystal Structure of $+beta-V O (H P O~4~) (H~2~ O)2 Solved from X-Ray Powder Diffraction","Journal of Solid State Chemistry","1989","79","","169","176","10.1016/0022-4596(89)90262-4","","","","","","0.0764","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000073","8.7885","0.0001","8.7685","0.0001","12.958","0.002","90","","90","","90","","998.6","","","","","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","Trilithium thorium fluoride","","- F7 Li3 Th -","- F7 Li3 Th -","- F56 Li24 Th8 -","8","0.5","","Laligant, Y; Le Bail, A; Avignant, D; Cousseins, J C; Ferey, G","Crystal Structure of Li~3~ Th F~7~ solved by X-Ray and Neutron Diffraction","Journal of Solid State Chemistry","1989","80","","206","212","10.1016/0022-4596(89)90081-9","","","","","","0.0393","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000074","8.759","0.0002","8.728","0.0002","12.8956","0.0003","90","","90","","90","","985.8","","","","","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","Trilithium thorium fluoride","","- F7 Li3 Th -","- F7 Li3 Th -","- F56 Li24 Th8 -","8","0.5","","Laligant, Y; Le Bail, A; Avignant, D; Cousseins, J C; Ferey, G","Crystal Structure of Li~3~ Th F~7~ solved by X-Ray and Neutron Diffraction","Journal of Solid State Chemistry","1989","80","","206","212","10.1016/0022-4596(89)90081-9","","","","","","0.1152","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000075","6.9109","0.0002","6.9109","0.0002","4.3557","0.0002","90","","90","","90","","208","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Lithium bismuth dipalladium oxide","","- Bi Li O4 Pd2 -","- Bi Li O4 Pd2 -","- Bi2 Li2 O8 Pd4 -","2","0.125","","Laligant, Y; Le Bail, A; Ferey, G","Complex Palladium Oxides. V. Crystal Structure of Li Bi Pd~2~ O~4~: An Example of Three Different Fourfold Coordinations of Cations","Journal of Solid State Chemistry","1989","81","","58","64","10.1016/0022-4596(89)90201-6","","","","","","0.0412","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000076","10.2679","0.0005","10.2679","0.0005","18.373","0.002","90","","90","","90","","1937.1","","","","","","","","","","","","","4","P 42/n :2","-P 4bc","86","","Trisodium tetrastrontium 26-fluoropentaaluminate","","- Al5 F26 Na3 Sr4 -","- Al5 F26 Na3 Sr4 -","- Al20 F104 Na12 Sr16 -","4","0.5","","Hemon, A; Le Bail, A; Courbion, G","Crystal Structure of Na~3~ Sr~4~ Al~5~ F~26~","Journal of Solid State Chemistry","1989","81","","299","304","10.1016/0022-4596(89)90018-2","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000077","7.276","0.002","12.48","0.003","7.364","0.002","90","","90","","90","","668.7","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Chromium fluoride ammonia *","","- Cr F3 H0.0999 N0.0333 -","- Cr F3 H0.1 N0.0333333 -","- Cr12 F36 H1.2 N0.4 -","12","0.75","","de Pape, R; Le Bail, A; Lubin, F; Ferey, G","Les varietes ""bronze de tungstene hexagonal"" des trifluorures CrF~3~ et VF~3~","Revue de Chimie Minerale","1987","24","","545","551","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:06",""
"1000078","7.425","0.009","12.835","0.017","7.563","0.002","90","","90","","90","","720.8","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Vanadium(III) fluoride (0.03/1/3)","","- F3 H0.0801 N0.0267 V -","- F3 H0.08 N0.0266667 V -","- F36 H0.96 N0.32 V12 -","12","0.75","","de Pape, R; Le Bail, A; Lubin, F; Ferey, G","Les varietes ""bronze de tungstene hexagonal"" des trifluorures CrF~3~ et VF~3~","Revue de Chimie Minerale","1987","24","","545","551","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:09",""
"1000079","6.755","0.0003","9.1026","0.0004","17.0808","0.0006","90","","90","","90","","1050.3","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Potassium dioxovanadium hydrogenphosphate","","- H K O6 P V -","- H K O6 P V -","- H8 K8 O48 P8 V8 -","8","1","","Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G","Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction","European Journal of Solid State Inorganic Chemistry","1988","25","","599","607","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","279152","2022-11-09","13:25:42",""
"1000080","6.8064","0.0006","9.2567","0.0007","17.732","0.002","90","","90","","90","","1117.2","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ammonium dioxovanadium hydrogenphosphate","","- H5 N O6 P V -","- H5 N O6 P V -","- H40 N8 O48 P8 V8 -","8","1","","Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G","Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction","European Journal of Solid State Inorganic Chemistry","1988","25","","599","607","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","279152","2022-11-09","13:25:42",""
"1000081","6.8182","0.0008","9.291","0.001","17.631","0.002","90","","90","","90","","1116.9","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Rubidium dioxovanadium hydrogenphosphate","","- H O6 P Rb V -","- H O6 P Rb V -","- H8 O48 P8 Rb8 V8 -","8","1","","Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G","Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction","European Journal of Solid State Inorganic Chemistry","1988","25","","599","607","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","279152","2022-11-09","13:25:42",""
"1000082","12.075","0.006","6.972","0.003","10.214","0.005","90","","113.2","0.02","90","","790.4","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Dirubidium sodium hexaaluminium fluoride","","- Al6 F21 Na Rb2 -","- Al6 F21 Na Rb2 -","- Al12 F42 Na2 Rb4 -","2","0.5","","Le Bail, A; Gao, Y; Jacoboni, C","Crystal structure of Rb~2~NaAl~6~F~21~; a new term of the A~2~Na(Al~x~F~3x+1~)~3~ family (A= Rb, Cs)","European Journal of Solid State Inorganic Chemistry","1989","26","","281","288","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000083","7.613","0.005","7.431","0.005","9.482","0.007","90","","95.44","0.08","90","","534","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Oxovanadium(IV) hydrogenphosphate dihydrate - α","","- H5 O7 P V -","- H6.5 O7 P V -","- H26 O28 P4 V4 -","4","1","","Le Bail, A.; Ferey, G.; Amoros, P.; Beltran-Portier, D.","Structure of vanadyl hydrogenphosphate dihydrate α-VO(HPO~4~) 2H~2~O solved from X-ray and neutron powder diffraction","European Journal of Solid State and Inorganic Chemistry","1989","26","","419","426","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","200144","2020-10-21","18:00:00",""
"1000084","7.61","0.01","7.42","0.01","9.47","0.01","90","","95.4","0.1","90","","532.4","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Oxovanadium(IV) hydrogenphosphate dihydrate - α","","- H5 O7 P V -","- H9 O7 P V -","- H36 O28 P4 V4 -","4","1","","Le Bail, A.; Ferey, G.; Amoros, P.; Beltran-Portier, D.","Structure of vanadyl hydrogenphosphate dihydrate α-VO(HPO~4~) 2H~2~O solved from X-ray and neutron powder diffraction","European Journal of Solid State and Inorganic Chemistry","1989","26","","419","426","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","200144","2020-10-21","18:00:00",""
"1000085","7.418","0.002","25.67","0.005","14.624","0.002","90","","90","","90","","2784.7","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Dirubidium pentachromium fluoride","","- Cr5 F17 Rb2 -","- Cr5 F17 Rb2 -","- Cr40 F136 Rb16 -","8","0.5","","Laligant, Y; Le Bail, A; Ferey, G","Crystal structure determination of Rb~2~Cr~5~F~17~","European Journal of Solid State Inorganic Chemistry","1989","26","","445","454","","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000086","9.8614","0.0002","9.8614","0.0002","9.8614","0.0002","90","","90","","90","","959","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Aluminium hydroxide fluoride hydrate (2/2.8/3.2/1)","","- Al2 F3.24 H4.76 O3.76 -","- Al2 F3.24 H4.764 O3.76 -","- Al16 F25.92 H38.112 O30.08 -","8","0.0416667","","Fourquet, J L; Riviere, M; Le Bail, A; Nygrens, M; Grins, J","Crystal structure and protonic conductivity of pyrochlore phases Al~2~((O H)~1-x~ F~x~)~6~ . H~2~O and Al~2~((O H)~1-x~F~x~)~6~ (x=0.5)","European Journal of Solid State Inorganic Chemistry","1988","25","","535","540","","","","","","","0.0124","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000087","9.749","0.0006","9.749","0.0006","9.749","0.0006","90","","90","","90","","926.6","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Dialuminium trihydroxide trifluoride","","- Al2 F3 H3 O3 -","- Al2 F3 H3 O3 -","- Al16 F24 H24 O24 -","8","0.0416667","","Fourquet, J L; Riviere, M; Le Bail, A; Nygrens, M; Grins, J","Crystal structure and protonic conductivity of pyrochlore phases Al~2~((O H)~1-x~ F~x~)~6~ . H~2~O and Al~2~((O H)~1-x~F~x~)~6~ (x=0.5)","European Journal of Solid State Inorganic Chemistry","1988","25","","535","540","","","","","","","0.0268","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000088","7.585","0.001","4.965","0.001","11.116","0.002","90","","106.96","0.01","90","","400.4","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dilithium terbium(IV) fluoride","","- F6 Li2 Tb -","- F6 Li2 Tb -","- F24 Li8 Tb4 -","4","1","","Laligant, Y; Le Bail, A; Ferey, G; Avignant, D; Cousseins, J C","Determination of the crystal structure of Li~2~ Tb F~6~ from X-ray and neutron powder diffraction. An example of lithium in five-fold coordination.","European Journal of Solid State Inorganic Chemistry","1988","25","","551","563","","","","","","","0.0372","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000089","7.56","0.001","4.934","0.001","11.066","0.001","90","","107.02","0.01","90","","394.7","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dilithium terbium(IV) fluoride","","- F6 Li2 Tb -","- F6 Li2 Tb -","- F24 Li8 Tb4 -","4","1","","Laligant, Y; Le Bail, A; Ferey, G; Avignant, D; Cousseins, J C","Determination of the crystal structure of Li~2~ Tb F~6~ from X-ray and neutron powder diffraction. An example of lithium in five-fold coordination.","European Journal of Solid State Inorganic Chemistry","1988","25","","551","563","","","","","","","0.0156","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000090","7.4059","0.0004","12.8771","0.0009","20.4282","0.0013","90","","90","","90","","1948.2","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Potassium pentafluoroferrate(III)","","- F5 Fe K2 -","- F5 Fe K2 -","- F80 Fe16 K32 -","16","2","","Le Bail, A; Desert, A; Fourquet, J L","Reinvestigation of the structure of K~2~FeF~5~","Journal of Solid State Chemistry","1990","84","","408","412","10.1016/0022-4596(90)90338-X","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000091","8.6633","0.0003","8.6633","0.0003","16.5252","0.0008","90","","90","","90","","1240.3","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Calcium lutetium fluoride (2.03/.97/7)","","- Ca2.028 F7 Lu0.972 -","- Ca2.0284 F7 Lu0.9716 -","- Ca20.284 F70 Lu9.716 -","10","0.625","","Laval, J P; Abaouz, A; Frit, B; Le Bail, A","Short-range order in the anion-excess fluorite-related Ca~0.68~Ln~0.32~F~2.32~ solid solutions: EXAFS study of the Ln^3+^ environment","Journal of Solid State Chemistry","1990","85","","133","143","10.1016/S0022-4596(05)80068-4","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000092","21.576","0.001","7.6081","0.0006","32.865","0.004","90","","109.24","","90","","5093.5","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Pentapotassium tetrachromium(II) hexachromium fluoride","","- Cr10 F31 K5 -","- Cr10 F31 K5 -","- Cr80 F248 K40 -","8","1","","Laligant, Y; Le Bail, A; Leblanc, M; Ferey, G","A new structure type in mixed valence fluorinated compounds: K~5~Cr~4~^2+^Cr~6~^3+^F~31~","Journal of Solid State Chemistry","1990","85","","151","158","10.1016/S0022-4596(05)80070-2","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000093","3.9041","0.0001","4.0397","0.0001","5.6473","0.0002","90","","90","","90","","89.1","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Samarium fluoride oxide (1/1.6/.7)","","- F1.6 O0.7 Sm -","- F1.6 O0.7 Sm -","- F3.2 O1.4 Sm2 -","2","0.25","","Laval, J P; Abaouz, A; Frit, B; Le Bail, A","Defect structure of the orthorhombic anion-excess fluorite related SmF~1.60~O~0.70~","European Journal of Solid State Inorganic Chemistry","1990","27","","545","555","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000094","7.13","0.001","4.791","0.001","8.825","0.002","90.16","0.01","102.13","0.01","94.19","0.01","293.9","","","","","","","","","","","","","3","P -1","-P 1","2","","Nickel divanadium oxide","","- Ni O6 V2 -","- Ni O6 V2 -","- Ni3 O18 V6 -","3","1.5","","Le Bail, A; Lafontaine, M A","Structure determination of NiV~2~O~6~ from X-ray powder diffraction : a rutile-ramsdellite intergrowth","European Journal of Solid State Inorganic Chemistry","1990","27","","671","680","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000095","13.723","0.005","6.314","0.002","16.139","0.004","90","","90","","90","","1398.4","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Sodium vanadium phosphate hydroxide (2.6/4/4/1)","","- H Na2.57 O18 P4 V4 -","- H Na2.57 O18 P4 V4 -","- H4 Na10.28 O72 P16 V16 -","4","0.5","","Le Bail, A; Leblanc, M; Amoros, P","Synthesis and crystal structure of Na~1+x~V~4~P~4~O~17~(OH) (x=1.44)","Journal of Solid State Chemistry","1990","87","","178","185","10.1016/0022-4596(90)90080-H","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000096","20.44","0.002","20.44","0.002","20.44","0.002","90","","90","","90","","8539.7","","","","","","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","Hexaamminechromium hexaaquanickel chloride ammonium chloride (1/1/5/.5/.5)","","- Cl5.5 Cr H32 N6.5 Ni O6 -","- Cl5.5 Cr H32 N6.5 Ni O6 -","- Cl88 Cr16 H512 N104 Ni16 O96 -","16","0.166667","","Moron, M C; Le Bail, A; Pons, J","The crystal and molecular structures of twinned (Cr(NH~3~)~6~)(Ni(H~2~O)~6~)Cl~5~ . 1/2(NH~4~Cl): a new complex bimetallic compound","Journal of Solid State Chemistry","1990","88","","498","504","10.1016/0022-4596(90)90246-T","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1000097","6.1791","0.0014","8.8786","0.0006","6.1655","0.0014","90","","90","","90","","338.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium trifluorocadmate - low","","- Cd F3 H4 N -","- Cd F3 H4 N -","- Cd4 F12 H16 N4 -","4","0.5","","Le Bail, A.; Fourquet, J. L.; Rubin, J.; Palacios, E.; Bartolome, J.","NH~4~CdF~3~: Structure of the low temperature phase","Physica B: Condensed Matter","1990","162","3","231","236","10.1016/0921-4526(90)90017-O","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1000098","18.303","0.001","5.3122","0.0002","9.42","0.0004","90","","90","","90","","915.9","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sodium strontium hexafluoroaluminate","","- Al F6 Na Sr -","- Al F6 Na Sr -","- Al8 F48 Na8 Sr8 -","8","2","","Hemon, A; Le Bail, A; Courbion, G","Synthesis and crystal structure of NaSrAlF~6~","European Journal of Solid State Inorganic Chemistry","1990","27","","905","912","","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000099","7.416","0.004","13.082","0.007","9.483","0.005","90","","90","","90","","920","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cobalt phosphinate chloride hydrate","","- Cl Co H4 O3 P -","- Cl Co H4 O3 P -","- Cl8 Co8 H32 O24 P8 -","8","1","","Marcos, M D; Ibanez, R; Amoros, P; Le Bail, A","Layer structure of (CoCl(H~2~PO~2~)) . H~2~O","Acta Crystallographica C (39,1983-)","1991","47","","1152","1155","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000100","9.32","0.001","9.32","0.001","3.9618","0.0005","90","","90","","120","","298","","","","","","","","","","","","","6","P -6 2 m","P -6 -2","189","","Dilead manganese diiron(III) fluoride trihydrate","","- F12 Fe2 H6 Mn O3 Pb2 -","- F12 Fe2.0001 H6 Mn0.9999 O3 Pb2 -","- F12 Fe2.0001 H6 Mn0.9999 O3 Pb2 -","1","0.0833333","","Le Bail, A; Mercier, A M","Structure of Pb~2~MnFe~2~F~12~(H~2~O)~2~","Acta Crystallographica C (39,1983-)","1992","48","","239","241","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:13",""
"1000101","7.531","0.001","7.516","0.001","7.7","0.002","90","","121.91","0.01","90","","370","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cobalt bis(hydrogenphosphate) dihydroxide","","- Co3 H4 O10 P2 -","- Co3 H4 O10 P2 -","- Co6 H8 O20 P4 -","2","0.5","","Pizarro, J L; Villeneuve, G; Hagenmuller, P; Le Bail, A","Synthesis, crystal structure, and magnetic properties of Co~3~(HPO~4~)~2~(OH)~2~ related to the mineral lazulite","Journal of Solid State Chemistry","1991","92","","273","285","10.1016/0022-4596(91)90335-F","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000102","7.5024","0.0002","7.4896","0.0002","7.6716","0.0002","90","","121.864","0.001","90","","366.1","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cobalt bis(hydrogenphosphate) dihydroxide","","- Co3 H4 O10 P2 -","- Co3 H8 O10 P2 -","- Co6 H16 O20 P4 -","2","0.5","","Pizarro, J L; Villeneuve, G; Hagenmuller, P; Le Bail, A","Synthesis, crystal structure, and magnetic properties of Co~3~(HPO~4~)~2~(OH)~2~ related to the mineral lazulite","Journal of Solid State Chemistry","1991","92","","273","285","10.1016/0022-4596(91)90335-F","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000103","12.343","0.002","7.152","0.001","22.679","0.004","90","","90","","90","","2002","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","Potassium calcium dialuminium fluoride","","- Al2 Ca F9 K -","- Al2 Ca F9 K -","- Al24 Ca12 F108 K12 -","12","1.5","","Hemon, A; Le Bail, A; Courbion, G","Crystal structure approach of KCaAl~2~F~9~. A new hexagonaltungsten- bronze related structure","European Journal of Solid State Inorganic Chemistry","1993","30","","415","426","","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000104","7.5318","0.0003","14.8674","0.0007","14.5732","0.0007","90","","90","","90","","1631.9","","","","","","","","","","","","","3","P n c 2","P 2 -2bc","30","","Tribarium aluminium fluoride - $-beta","","- Al Ba3 F9 -","- Al Ba3 F9 -","- Al8 Ba24 F72 -","8","2","","Le Bail, A","$-beta-Ba~3~AlF~9~, a complex structure determined from conventional X- ray powder diffraction","Journal of Solid State Chemistry","1993","103","","287","291","10.1006/jssc.1993.1102","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000105","20.181","0.003","5.625","0.001","9.438","0.002","90","","105","","90","","1034.9","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Octalead catena-fluorodiferrato(III)manganate(II) decafluoride","","- F24 Fe2 Mn Pb8 -","- F24 Fe2 Mn Pb8 -","- F48 Fe4 Mn2 Pb16 -","2","0.5","","Le Bail, A; Mercier, A M","Crystal structure of Pb~8~MnFe~2~F~24~","European Journal of Solid State Inorganic Chemistry","1992","29","","183","190","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000106","11.8101","0.0004","11.8101","0.0004","13.3741","0.0006","90","","90","","90","","1865.4","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","Caesium tetrafluoroaluminate - $-beta","","- Al Cs F4 -","- Al Cs F4 -","- Al20 Cs20 F80 -","20","1.25","","Bentrup, U; Le Bail, A; Duroy, H; Fourquet, J L","Polymorphism of CsAlF~4~.Synthesis and structure of two new crystalline forms","European Journal of Solid State Inorganic Chemistry","1992","29","","371","381","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000107","10.5576","0.0006","6.75","0.0004","17.5954","0.0009","90","","90","","90","","1253.9","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Caesium tetrafluoroaluminate - $-gamma","","- Al Cs F4 -","- Al Cs F4 -","- Al12 Cs12 F48 -","12","1.5","","Bentrup, U; Le Bail, A; Duroy, H; Fourquet, J L","Polymorphism of CsAlF~4~.Synthesis and structure of two new crystalline forms","European Journal of Solid State Inorganic Chemistry","1992","29","","371","381","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000108","7.8974","0.0003","7.9076","0.0003","14.7227","0.0004","90","","90","","90","","919.4","","","","","","","","","","","","","5","P n a m","-P 2c 2n","62","","Barium fluorodizirconate dihydrate","","- Ba F10 H4 O2 Zr2 -","- Ba F10 H4 O2 Zr2 -","- Ba4 F40 H16 O8 Zr8 -","4","0.5","","Gao, Y; Guery, J; Le Bail, A; Jacoboni, C","Synthesis,X-ray single-crystal structure determination and dehydration study of BaZr~2~F~10~ . 2H~2~O by X-ray powder thermodiffractometry","Journal of Solid State Chemistry","1992","98","","11","24","10.1016/0022-4596(92)90065-4","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000109","11.5418","0.0007","11.3437","0.0007","3.6733","0.0002","90","","90","","90","","480.9","","","","","","","","","","","","","5","P b a m","-P 2 2ab","55","","Dipotassium aquaoxonium nonafluorodialuminate","","- Al2 F9 H5 K2 O2 -","- Al2 F9 H1.25 K2 O2 -","- Al4 F18 H2.5 K4 O4 -","2","0.25","","Le Bail, A; Duroy, H; Fourquet, J L","Crystal structure and thermolysis of K~2~(H~5~O~2~)Al~2~F~9~","Journal of Solid State Chemistry","1992","98","","151","158","10.1016/0022-4596(92)90081-6","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000110","10.1843","0.0003","10.1843","0.0003","7.1738","0.0002","90","","90","","90","","744.1","","","","","","","","","","","","","2","P 4/n m m :2","-P 4a 2a","129","","Aluminium trifluoride - t","","- Al F3 -","- Al F3 -","- Al16 F48 -","16","1","","Le Bail, A; Fourquet, J L; Bentrup, U","t-AlF~3~: crystal structure determination from X-ray powder diffraction data. A new MX~3~ corner-sharing octahedra 3D network","Journal of Solid State Chemistry","1992","100","","151","159","10.1016/0022-4596(92)90165-R","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000111","9.7308","0.0002","4.2042","0.0001","11.0656","0.0002","90","","105.781","0.001","90","","435.6","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Octalithium dibismuth(V) palladium oxide","","- Bi2 Li8 O10 Pd -","- Bi2 Li8 O10 Pd -","- Bi4 Li16 O20 Pd2 -","2","0.25","","Laligant, Y; Le Bail, A","Synthesis and crystal structure of Li~8~Bi~2~PdO~10~ from X-ray powder diffraction data","European Journal of Solid State Inorganic Chemistry","1993","30","","689","698","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000112","9.7689","0.0006","2.9212","0.0002","4.6745","0.0004","90","","90","","90","","133.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hydrogen titanium oxide (0.6/0.9/2)","","- H0.572 O2 Ti0.858 -","- H0.5714 O2 Ti0.8571 -","- H2.2856 O8 Ti3.4284 -","4","0.5","","Le Bail, A; Fourquet, J L","Crystal structure and thermal behaviour of H~2~Ti~3~O~7~: a new defective ramsdellite form from Li^+^/H^+^ exchange on Li~2~Ti~3~O~7~","Materials Research Bulletin","1992","27","","75","85","10.1016/0025-5408(92)90045-2","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000113","6.83","0.001","9.233","0.002","8.817","0.002","90","","90","","90","","556","","","","","","","","","","","","","5","P b 21 a","P -2a -2ab","29","","Ammonium dioxovanadium hydrogenphosphate - $-alpha","","- H5 N O6 P V -","- H9 N O6 P V -","- H36 N4 O24 P4 V4 -","4","1","","Amoros, P; Le Bail, A","Synthesis and crystal structure of $-alpha-NH~4~(VO~2~)(HPO~4~)","Journal of Solid State Chemistry","1992","97","","283","291","10.1016/0022-4596(92)90035-T","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000114","18.863","0.004","18.863","0.002","7.636","0.002","90","","90","","120","","2353","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Potassium barium aluminium fluoride chloride (2.9/7.1/6/33/2)","","- Al6 Ba7.092 Cl2 F33 K2.908 -","- Al6 Ba7.092 Cl2 F33 K2.908 -","- Al18 Ba21.276 Cl6 F99 K8.724 -","3","0.25","","Le Bail, A; Hemon-Ribaud, A; Courbion, G","Synthesis and structure approach of K~3~Ba~7~Al~6~F~33~Cl~2~","Journal of Solid State Chemistry","1993","107","","234","244","10.1006/jssc.1993.1343","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000115","12.872","0.001","12.872","0.001","4.9772","0.0004","90","","90","","120","","714.2","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Zinc octakis(hydrogenphosphate(III)) hexahydroxide","","- H14 O30 P8 Zn11 -","- H20 O30 P8 Zn11.0004 -","- H20 O30 P8 Zn11.0004 -","1","0.0833333","","Marcos, M D; Amoros, P; Le Bail, A","Synthesis and crystal structure of a tubular hydroxyphosphite: Zn~11~(HPO~3~)~8~(OH)~6~","Journal of Solid State Chemistry","1993","107","","250","257","10.1006/jssc.1993.1345","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000116","11.609","0.008","3.6877","0.0002","9.629","0.006","90","","100.9","0.04","90","","404.8","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Thallium vanadium oxide (0.5/2/5)","","- O5 Tl0.5 V2 -","- O5 Tl0.5 V2 -","- O20 Tl2 V8 -","4","0.5","","Ganne, M; Jouanneaux, A; Tournoux, M; Le Bail, A","Structure and phase transitions of low-dimensional thallium vanadium bronze Tl~x~V~2~O~5~ (0.44<=x<=0.48)","Journal of Solid State Chemistry","1992","97","","186","198","10.1016/0022-4596(92)90024-P","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000117","9.946","0.005","2.778","0.002","7.26","0.005","90","","119.1","0.02","90","","175.3","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Trilithium tetraoxodicuprate","","- Cu2 Li3 O4 -","- Cu2 Li3 O4 -","- Cu4 Li6 O8 -","2","0.25","","Berger, R; Oennerud, P; Laligant, Y; Le Bail, A","The structure of Li3 Cu2 O4, a compound with formal mixed valence","Journal of Alloys Compd.","1993","190","","295","299","10.1016/0925-8388(93)90415-J","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000118","12.046","0.003","8.147","0.001","7.548","0.002","90","","121.83","0.02","90","","629.4","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Oxovanadium bis(dihydrogenphosphate(I)) hydrate","","- H6 O6 P2 V -","- H5 O6 P2 V -","- H20 O24 P8 V4 -","4","0.5","","Le Bail, A; Marcos, M D; Amoros, P","Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite","Inorganic Chemistry","1994","33","","2607","2613","10.1021/ic00090a021","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000119","12.179","0.004","8.096","0.001","7.638","0.003","90","","122.75","0.03","90","","633.4","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Oxovanadium bis(dihydrogenphosphate(I)) hydrate","","- H6 O6 P2 V -","- H5 O6 P2 V -","- H20 O24 P8 V4 -","4","0.5","","Le Bail, A; Marcos, M D; Amoros, P","Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite","Inorganic Chemistry","1994","33","","2607","2613","10.1021/ic00090a021","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000120","12.195","0.005","8.111","0.001","7.651","0.003","90","","122.69","0.03","90","","636.9","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Oxovanadium bis(dihydrogenphosphate(I)) hydrate","","- H6 O6 P2 V -","- H8 O6 P2 V -","- H32 O24 P8 V4 -","4","0.5","","Le Bail, A; Marcos, M D; Amoros, P","Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite","Inorganic Chemistry","1994","33","","2607","2613","10.1021/ic00090a021","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000121","12.262","0.008","8.069","0.002","7.702","0.005","90","","123.34","0.05","90","","636.6","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Oxovanadium bis(dihydrogenphosphate(I)) hydrate","","- H6 O6 P2 V -","- H5 O6 P2 V -","- H20 O24 P8 V4 -","4","0.5","","Le Bail, A; Marcos, M D; Amoros, P","Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite","Inorganic Chemistry","1994","33","","2607","2613","10.1021/ic00090a021","","","","","","0.082","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000122","9.532","0.001","7.901","0.001","11.398","0.001","90","","93.45","0.01","90","","856.9","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Barium catena-pentafluoroferrate(III) - α'","","- Ba F5 Fe -","- Ba F5 Fe -","- Ba8 F40 Fe8 -","8","2","","Le Bail, A.; Mercier, A. M.","Helical octahedral cis chains in α'-BaFeF~5~","European Journal of Solid State and Inorganic Chemistry","1995","32","","15","24","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","200144","2020-10-21","18:00:00",""
"1000123","9.539","0.0003","9.539","0.0003","17.1411","0.0005","90","","90","","90","","1559.7","","","","","","","","","","","","","4","P 41 2 2","P 4w 2c","91","","Iron vanadium molybdenum oxide (4/1.98/3.02/20)","","- Fe4 Mo3.02 O20 V1.98 -","- Fe4 Mo3.02 O20 V1.98 -","- Fe16 Mo12.08 O80 V7.92 -","4","0.5","","Laligant, Y; Permer, L; Le Bail, A","Crystal structure of Fe4 V2 Mo3 O20 determined from conventional X-ray powder diffraction data","European Journal of Solid State Inorganic Chemistry","1995","32","","325","334","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000124","5.5703","0.0001","6.6741","0.0001","7.9032","0.0002","96.174","0.001","90.26","0.001","101.273","0.001","286.4","","","","","","","","","","","","","4","P -1","-P 1","2","","Iron(III) vanadium molybdenum oxide","","- Fe Mo O7 V -","- Fe Mo O7 V -","- Fe2 Mo2 O14 V2 -","2","1","","Le Bail, A; Permer, L; Laligant, Y","Structure of Fe V Mo O7","European Journal of Solid State Inorganic Chemistry","1995","32","","883","892","","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000125","5.0424","0.0001","5.0424","0.0001","6.1564","0.0001","90","","90","","90","","156.5","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Potassium tetrafluoroaluminate - II","","- Al F4 K -","- Al F4 K -","- Al2 F8 K2 -","2","0.125","","Gibaud, A; Le Bail, A; Bulou, A","A re-investigation of the room-temperature phase of K Al F4: evidence of antiphase domains","Journal of Physics C","1986","19","","4623","4633","10.1088/0022-3719/19/24/007","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000126","5.0431","0.0001","5.0431","0.0001","6.1567","0.0001","90","","90","","90","","156.6","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Potassium tetrafluoroaluminate - II","","- Al F4 K -","- Al F4 K -","- Al2 F8 K2 -","2","0.125","","Gibaud, A; Le Bail, A; Bulou, A","A re-investigation of the room-temperature phase of K Al F4: evidence of antiphase domains","Journal of Physics C","1986","19","","4623","4633","10.1088/0022-3719/19/24/007","","","","","","0.0311","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000127","5.0432","0.0001","5.0432","0.0001","6.1573","0.0001","90","","90","","90","","156.6","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Potassium tetrafluoroaluminate - I","","- Al F4 K -","- Al F4 K -","- Al2 F8 K2 -","2","0.125","","Gibaud, A; Le Bail, A; Bulou, A","A re-investigation of the room-temperature phase of K Al F4: evidence of antiphase domains","Journal of Physics C","1986","19","","4623","4633","10.1088/0022-3719/19/24/007","","","","","","0.0458","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000128","7.771","0.003","11.578","0.001","11.852","0.004","90","","105.5","0.04","90","","1027.6","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraamminepalladium dichromate","","- Cr2 H12 N4 O7 Pd -","- Cr2 H12 N4 O7 Pd -","- Cr8 H48 N16 O28 Pd4 -","4","1","","Laligant, Y; Le Bail, A","Structure of (Pd (N H3)4) Cr2 O7","Powder Diffraction","1995","10","3","159","164","10.1017/S0885715600014640","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1000129","13.7168","0.0003","5.6054","0.0002","4.9329","0.0001","90","","90","","90","","379.3","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Barium catena-pentafluoroaluminate - α","","- Al Ba F5 -","- Al Ba F5 -","- Al4 Ba4 F20 -","4","1","","Le Bail, A.; Ferey, G.; Mercier, A.-M.; de Kozak, A.; Samouel, M.","Structure determination of β- and γ-BaAlF~5~ by X-ray and neutron powder diffraction: a model for the α→ β ←→ γ transitions","Journal of Solid State Chemistry","1990","89","","282","291","10.1016/0022-4596(90)90269-4","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","189449","2020-10-21","18:00:00",""
"1000130","5.1517","0.0001","19.56659","0.0004","7.5567","0.0002","90","","92.426","0.001","90","","761","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Barium catena-pentafluoroaluminate - β","","- Al Ba F5 -","- Al Ba F5 -","- Al8 Ba8 F40 -","8","2","","Le Bail, A.; Ferey, G.; Mercier, A.-M.; de Kozak, A.; Samouel, M.","Structure determination of β- and γ-BaAlF~5~ by X-ray and neutron powder diffraction: a model for the α→ β ←→ γ transitions","Journal of Solid State Chemistry","1990","89","","282","291","10.1016/0022-4596(90)90269-4","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","189449","2020-10-21","18:00:00",""
"1000131","5.2584","0.0001","9.7298","0.0002","7.3701","0.0002","90","","90.875","0.001","90","","377","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Barium catena-pentafluoroaluminate - γ","","- Al Ba F5 -","- Al Ba F5 -","- Al4 Ba4 F20 -","4","2","","Le Bail, A.; Ferey, G.; Mercier, A.-M.; de Kozak, A.; Samouel, M.","Structure determination of β- and γ-BaAlF~5~ by X-ray and neutron powder diffraction: a model for the α→ β ←→ γ transitions","Journal of Solid State Chemistry","1990","89","","282","291","10.1016/0022-4596(90)90269-4","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","189449","2020-10-21","18:00:00",""
"1000132","13.193","0.002","7.499","0.001","19.83899","0.003","90","","91.69","0.01","90","","1961.9","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Barium hexafluorozirconate hydrate (1/1/0.04) - γ","","- Ba F6 H0.075 O0.0375 Zr -","- Ba F6 H0.075 O0.0375 Zr -","- Ba16 F96 H1.2 O0.6 Zr16 -","16","2","","Le Bail, A.; Mercier, A. M.","Synthesis and crystal structure of γ-BaZrF~6~","Journal of Solid State Chemistry","1992","101","","229","236","10.1016/0022-4596(92)90179-Y","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","189451","2020-10-21","18:00:00",""
"1000133","5.0036","0.0003","10.6073","0.0007","11.7223","0.0008","90","","90","","90","","622.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Palladium nitrate(V) dihydrate","","- H4 N2 O8 Pd -","- H4 N2 O8 Pd -","- H16 N8 O32 Pd4 -","4","0.5","","Laligant, Y; Ferey, G; Le Bail, A","Crystal structure of Pd (N O3)2 (H2 O)2","Materials Research Bulletin","1991","26","","269","275","10.1016/0025-5408(91)90021-D","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1000134","10.176","0.0001","10.176","0.0001","8.4121","0.0001","90","","90","","120","","754.4","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Barium pentoxomercuroruthenate(VI)","","- Ba Hg O5 Ru -","- Ba Hg O5 Ru -","- Ba6 Hg6 O30 Ru6 -","6","0.5","","Hansen, T; Le Bail, A; Laligant, Y","Synthesis and structure approach of barium-oxomercurato(II)- oxoruthenate(VI) Ba Hg Ru O5","Journal of Solid State Chemistry","1995","120","","223","230","10.1006/jssc.1995.1402","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000135","7.655","0.001","10.313","0.001","10.255","0.001","90","","90","","90","","809.6","","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","Pentastrontium trizirconium fluoride","","- F22 Sr5 Zr3 -","- F22 Sr5 Zr3 -","- F44 Sr10 Zr6 -","2","0.5","","Le Bail, A","Structure of Sr5 Zr3 F22 determined from an inversion twinned crystal","European Journal of Solid State Inorganic Chemistry","1996","33","","1211","1222","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000136","7.1362","0.0002","9.9084","0.0003","12.9414","0.0004","90","","90","","90","","915.1","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dipotassium tecto-titanotrisilicate hydrate","","- H2 K2 O10 Si3 Ti -","- H2 K2 O10 Si3 Ti -","- H8 K8 O40 Si12 Ti4 -","4","1","","Dadachov, M S; Le Bail, A","Structure of zeolitic K2 Ti Si3 O9 . (H2 O) determined ab initio from powder diffraction data","European Journal of Solid State Inorganic Chemistry","1997","34","","381","390","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000137","10.606","0.004","5.874","0.001","7.213","0.003","90","","94.9","0.03","90","","447.7","","","","","","","","","","","","synthetic","4","C 1 2/m 1","-C 2y","12","","Tricopper divanadate dihydroxide dihydrate","Volborthite","- Cu3 H6 O11 V2 -","- Cu3 H6 O11 V2 -","- Cu6 H12 O22 V4 -","2","0.25","","Lafontaine, M A; Le Bail, A; Ferey, G","Copper-containing minerals-I.Cu3 V2 O7 (O H)2 . 2(H2 O): the synthetic homolog of volborthite; crystal structure determination from X-ray and neutron data; structural correlations","Journal of Solid State Chemistry","1990","85","","220","227","10.1016/S0022-4596(05)80078-7","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","287513","2023-11-10","13:23:43",""
"1000138","10.607","0.005","5.864","0.004","7.214","0.006","90","","94.88","0.04","90","","447.1","","","","","","","","","","","","synthetic","4","C 1 2/m 1","-C 2y","12","","Copper divanadate dihydroxide dihydrate","Volborthite","- Cu3 H6 O11 V2 -","- Cu3 H10 O11 V2 -","- Cu6 H20 O22 V4 -","2","0.25","","Lafontaine, M A; Le Bail, A; Ferey, G","Copper-containing minerals-I.Cu3 V2 O7 (O H)2 . 2(H2 O): the synthetic homolog of volborthite; crystal structure determination from X-ray and neutron data; structural correlations","Journal of Solid State Chemistry","1990","85","","220","227","10.1016/S0022-4596(05)80078-7","","","","","","0.093","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000139","10.0626","0.0006","5.807","0.0001","4.9788","0.0003","90","","103.359","0.007","90","","283.1","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Barium gallium pentafluoride dihydrate","","- Ba F5 Ga H4 O2 -","- Ba F5 Ga H4 O2 -","- Ba2 F10 Ga2 H8 O4 -","2","0.5","","Jouanneaux, A; Le Bail, A","Structure of Ba Ga F5 . 2(H2 O) from conventional and synchrotron powder diffraction data","European Journal of Solid State Inorganic Chemistry","1997","34","","925","936","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000140","9.0652","0.0003","7.1468","0.0002","5.47","0.0002","90","","98.782","0.001","90","","350.2","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Disodium calcium bis(hydrogenphosphate(V))","","- Ca H2 Na2 O8 P2 -","- Ca H2 Na2 O8 P2 -","- Ca2 H4 Na4 O16 P4 -","2","1","","Ben Chaabane, T; Smiri-Dogguy, L; Laligant, Y; Le Bail, A","Structure of Na2 Ca (H P O4)2 determined ab initio from conventional powder diffraction data","European Journal of Solid State Inorganic Chemistry","1997","34","","937","946","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000141","4.9005","0.0002","8.4892","0.0003","5.1816","0.0002","90","","90","","90","","215.6","","","","","","","","","","","","","3","P n c n","-P 2ab 2n","52","","Lithium antimony(V) oxide","","- Li O3 Sb -","- Li O3 Sb -","- Li4 O12 Sb4 -","4","0.5","","Fourquet, J L; Gillet, P A; Le Bail, A","Li+ / H+ topotactic exchange on Li Sb O3: The series Li(1-x) Hx Sb O3 (0<=x<=1).","Materials Research Bulletin","1989","24","","1207","1214","10.1016/0025-5408(89)90195-5","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000142","4.726","0.0005","8.659","0.001","5.2306","0.0006","90","","90","","90","","214","","","","","","","","","","","","","4","P n c n","-P 2ab 2n","52","","Lithium hydrogen antimony oxide (0.4/0.6/1/3)","","- H0.6 Li0.4 O3 Sb -","- H0.6 Li0.4 O3 Sb -","- H2.4 Li1.6 O12 Sb4 -","4","0.5","","Fourquet, J L; Gillet, P A; Le Bail, A","Li+ / H+ topotactic exchange on Li Sb O3: The series Li(1-x) Hx Sb O3 (0<=x<=1).","Materials Research Bulletin","1989","24","","1207","1214","10.1016/0025-5408(89)90195-5","","","","","","0.0992","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000143","5.2526","0.0003","4.7331","0.0003","8.6322","0.0006","90","","90.8","0.5","90","","214.6","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Lithium hydrogen antimony oxide (0.3/0.7/1/3)","","- H0.67 Li0.33 O3 Sb -","- H1.335 Li0.165 O3 Sb -","- H5.34 Li0.66 O12 Sb4 -","4","1","","Fourquet, J L; Gillet, P A; Le Bail, A","Li+ / H+ topotactic exchange on Li Sb O3: The series Li(1-x) Hx Sb O3 (0<=x<=1).","Materials Research Bulletin","1989","24","","1207","1214","10.1016/0025-5408(89)90195-5","","","","","","0.1072","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000144","7.308","0.003","12.559","0.005","7.64","0.003","90","","93.06","0.02","90","","700.2","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Sodium lead diiron(III) fluoride","","- F9 Fe2 Na Pb -","- F9 Fe2 Na Pb -","- F36 Fe8 Na4 Pb4 -","4","0.5","","Le Bail, A","Structure determination of Na Pb Fe2 F9 by x-ray powder diffraction","Journal of Solid State Chemistry","1989","83","","267","271","10.1016/0022-4596(89)90176-X","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000145","6.3089","0.0004","20.10379","0.0008","5.1172","0.0005","90","","91.134","0.006","90","","648.9","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","Pentasodium phyllo-triphosphatodivanadate(IV) hydrate","","- H2 Na5 O15 P3 V2 -","- H2 Na5 O15 P3 V2 -","- H4 Na10 O30 P6 V4 -","2","0.5","","Le Bail, A","On the structure of Na5 V2 P3 O14 . (H2 O)","Journal of Solid State Chemistry","1993","102","","281","282","10.1006/jssc.1993.1033","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:24",""
"1000146","12.046","0.006","6.984","0.004","7.093","0.004","90","","125.04","0.04","90","","488.6","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dirubidium sodium tris(tetrafluoroaluminate)","","- Al3 F12 Na Rb2 -","- Al3 F12 Na Rb2 -","- Al6 F24 Na2 Rb4 -","2","0.5","","Le Bail, A.; Gao, Y.; Fourquet, J. L.; Jacoboni, C. J.","Structure determination of A2 Na Al3 F12 (A= K, Rb)","Materials Research Bulletin","1990","25","","831","839","10.1016/0025-5408(90)90059-B","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000147","11.882","0.007","6.983","0.004","6.942","0.004","90","","125.59","0.03","90","","670.8","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dipotassium sodium tris(tetrafluoroaluminate)","","- Al3 F12 K2 Na -","- Al3 F12 K2 Na -","- Al6 F24 K4 Na2 -","2","0.5","","Le Bail, A.; Gao, Y.; Fourquet, J. L.; Jacoboni, C. J.","Structure determination of A2 Na Al3 F12 (A= K, Rb)","Materials Research Bulletin","1990","25","","831","839","10.1016/0025-5408(90)90059-B","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000148","7.9911","0.0003","17.03189","0.0006","5.3208","0.0002","90","","99.433","0.001","90","","714.4","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Hexalithium cyclo-hexaphosphate","","- Li6 O18 P6 -","- Li6 O18 P6 -","- Li12 O36 P12 -","2","0.5","","Ben-Chaabane, T.; Smiri-Dogguy, L.; Laligant, Y.; Le Bail, A.","Li~6~P~6~O~18~: X-ray powder structure determination of lithium cyclohexaphosphate","European Journal of Solid State and Inorganic Chemistry","1998","35","3","255","264","10.1016/S0992-4361(98)80006-4","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:02",""
"1000149","8.7423","0.0003","5.1927","0.0002","20.35139","0.0009","90","","91.499","0.002","90","","923.6","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium calcium hexafluoroaluminate - α","","- Al Ca F6 Na -","- Al Ca F6 Na -","- Al8 Ca8 F48 Na8 -","8","2","","Le Bail, A.; Hemon-Ribaud, A.; Courbion, G.","Structure of α-NaCaAlF~6~ determined ab initio from conventional powder diffraction data","European Journal of Solid State and Inorganic Chemistry","1998","35","3","265","272","10.1016/S0992-4361(98)80007-6","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","182183","2020-10-21","18:00:00",""
"1000150","9.7401","0.0001","5.6147","0.0001","11.8871","0.0001","90","","90","","90","","650.1","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dibarium zirconium fluoride - α","","- Ba2 F8 Zr -","- Ba2 F8 Zr -","- Ba8 F32 Zr4 -","4","0.5","","Le Bail, A.; Laval, J.-P.","Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data","European Journal of Solid State and Inorganic Chemistry","1998","35","4-5","357","372","10.1016/S0992-4361(98)80432-3","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","182183","2020-10-21","18:00:00",""
"1000151","9.7426","0.0003","5.6157","0.0002","11.8877","0.0003","90","","90","","90","","650.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dibarium zirconium fluoride - α","","- Ba2 F8 Zr -","- Ba2 F8 Zr -","- Ba8 F32 Zr4 -","4","0.5","","Le Bail, A.; Laval, J.-P.","Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data","European Journal of Solid State and Inorganic Chemistry","1998","35","4-5","357","372","10.1016/S0992-4361(98)80432-3","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","182183","2020-10-21","18:00:00",""
"1000152","9.7401","0.0002","5.6167","0.0001","11.8839","0.0003","90","","90","","90","","650.1","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dibarium zirconium fluoride - α","","- Ba2 F8 Zr -","- Ba2 F8 Zr -","- Ba8 F32 Zr4 -","4","0.5","","Le Bail, A.; Laval, J.-P.","Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data","European Journal of Solid State and Inorganic Chemistry","1998","35","4-5","357","372","10.1016/S0992-4361(98)80432-3","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","182183","2020-10-21","18:00:00",""
"1000153","9.7472","0.0002","5.6173","0.0001","11.8995","0.0003","90","","90","","90","","651.5","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dibarium zirconium fluoride - α","","- Ba2 F8 Zr -","- Ba2 F8 Zr -","- Ba8 F32 Zr4 -","4","0.5","","Le Bail, A.; Laval, J.-P.","Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data","European Journal of Solid State and Inorganic Chemistry","1998","35","4-5","357","372","10.1016/S0992-4361(98)80432-3","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","182183","2020-10-21","18:00:00",""
"1000154","10.08","0.0003","5.3262","0.0001","11.6637","0.0003","90","","90","","90","","626.2","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dilead zirconium fluoride","","- F8 Pb2 Zr -","- F8 Pb2 Zr -","- F32 Pb8 Zr4 -","4","0.5","","Le Bail, A.; Laval, J.-P.","Synthesis and crystal structure of α-Ba~2~ZrF~8~ and Pb~2~ZrF~8~ determined ab initio from synchrotron and neutron powder diffraction data","European Journal of Solid State and Inorganic Chemistry","1998","35","4-5","357","372","10.1016/S0992-4361(98)80432-3","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","182183","2020-10-21","18:00:00",""
"1000155","5.409","0.002","5.409","0.002","8.6","0.001","90","","90","","120","","217.9","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Lanthanum nickel deuteride (1/5/7)","","- D7 La Ni5 -","- D7 La Ni5 -","- D14 La2 Ni10 -","2","0.166667","","Lartigue, C; Le Bail, A; Percheron Guegan, A","A new study of the structure of La Ni5 D6.7 using a modified Rietveld method for the refinement of neutron powder diffraction data","Journal of the Less-Common Metals","1987","129","","65","76","10.1016/0022-5088(87)90034-8","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000156","5.409","0.002","5.409","0.002","8.6","0.001","90","","90","","120","","217.9","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Lanthanum nickel deuteride (1/5/7)","","- D7 La Ni5 -","- D7 La Ni5 -","- D14 La2 Ni10 -","2","0.166667","","Lartigue, C; Le Bail, A; Percheron Guegan, A","A new study of the structure of La Ni5 D6.7 using a modified Rietveld method for the refinement of neutron powder diffraction data","Journal of the Less-Common Metals","1987","129","","65","76","10.1016/0022-5088(87)90034-8","","","","","","0.0718","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000157","8.993","0.001","8.993","0.001","5.003","0.001","90","","90","","120","","350.4","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","MANGANESE SODIUM HEXAFLUOROCHROMATE(III)","","- Cr F6 Mn Na -","- Cr F6 Mn Na -","- Cr3 F18 Mn3 Na3 -","3","0.5","","Courbion, G; Jacoboni, C; de Pape, R","La structure cristalline de Na Mn Cr F~6~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1405","1408","10.1107/S0567740877006177","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000158","8.586","0.005","6.291","0.003","7.381","0.004","90","","115.46","0.07","90","","360","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","MANGANESE CATENA-PENTAFLUOROCHROMATE(III)","","- Cr F5 Mn -","- Cr F5 Mn -","- Cr4 F20 Mn4 -","4","0.5","","Ferey, G; de Pape, R; Poulain, M; Grandjean, D; Hardy, A","La structure cristalline de Mn Cr F~5~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1409","1413","10.1107/S0567740877006189","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000159","8.856","0.005","6.291","0.003","7.381","0.004","90","","115.46","0.07","90","","371.3","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Manganese catena-pentafluorochromate(III)","","- Cr F5 Mn -","- Cr F5 Mn -","- Cr4 F20 Mn4 -","4","0.5","","Ferey, G; de Pape, R; Boucher, B","Structure magnetique du fluorure antiferromagnetique Mn Cr F~5~","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1084","1091","10.1107/S0567740878004975","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000160","8.856","0.005","6.291","0.003","7.381","0.004","90","","115.46","0.07","90","","371.3","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Chromium manganese fluoride","","- Cr F5 Mn -","- Cr F5 Mn -","- Cr4 F20 Mn4 -","4","0.5","","Ferey, G; de Pape, R; Boucher, B","Structure cristalline du fluorure antiferromagnetique Mn Cr F~5~","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1084","1091","10.1107/S0567740878004975","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000161","7.515","0.005","5.724","0.005","11.985","0.006","90","","90","","90","","515.5","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rubidium pentafluorochromate(III)","","- Cr F5 Rb2 -","- Cr F5 Rb2 -","- Cr4 F20 Rb8 -","4","0.5","","Jacoboni, C; de Pape, R; Poulain, M; le Marouille, J Y; Grandjean, D","La structure cristalline de Rb~2~ Cr F~5~","Acta Crystallographica B (24,1968-38,1982)","1974","30","","2688","2691","10.1107/S0567740874007813","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000162","12.75","0.002","12.637","0.002","3.986","0.002","90","","90","","90","","642.2","","","","","","","","","","","","","3","P b a 2","P 2 -2ab","32","","Potassium iron fluoride (0.6/1/3)","","- F3 Fe K0.6 -","- F3 Fe K0.6 -","- F30 Fe10 K6 -","10","2.5","","Hardy, A.-M.; Hardy, A.; Ferey, G.","Structure cristalline du bronze pseudo-quadratique K~0.6~ Fe F~3~: Transition pyrochlore-quadratique pour les composes K M M'~6~","Acta Crystallographica B (24,1968-38,1982)","1973","29","8","1654","1658","10.1107/S0567740873005200","","","","","","0.107","","","","","","","","","","","","","","","has coordinates","188477","2020-10-21","18:00:00",""
"1000163","10.506","0.003","10.506","0.003","10.506","0.003","90","","90","","90","","1159.6","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium diniobium pentaoxide fluoride","","- F Nb2 O5 Tl -","- F1.02 Nb2 O4.98 Tl -","- F8.16 Nb16 O39.84 Tl8 -","8","0.0416667","","Fourquet, J L; Jacoboni, C; de Pape, R","Localisation des ions mobiles Tl(I) dans le conducteur ionique Tl Nb~2~ O~5~ F de type pyrochlore","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1570","1573","10.1107/S0567740879007159","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000164","7.31","0.003","7.31","","7.31","","57.43","0.1","57.43","","57.43","","259.9","","","","","","","","","","","","","4","R -3 m :R","-P 3* 2","166","","Caesium sodium aluminium fluoride (1/.5/1.5/6)","","- Al1.5 Cs F6 Na0.5 -","- Al1.5 Cs F6 Na0.5 -","- Al3 Cs2 F12 Na -","2","0.166667","","Courbion, G; Jacoboni, C; de Pape, R","Ordre cationique 0.333 dans les pyrochlores: A(I) (M(I)~0.5~ Al~1.5~) F~6~ (M= Li, Na, K, Rb)","Materials Research Bulletin","1974","9","","425","434","10.1016/0025-5408(74)90210-4","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000165","7.106","0.003","7.106","","7.106","","58.8","0.1","58.8","","58.8","","246.8","","","","","","","","","","","","","4","R -3 m :R","-P 3* 2","166","","Caesium lithium aluminium fluoride (1/.5/1.5/6)","","- Al1.5 Cs F6 Li0.5 -","- Al1.5 Cs F6 Li0.5 -","- Al3 Cs2 F12 Li -","2","0.166667","","Courbion, G; Jacoboni, C; de Pape, R","Ordre cationique 0.333 dans les pyrochlores: A(I) (M(I)~0.5~ Al~1.5~) F~6~ (M= Li, Na, K, Rb)","Materials Research Bulletin","1974","9","","425","434","10.1016/0025-5408(74)90210-4","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000166","5.043","0.002","5.043","0.002","6.164","0.006","90","","90","","90","","156.8","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Potassium tetrafluoroaluminate","","- Al F4 K -","- Al F4 K -","- Al2 F8 K2 -","2","0.125","","Mouet, J; Pannetier, J; Fourquet, J L","The Room-Temperature Structure of Potassium Tetrafluoroaluminate","Acta Crystallographica B (24,1968-38,1982)","1981","37","","32","34","10.1107/S0567740881002136","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000167","4.63","0.005","4.63","0.005","8.935","0.01","90","","90","","90","","191.5","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Lithium hexafluorotitanate","","- F6 Li2 Ti -","- F6 Li2 Ti -","- F12 Li4 Ti2 -","2","0.125","","Portier, J; Tressaud, A; Menil, F; Claverie, J; de Pape, R; Hagenmueller, P","Sur quelques composes fluores a structure rutile et trirutile","Journal of Solid State Chemistry","1969","1","","100","102","10.1016/0022-4596(69)90014-0","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000168","18.542","0.007","5.958","0.002","7.821","0.003","90","","111.92","0.1","90","","801.5","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Dibarium decafluorotriniccolate","","- Ba2 F10 Ni3 -","- Ba2 F10 Ni3 -","- Ba8 F40 Ni12 -","4","0.5","","Leblanc, M; Ferey, G; de Pape, R","Crystal Structure and Magnetic Properties of Ba~2~ Ni~3~ F~10~","Journal of Solid State Chemistry","1980","33","","317","324","10.1016/0022-4596(80)90152-8","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000169","10.506","0.003","10.506","0.003","10.506","0.003","90","","90","","90","","1159.6","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium diniobium pentaoxide fluoride","","- F Nb2 O5 Tl -","- F1.0002 Nb2 O4.9998 Tl -","- F8.0016 Nb16 O39.9984 Tl8 -","8","0.0416667","","Ory, G; Fourquet, J L; Jacoboni, C; Miranday, J P; de Pape, R","Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~ (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallohraphique dans le cas du thallium","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1971","273","","747","750","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000170","10.365","0.003","10.365","0.003","10.365","0.003","90","","90","","90","","1113.5","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium titanium niobium tetraoxide difluoride","","- F2 Nb O4 Ti Tl -","- F1.9998 Nb O4.0002 Ti Tl -","- F15.9984 Nb8 O32.0016 Ti8 Tl8 -","8","0.0416667","","Ory, G; Fourquet, J L; Jacoboni, C; Miranday, J P; de Pape, R","Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~ (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallographiques dans le cas du thallium","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1971","273","","747","750","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000171","10.241","0.003","10.241","0.003","10.241","0.003","90","","90","","90","","1074.1","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium titanium tungsten pentaoxide fluoride","","- F O5 Ti Tl W -","- F1.0002 O4.9998 Ti Tl W -","- F8.0016 O39.9984 Ti8 Tl8 W8 -","8","0.0416667","","Ory, G; Fourquet, J L; Jacoboni, C; Miranday, J P; de Pape, R","Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~ (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallographiques dans le cas du thallium","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1971","273","","747","750","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000172","10.492","0.003","10.492","0.003","10.492","0.003","90","","90","","90","","1155","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rubidium diniobium pentaoxide fluoride","","- F Nb2 O5 Rb -","- F1.0002 Nb2 O4.9998 Rb -","- F8.0016 Nb16 O39.9984 Rb8 -","8","0.0416667","","Ory, G; Fourquet, J L; Jacoboni, C; Miranday, J P; de Pape, R","Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~ (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallographiques dans le cas du thallium","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1971","273","","747","750","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000173","10.525","0.003","10.525","0.003","10.525","0.003","90","","90","","90","","1165.9","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Caesium diniobium pentaoxide fluoride","","- Cs F Nb2 O5 -","- Cs F1.0002 Nb2 O4.9998 -","- Cs8 F8.0016 Nb16 O39.9984 -","8","0.0416667","","Ory, G; Fourquet, J L; Jacoboni, C; Miranday, J P; de Pape, R","Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~ (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallographiques dans le cas du thallium","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1971","273","","747","750","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000174","7.045","0.004","7.454","0.004","10.116","0.006","90","","90","","90","","531.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium iron iron(III) fluoride","","- F6 Fe2 H4 N -","- F6 Fe2 H4 N -","- F24 Fe8 H16 N4 -","4","0.5","","Ferey, G; le Blanc, M; de Pape, R","Crystal Structure of the Ordered Pyrochlore N H~4~ Fe(II) Fe(III) F~6~ Structural Correlations with Fe~2~ F~5~ (H~2~ O)~2~ and Its Dehydration Product Fe~2~ F~5~ H~2~ O","Journal of Solid State Chemistry","1981","40","","1","7","10.1016/0022-4596(81)90352-2","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000175","11.666","0.005","11.666","0.005","12.551","0.006","90","","90","","90","","1708.1","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","Rubidium aluminium tetrafluoride - β","","- Al F4 Rb -","- Al F4 Rb -","- Al20 F80 Rb20 -","20","1.25","","Fourquet, J. L.; Plet, F.; de Pape, R.","RbAlF~4~: Structure of Its β Metastable Form and Description of the Mechanism of Its Irreversible and Topotactic Phase Transition β →α","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","9","1997","2000","10.1107/S0567740880007790","","","","","","0.0178","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1000176","12.607","0.003","12.607","0.003","12.607","0.003","90","","90","","90","","2003.7","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Trisodium trilithium scandium dodecafluoride","","- F12 Li3 Na3 Sc2 -","- F12 Li3 Na3 Sc2 -","- F96 Li24 Na24 Sc16 -","8","0.0833333","","de Pape, R; Portier, J; Grannec, J; Gauthier, G; Hagenmueller, P","Sur quelques nouveaux grenats fluores.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","1120","1121","","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000177","12.693","0.003","12.693","0.003","12.693","0.003","90","","90","","90","","2045","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Trisodium trilithium indium dodecafluoride","","- F12 In2 Li3 Na3 -","- F12 In2 Li3 Na3 -","- F96 In16 Li24 Na24 -","8","0.0833333","","de Pape, R; Portier, J; Grannec, J; Gauthier, G; Hagenmueller, P","Sur quelques nouveaux grenats fluores.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","1120","1121","","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000178","4.673","0.005","4.673","0.005","9.29","0.02","90","","90","","90","","202.9","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Lithium iron iron(III) hexafluoride","","- F6 Fe2 Li -","- F6 Fe2 Li -","- F12 Fe4 Li2 -","2","0.125","","Portier, J; Tressaud, A; de Pape, R; Hagenmueller, P","Etude cristallographique et magnetique d'un fluorure inedit de type trirutile","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","267","","1711","1713","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000179","5.372","0.002","5.372","0.002","5.372","0.002","58.85","0.05","58.85","0.05","58.85","0.05","106.7","","","","","","","","","","","","","3","R -3 c :R","-P 3* 2n","167","","Sodium iron fluoride (.11/1/3)","","- F3 Fe Na0.11 -","- F3 Fe Na0.11 -","- F6 Fe2 Na0.22 -","2","0.166667","","de Pape, R; Tressaud, A; Portier, J","Sur de nouvelles series de bronzes fluores de composition M~x~ Fe F~3~ (M = Na, Rb, Tl)","Materials Research Bulletin","1968","3","","753","758","10.1016/0025-5408(68)90043-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000180","9.017","0.004","5.013","0.002","9.841","0.004","90","","90","","90","","444.8","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Trilithium iron(III) antimonate","","- Fe Li3 O8 Sb2 -","- Fe Li3 O8 Sb2 -","- Fe3 Li9 O24 Sb6 -","3","0.375","","Lacorre, P; Hervieu, M; Raveau, B","Existence de la Structure Triramsdellite: Li~3~ Fe Sb~2~ O~8~","Materials Research Bulletin","1984","19","","693","699","10.1016/0025-5408(84)90024-2","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000181","9.353","0.005","9.353","0.005","7.241","0.006","90","","90","","90","","633.4","","","","","","","","","","","","","5","I 4 c m","I 4 -2c","108","","Mercury(I) pentafluoroaluminate dihydrate","","- Al F5 H4 Hg2 O2 -","- Al F5 H4 Hg2 O2 -","- Al4 F20 H16 Hg8 O8 -","4","0.25","","Fourquet, J L; Plet, F; de Pape, R","The Structure of Dimercury(I) Aluminium(III) Fluoride Dihydrate","Acta Crystallographica B (24,1968-38,1982)","1981","37","","2136","2138","10.1107/S0567740881008236","","","","","","0.0365","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:27",""
"1000182","5.0875","0.0001","5.0875","0.0001","12.7319","0.0004","90","","90","","90","","329.5","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Ammonium tetrafluoroaluminate","","- Al F4 H4 N -","- Al F4 H4 N -","- Al4 F16 H16 N4 -","4","0.125","","Bulou, A; Leble, A; Hewat, A W","NH~4~AlF~4~: Determination of the Ordered and Disordered Structures by Neutron Powder Profile Refinement","Materials Research Bulletin","1982","17","","391","397","10.1016/0025-5408(82)90090-3","","","","","","0.0863","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000183","5.0564","0.0001","5.0564","0.0001","12.7113","0.0002","90","","90","","90","","325","","","","","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Ammonium tetrafluoroaluminate","","- Al F4 H4 N -","- Al F4 H4 N -","- Al4 F16 H16 N4 -","4","0.25","","Bulou, A; Leble, A; Hewat, A W","NH~4~AlF~4~: Determination of the Ordered and Disordered Structures by Neutron Powder Profile Refinement","Materials Research Bulletin","1982","17","","391","397","10.1016/0025-5408(82)90090-3","","","","","","0.0656","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000184","8.684","0.002","8.684","0.002","4.657","0.001","90","","90","","120","","304.1","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Lithium manganese iron(III) fluoride - $-alpha","","- F6 Fe Li Mn -","- F6 Fe Li Mn -","- F18 Fe3 Li3 Mn3 -","3","0.5","","Courbion, G; Jacoboni, C; de Pape, R","The Dimorphism of Li Mn Fe F~6~: A New Kind of Cationic Order in the Structural Type Na~2~ Si F~6~","Journal of Solid State Chemistry","1982","45","","127","134","10.1016/0022-4596(82)90299-7","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000185","8.723","0.002","8.723","0.002","4.745","0.001","90","","90","","120","","312.7","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Lithium manganese iron(III) fluoride - $-beta","","- F6 Fe Li Mn -","- F6 Fe Li Mn -","- F18 Fe3 Li3 Mn3 -","3","0.5","","Courbion, G; Jacoboni, C; de Pape, R","The Dimorphism of Li Mn Fe F~6~: A New Kind of Cationic Order in the Structural Type Na~2~ Si F~6~","Journal of Solid State Chemistry","1982","45","","127","134","10.1016/0022-4596(82)90299-7","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000186","8.723","0.002","8.723","0.002","4.745","0.001","90","","90","","120","","312.7","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Lithium manganese iron(III) fluoride - $-beta","","- F6 Fe Li Mn -","- F6 Fe Li Mn -","- F18 Fe3 Li3 Mn3 -","3","0.5","","Courbion, G; Jacoboni, C; de Pape, R","The Dimorphism of Li Mn Fe F~6~: A New Kind of Cationic Order in the Structural Type Na~2~ Si F~6~","Journal of Solid State Chemistry","1982","45","","127","134","10.1016/0022-4596(82)90299-7","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000187","7.423","0.003","12.73","0.004","7.526","0.003","90","","90","","90","","711.2","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Iron(III) fluoride hydrate (1/3/.33)","","- F3 Fe H0.66 O0.33 -","- F3 Fe H0.666667 O0.333333 -","- F36 Fe12 H8 O4 -","12","0.75","","Leblanc, M; Ferey, G; Chevalier, P; Calage, Y; de Pape, R","Hexagonal Tungsten Bronze-Type Fe(III) Fluoride: (H~2~O)~0.33~FeF~3~; Crystal Structure, Magnetic Properties, Dehydration to a New Form of Iron Trifluoride","Journal of Solid State Chemistry","1983","47","","53","58","10.1016/0022-4596(83)90041-5","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:37",""
"1000188","7.844","0.004","12.819","0.008","10.582","0.006","90","","90","","90","","1064","","","","","","","","","","","","","5","P b 2 n","P -2ab -2ab","30","","Ammonium manganese iron(III) fluoride","","- F6 Fe H4 Mn N -","- F6 Fe H6 Mn N2 -","- F48 Fe8 H48 Mn8 N16 -","8","2","","Leblanc, M; Ferey, G; Calage, Y; de Pape, R","Crystal Structure and Magnetic Properties of a New Form of NH~4~MnFeF~6~","Journal of Solid State Chemistry","1983","47","","24","29","10.1016/0022-4596(83)90036-1","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:40",""
"1000189","7.645","0.002","7.645","0.002","7.645","0.002","90","","90","","90","","446.8","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Hydrogen niobium oxide","","- H Nb O3 -","- H0.25 Nb O3 -","- H2 Nb8 O24 -","8","0.166667","","Fourquet, J E; Renou, M F; de, Pape R; Theveneau, H; Man, P P; Lucas, O; Pannetier, J","H Nb O~3~, structure and NMR study","Solid State Ionics","1983","9","","1011","1013","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000190","7.645","0.002","7.645","0.002","7.645","0.002","90","","90","","90","","446.8","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Hydrogen niobium oxide","","- H Nb O3 -","- H1.0002 Nb O3 -","- H8.0016 Nb8 O24 -","8","0.166667","","Fourquet, J L; Renou, M F; De, Pape R; Theveneau, H; Man, P P; Lucs, O; Pannetier, J","H Nb O~3~, structure and NMR study","Solid State Ionics","1983","9","","1011","1013","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000191","5.892","0.003","10.632","0.004","6.745","0.004","90","","105.88","0.04","90","","406.4","","","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","Silver chromium phosphorus sulfide (.5/.5/1/3)","","- Ag0.5 Cr0.5 P S3 -","- Ag0.5001 Cr0.5 P S3 -","- Ag2.0004 Cr2 P4 S12 -","4","1","","Colombet, P; Leblanc, A; Danot, M; Rouxel, J","Coordinance inhabituelle de l'argent dans un sufur lamellaire a sous- reseau magnetique 1D: le compose Ag~.5~ Cr~.5~ P S~3~","Nouveau Journal de Chimie","1983","7","","333","338","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000192","5.892","0.003","10.632","0.004","6.745","0.004","90","","105.88","0.04","90","","406.4","","","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","Silver chromium phosphorus sulfide (.5/.5/1/3)","","- Ag0.5 Cr0.5 P S3 -","- Ag0.5 Cr0.5 P S3 -","- Ag2 Cr2 P4 S12 -","4","1","","Colombet, P; Leblanc, A; Danot, M; Rouxel, J","Coordinance inhabituelle de l'argent dans un sufur lamellaire a sous- reseau magnetique 1D: le compose Ag~.5~ Cr~.5~ P S~3~","Nouveau Journal de Chimie","1983","7","","333","338","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000193","7.609","0.005","7.514","0.006","7.453","0.004","90","","118.21","0.03","90","","375.5","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Iron fluoroferrate dihydrate","","- F8 Fe3 H4 O2 -","- F8 Fe3 H4 O2 -","- F16 Fe6 H8 O4 -","2","0.25","","Leblanc, M; Ferey, G; Calage, Y; De Pape, R","Idle spin behavior of the shifted hexagonal tungsten bronze type compounds Fe Fe~2~ F~8~ (H~2~ O)~2~ and Mn Fe~2~ F~8~ (H~2~ O)~2~","Journal of Solid State Chemistry","1984","53","","360","368","10.1016/0022-4596(84)90113-0","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:47",""
"1000194","5.332","0.002","11.13","0.04","5.455","0.002","90","","90","","90","","323.7","","","","","","","","","","","","","3","P m 2 a","P -2a -2a","28","","Calcium ferrate manganate","","- Ca3 Mn3 O8.02 -","- Ca3 Mn3 O8 -","- Ca6 Mn6 O16 -","2","0.5","","Nguyen, N; Calage, Y; Varret, F; Ferey, G; Caignaert, V; Hervieu, M; Raveau, B","The oxygen defect Perovskite Ca~3~ Mn~1.35~ Fe~1.65~ O~8.02~: a highly frustrated antiferromagnet","Journal of Solid State Chemistry","1984","53","","398","405","10.1016/0022-4596(84)90118-X","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000195","9.55","0.01","9.23","0.01","13.8","0.01","90","","90","","90","","1216.4","","","","","","","","","","","","","3","","","","","Strontium tetrafluoroborate","","- B2 F8 Sr -","","","8","","","de Pape, R; Ravez, J","Les fluoborates anhydres des metaux alcalinoterreux.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1962","254","","4171","4173","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1000196","5.95","0.002","5.95","0.002","9.701","0.004","90","","90","","120","","297.4","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","Lithium iron(III) antimony(V) tin(IV) oxide (4.66/4/2/1.32/16) - Low form","","- Fe4 Li4.66 O16 Sb2 Sn1.32 -","- Fe4 Li4.66 O16 Sb2.0122 Sn1.3278 -","- Fe4 Li4.66 O16 Sb2.0122 Sn1.3278 -","1","0.0833333","","Lacorre, P; Hervieu, M; Choisnet, J; Raveau, B","Oxydes M~3~ O~4~ a empilement hexagonal double type D.H. Li Fe Sn O~4~ (M = Li,Fe,Sb,Sn): Transitions reversibles ramsdellite - D.H. Li Fe Sn O~4~","Journal of Solid State Chemistry","1984","51","","44","52","10.1016/0022-4596(84)90313-X","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000197","3.031","0.001","5.045","0.002","9.798","0.006","90","","90","","90","","149.8","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","Lithium iron(III) antimony(V) tin(IV) oxide (4.66/4/2/1.22/16) - High form","","- Fe2 Li2.33 O8 Sb Sn0.66 -","- Fe2 Li2.3332 O8 Sb Sn0.6668 -","- Fe2 Li2.3332 O8 Sb Sn0.6668 -","1","0.125","","Lacorre, P; Hervieu, M; Choisnet, J; Raveau, B","Oxydes M~3~ O~4~ a empilement hexagonal double type D.H. Li Fe Sn O~4~ (M = Li,Fe,Sb,Sn): Transitions reversibles ramsdellite - D.H. Li Fe Sn O~4~","Journal of Solid State Chemistry","1984","51","","44","52","10.1016/0022-4596(84)90313-X","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000198","3.616","0.003","3.616","0.003","6.366","0.003","90","","90","","90","","83.2","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","THALLIUM ALUMINIUM FLUORIDE","","- Al F4 Tl -","- Al F4 Tl -","- Al F4 Tl -","1","0.0625","","Fourquet, J L; Plet, F; Courbion, G; Bulou, A; de Pape, R","Etude de la filiation structurale des phases M(I) Al F~4~ (M(I) = K, Rb, Tl, N H~4~, Cs)","Revue de Chimie Minerale","1979","16","","490","500","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000199","5.078","0.002","5.078","0.002","12.715","0.004","90","","90","","90","","327.9","","","","","","","","","","","","","4","I -4 c 2","I -4 -2c","120","","AMMONIUM ALUMINIUM TETRAFLUORIDE","","- Al F4 H4 N -","- Al F4 H4 N -","- Al4 F16 H16 N4 -","4","0.25","","Fourquet, J L; Plet, F; Courbion, G; Bulou, A; de Pape, R","Etude de la filiation structurale des phases M(I) Al F~4~ (M(I) = K, Rb, Tl, N H~4~, Cs)","Revue de Chimie Minerale","1979","16","","490","500","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:49",""
"1000200","9.604","0.004","8.379","0.004","7.542","0.002","90","","90","","90","","606.9","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","DIRUBIDIUM ALUMINIUM PENTAFLUORIDE MONOHYDRATE","","- Al F5 H2 O Rb2 -","- Al F5 H2.5 O Rb2 -","- Al4 F20 H10 O4 Rb8 -","4","0.25","","Fourquet, J L; Plet, F; de Pape, R","La structure cristalline de Rb~2~ Al F~5~, H~2~ O. Retour critique sur le type structural Tl~2~ Al F~5~","Revue de Chimie Minerale","1981","18","","19","26","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000201","7.486","0.003","17.757","0.006","5.687","0.002","90","","90.87","0.1","90","","755.9","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dibarium cobalt(II) iron(III) fluoride","","- Ba2 Co F9 Fe -","- Ba2 Co F9 Fe -","- Ba8 Co4 F36 Fe4 -","4","1","","de Kozak, A; Leblanc, M; Samouel, M; Ferey, G; de Pape, R","Structure Crystalline de Ba~2~ Co Fe F~9~","Revue de Chimie Minerale","1981","18","","659","666","","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000202","10.711","0.002","6.638","0.001","4.008","0.001","90","","90","","90","","285","","","","","","","","","","","","","5","P b a m","-P 2 2ab","55","","Mercury iron(III) fluoride dihydrate","","- F5 Fe H4 Hg O2 -","- F5 Fe H4 Hg O2 -","- F10 Fe2 H8 Hg2 O4 -","2","0.25","","Fourquet, J L; Courant, E; Chevalier, P; de Pape, R","Structure of Mercury(II) Iron(III) Fluoride Dihydrate, Hg Fe F~5~ (H~2~ O)~2~","Acta Crystallographica C (39,1983-)","1985","41","","165","167","","","","","","","0.0291","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000203","7.38","0.02","17.311","0.004","5.398","0.001","90","","91.14","0.03","90","","689.5","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sodium barium nonafluorodichromate","","- Ba Cr2 F9 Na -","","","4","1","","Ferey, G; Leblanc, M; Kozak, A de; Samouel, M; Pannetier, J","Crystal Structure of Na Ba Cr~2~ F~9~ - structural correlations with other Enneafluorides.","Journal of Fluorine Chemistry","1983","23","","442","442","10.1016/S0022-1139(00)85517-7","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1000204","7.318","0.002","17.311","0.004","5.398","0.001","90","","91.14","0.03","90","","683.7","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sodium barium dichromium(III) nonafluoride","","- Ba Cr2 F9 Na -","- Ba Cr2 F9 Na -","- Ba4 Cr8 F36 Na4 -","4","1","","Ferey, G; Leblanc, M; Kozak, A; Samouel, M; Pannetier, J","Crystal structures of Na Ba Cr~2~ F~9~ and Na Ba Fe~2~ F~9~ Structural correlations with other enneafluorides, particularly with K Pb Cr~2~ F~9~","Journal of Solid State Chemistry","1985","56","","288","297","10.1016/0022-4596(85)90178-1","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000205","7.363","0.002","17.527","0.004","5.484","0.001","90","","91.5","0.05","90","","707.5","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sodium barium diferrous(III) nonafluoride","","- Ba F9 Fe2 Na -","- Ba F9 Fe2 Na -","- Ba4 F36 Fe8 Na4 -","4","1","","Ferey, G; Leblanc, M; Kozak, A; Samouel, M; Pannetier, J","Crystal structures of Na Ba Cr~2~ F~9~ and Na Ba Fe~2~ F~9~ Structural correlations with other enneafluorides, particularly with K Pb Cr~2~ F~9~","Journal of Solid State Chemistry","1985","56","","288","297","10.1016/0022-4596(85)90178-1","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000206","7.559","0.004","7.575","0.004","12.754","0.008","90","","90","","90","","730.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium tetrafluoroferrate(III)","","- F4 Fe H4 N -","- F4 Fe H0.5 N -","- F32 Fe8 H4 N8 -","8","1","","Leblanc, M; Ferey, G; Pape, R","Room-Temperature Structure of Ammonium Tetrafluorate(III), N H~4~ (Fe F~4~)","Acta Crystallographica C (39,1983-)","1985","41","","657","660","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000207","5.0449","0.0003","5.0449","0.0003","6.1592","0.0004","90","","90","","90","","156.8","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Potassium tetrafluoroaluminate - room temperature","","- Al F4 K -","- Al F4 K -","- Al2 F8 K2 -","2","0.125","","Launay, J M; Bulou, A; Hewat, A W; Gibaud, A; Laval, J Y; Nouet, J","Shear transformation in the layered compound K Al F~4~: low temperature phase structure and transformation mechanism","Journal de Physique (Paris)","1985","46","","771","782","10.1051/jphys:01985004605077100","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000208","7.3403","0.0002","7.237","0.0002","6.407","0.0002","90","","106.801","0.004","90","","325.8","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Potassium tetrafluoroaluminate - low temperature","","- Al F4 K -","- Al F4 K -","- Al4 F16 K4 -","4","1","","Launay, J M; Bulou, A; Hewat, A W; Gibaud, A; Laval, J Y; Nouet, J","Shear transformation in the layered compound K Al F~4~: low temperature phase structure and transformation mechanism","Journal de Physique (Paris)","1985","46","","771","782","10.1051/jphys:01985004605077100","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000209","12.498","0.003","12.498","0.003","12.498","0.003","90","","90","","90","","1952.2","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Trisodium trilithium dititanium dodecafluoride","","- F12 Li3 Na3 Ti2 -","- F12 Li3 Na3 Ti2 -","- F96 Li24 Na24 Ti16 -","8","0.0833333","","de Pape, R; Portier, J; Gauthier, G; Hagenmuller, P","Les grenats fluores des elements de transition Na~3~ Li~3~ M~2~ F~12~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1967","265","","1244","1246","","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000210","12.409","0.003","12.409","0.003","12.409","0.003","90","","90","","90","","1910.8","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Trisodium trilithium divanadium dodecafluoride","","- F12 Li3 Na3 V2 -","- F12 Li3 Na3 V2 -","- F96 Li24 Na24 V16 -","8","0.0833333","","de Pape, R; Portier, J; Gauthier, G; Hagenmuller, P","Les grenats fluores des elements de transition Na~3~ Li~3~ M~2~ F~12~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1967","265","","1244","1246","","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000211","12.328","0.002","12.328","0.002","12.328","0.002","90","","90","","90","","1873.6","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Trisodium trilithium dichromium dodecafluoride","","- Cr2 F12 Li3 Na3 -","- Cr2 F12 Li3 Na3 -","- Cr16 F96 Li24 Na24 -","8","0.0833333","","de Pape, R; Portier, J; Gauthier, G; Hagenmuller, P","Les grenats fluores des elements de transition Na~3~ Li~3~ M~2~ F~12~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1967","265","","1244","1246","","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000212","12.393","0.002","12.393","0.002","12.393","0.002","90","","90","","90","","1903.4","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Trisodium trilithium diiron dodecafluoride","","- F12 Fe2 Li3 Na3 -","- F12 Fe2 Li3 Na3 -","- F96 Fe16 Li24 Na24 -","8","0.0833333","","de Pape, R; Portier, J; Gauthier, G; Hagenmuller, P","Les grenats fluores des elements de transition Na~3~ Li~3~ M~2~ F~12~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1967","265","","1244","1246","","","","","","","0.096","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000213","12.326","0.002","12.326","0.002","12.326","0.002","90","","90","","90","","1872.7","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Trisodium trilithium dicobalt dodecafluoride","","- Co2 F12 Li3 Na3 -","- Co2 F12 Li3 Na3 -","- Co16 F96 Li24 Na24 -","8","0.0833333","","de Pape, R; Portier, J; Gauthier, G; Hagenmuller, P","Les grenats fluores des elements de transition Na~3~ Li~3~ M~2~ F~12~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1967","265","","1244","1246","","","","","","","0.0117","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000214","7.49","0.001","10.031","0.002","10.271","0.003","82.98","0.02","73.88","0.02","70.42","0.02","698.1","","","","","","","","","","","","","3","P -1","-P 1","2","","Barium copper(II) fluoride (6/11/34)","","- Ba6 Cu11 F34 -","- Ba6 Cu11 F34 -","- Ba6 Cu11 F34 -","1","0.5","","Renaudin, J; Pannetier, J; de Kozak, A; Samouel, M; Ferey, G","Complex copper(II) fluorides IV. Crystal structure of Ba~6~ Cu~11~ F~34~: First evidence of trinuclear edge-sharing units and defective NaCl-type blocks in crystal chemistry of fluorides","Journal of Solid State Chemistry","1986","62","","164","171","10.1016/0022-4596(86)90227-6","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000215","10.695","0.002","9.932","0.002","5.654","0.001","90","","118.53","0.02","90","","527.7","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Barium copper iron heptafluoride","","- Ba Cu F7 Fe -","- Ba Cu F7 Fe -","- Ba4 Cu4 F28 Fe4 -","4","0.5","","Renaudin, J; Calage, Y; Samouel, M; Kozak, A de; Leblanc, M; Ferey, G","Complex copper II fluorides. II.- Crystal structure, magnetic properties and Moessbauer study of the partly disordered ferrimagnet BaCuFeF~7~","Revue de Chimie Minerale","1985","22","","74","87","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000216","10.695","0.002","9.932","0.002","5.654","0.001","90","","118.53","0.02","90","","527.7","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Barium copper iron fluoride","","- Ba Cu F7 Fe -","- Ba Cu F7 Fe -","- Ba4 Cu4 F28 Fe4 -","4","1","","Renaudin, J; Calage, Y; Samouel, M; Kozak, A de; Leblanc, M; Ferey, G","Complex copper II fluorides. II.- Crystal structure, magnetic properties and Moessbauer study of the partly disordered ferrimagnet BaCuFeF~7~","Revue de Chimie Minerale","1985","22","","74","87","","","","","","","0.0203","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000217","19.46","0.01","5.956","0.002","12.243","0.005","90","","128.88","0.01","90","","1104.6","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Hexabarium heptazinc fluoride","","- Ba6 F26 Zn7 -","- Ba6 F26 Zn7 -","- Ba12 F52 Zn14 -","2","0.25","","Renaudin, J; Samouel, M; Leblanc, M; Kozak, A de; Ferey, G","Crystal structure of Ba~6~Zn~7~F~26~","Journal of Solid State Chemistry","1985","59","","103","110","10.1016/0022-4596(85)90356-1","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000218","7.505","0.001","11.823","0.003","3.941","0.002","90","","90","","90","","349.7","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Dimercury iron pentafluoride dihydroxide hydrate","","- F5 Fe H4 Hg2 O3 -","- F5 Fe H5 Hg2 O3 -","- F10 Fe2 H10 Hg4 O6 -","2","0.125","","Courant, E; Fourquet, J L; De Pape, R","The crystal structure of Hg~2~ Fe F~5~ (O H)~2~ (H~2~O)","Journal of Solid State Chemistry","1985","60","","343","346","10.1016/0022-4596(85)90285-3","","","","","","0.0621","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000219","7.3236","0.0003","17.4525","0.0007","5.4586","0.0002","90","","91.84","0.003","90","","697.3","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sodium barium iron(III) nonafluoride","","- Ba F9 Fe2 Na -","- Ba F9 Fe2 Na -","- Ba4 F36 Fe8 Na4 -","4","1","","De Kozak, A; Samouel, M; Leblanc, M; Ferey, G; Pannetier, J","Magnetic structure of the canted 1D-antiferromagnet Na Ba Fe~2~ F~9~","Solid State Communications","1985","55","","887","890","10.1016/0038-1098(85)90200-5","","","","","","0.093","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000220","16.982","0.003","11.372","0.002","7.663","0.001","90","","101.47","0.01","90","","1450.3","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Barium copper(II) iron fluoride (7/1/6/34)","","- Ba7 Cu F34 Fe6 -","- Ba7 Cu F34 Fe6 -","- Ba14 Cu2 F68 Fe12 -","2","0.25","","Renaudin, J; Ferey, G; Kozak, A de; Samouel, M","Fluorures complexes de cuivre(II). VI. Structure cristalline de Ba~7~ Cu Fe~6~ F~34~","Revue de Chimie Minerale","1987","24","","295","304","","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000221","3.6587","","3.6587","","6.4378","","90","","90","","90","","86.2","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Thallium aluminium tetrafluoride - phase I","","- Al F4 Tl -","- Al F4 Tl -","- Al F4 Tl -","1","0.0625","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F~4~: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0272","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000222","3.6492","","3.6492","","6.4137","","90","","90","","90","","85.4","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Thallium aluminium tetrafluoride - phase I","","- Al F4 Tl -","- Al F4 Tl -","- Al F4 Tl -","1","0.0625","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F~4~: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0272","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000224","10.5276","0.0004","7.797","0.0002","12.8156","0.0004","90","","90","","90","","1052","","","","","","","","","","","","","5","P n c 2","P 2 -2bc","30","","Ammonium manganese ferrate hexafluoride * - deuterated","","- D4 F6 Fe Mn N -","- D4 F6 Fe Mn N -","- D32 F48 Fe8 Mn8 N8 -","8","2","","Leblanc, M; Ferey, G; de Pape, R; Pannetier, J","Nuclear and magnetic structures of N D~4~ Mn Fe F~6~ at 4.2 K.","Solid State Communications","1986","58","","165","169","10.1016/0038-1098(86)90835-5","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000225","7.7947","0.0003","12.8133","0.0005","10.5244","0.0004","90","","90","","90","","1051.1","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ammonium manganese ferrate hexafluoride - deuterated","","- D4 F6 Fe Mn N -","- D4 F6 Fe Mn N -","- D32 F48 Fe8 Mn8 N8 -","8","1","","Leblanc, M; Ferey, G; de Pape, R; Pannetier, J","Nuclear and magnetic structures of N D~4~ Mn Fe F~6~ at 4.2 K.","Solid State Communications","1986","165","","169","369","","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000227","7.5635","0.0002","10.901","0.001","6.7319","0.0002","90","","90","","90","","555","","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","Manganese iron pentafluoride bis(hydrate)","","- F5 Fe H4 Mn O2 -","- F5 Fe H4 Mn O2 -","- F20 Fe4 H16 Mn4 O8 -","4","0.25","","Laligant, Y; Pannetier, J; Leblanc, M; Labbe, P; Heger, G; Ferey, G","Crystal structure refinement of the inverse weberite Mn Fe F~5~ (H~2~ O)~2~","Zeitschrift fuer Kristallographie (149,1979-)","1987","181","","1","10","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000228","10.325","0.002","10.325","0.002","10.325","0.002","90","","90","","90","","1100.7","","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","Iron trifluoride","","- F3 Fe -","- F3 Fe -","- F48 Fe16 -","16","0.0833333","","De Pape, R; Ferey, G","A new form of Fe F~3~ with the pyrochlore structure: Soft chemistry, crystal structure, thermal transitions and structural correlations with the other forms of Fe F~3~","Materials Research Bulletin","1986","21","","971","978","10.1016/0025-5408(86)90134-0","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000229","6.182","0.002","6.182","0.002","12.957","0.002","90","","90","","120","","428.8","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Silver indium phosphorus sulfide (.5/.5/1/3)","","- Ag0.5 In0.5 P S3 -","- Ag0.5 In0.5 P S3 -","- Ag2 In2 P4 S12 -","4","0.333333","","Ouili, Z; Leblanc, A; Colombet, P","Crystal structure of a new Lamellar compound Ag~.5~ In~.5~ P S~3~","Journal of Solid State Chemistry","1987","66","","86","94","10.1016/0022-4596(87)90223-4","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000230","7.475","0.001","10.766","0.001","6.594","0.001","90","","90","","90","","530.7","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","Manganese iron(III) fluoride dihydrate","","- F5 Fe H4 Mn O2 -","- F5 Fe H4 Mn O2 -","- F20 Fe4 H16 Mn4 O8 -","4","0.5","","Laligant, Y; Pannetier, J; Ferey, G","Ordered magnetic frustration. VI. Crystal and magnetic structures of the inverse Weberites Zn Fe F~5~ (H~2~ O)~2~ and Mn Fe F~5~ (H~2~ O)~2~ at 1.5K from powder neutron diffraction","Journal of Solid State Chemistry","1987","66","","242","250","10.1016/0022-4596(87)90193-9","","","","","","0.0374","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000231","7.451","0.001","10.747","0.001","6.524","0.001","90","","90","","90","","522.4","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","Zinc iron(III) fluoride dihydrate","","- F5 Fe H4 O2 Zn -","- F5 Fe H4 O2 Zn -","- F20 Fe4 H16 O8 Zn4 -","4","0.5","","Laligant, Y; Pannetier, J; Ferey, G","Ordered magnetic frustration. VI. Crystal and magnetic structures of the inverse Weberites Zn Fe F~5~ (H~2~ O)~2~ and Mn Fe F~5~ (H~2~ O)~2~ at 1.5K from powder neutron diffraction","Journal of Solid State Chemistry","1987","66","","242","250","10.1016/0022-4596(87)90193-9","","","","","","0.0341","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000232","12.124","0.006","7.344","0.004","6.924","0.004","90","","120.59","0.04","90","","530.7","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Sodium tricopper fluoride","","- Cu3 F7 Na -","- Cu3 F7 Na -","- Cu12 F28 Na4 -","4","0.5","","Renaudin, J; Leblanc, M; Ferey, G; De, Kozak A; Samouel, M","Complex Copper(II) Fluorides IX. Weberite-Related Na Cu~3~ F~7~: The First Fluoride with Copper Both in Square Planar and Octahedral Coordination","Journal of Solid State Chemistry","1988","73","","603","609","10.1016/0022-4596(88)90156-9","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000233","3.867","","3.867","","7.656","","90","","90","","90","","114.5","","","","","","","","","","","","","5","P 4 m m","P 4 -2","99","","Yttrium barium copper iron(III) oxide","","- Ba Cu Fe O5 Y -","- Ba Cu Fe O5 Y -","- Ba Cu Fe O5 Y -","1","0.125","","Er Rakho, L; Michel, C; Lacorre, Ph; Raveau, B","Y Ba Cu Fe O~5+d~: A Novel Oxygen-Deficient Perovskite with a Layer Structure","Journal of Solid State Chemistry","1988","73","","531","535","10.1016/0022-4596(88)90141-7","","","","","","0.17","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000234","3.841","0.001","3.883","0.001","11.671","0.003","90","","90","","90","","174.1","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Yttrium barium copper palladium oxide (1/2/2.5/.5/7)","","- Ba2 Cu2.5 O7 Pd0.5 Y -","- Ba2 Cu2.5 O7 Pd0.5 Y -","- Ba2 Cu2.5 O7 Pd0.5 Y -","1","0.125","","Ferey, G; Le, Bail A; Laligant, Y; Hervieu, M; Raveau, B; Sulpice, A; Tournier, R","Ordered Pd^2+^ - Cu^2+^ Substitution on 1.2.3 Superconductor: The Oxide Y Ba~2~ Cu~(3-x)~ Pd~x~ O~y~ (x=0.5) with Pd~2+~ in Square Planar Coordination","Journal of Solid State Chemistry","1988","73","","610","614","10.1016/0022-4596(88)90157-0","","","","","","0.1174","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000235","10.491","0.004","8.09","0.003","7.997","0.003","90","","90","","90","","678.7","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diammonium pentafluoroaquoferrate(III)","","- F5 Fe H10 N2 O -","- F5 Fe H10 N2 O -","- F20 Fe4 H40 N8 O4 -","4","0.5","","Fourquet, J L; Plet, F; Calage, Y","Crystal Structure and Magnetic Characterization of (N H~4~)~2~ Fe F~5~ (H~2~ O)","Journal of Solid State Chemistry","1988","74","","34","38","10.1016/0022-4596(88)90328-3","","","","","","0.0272","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000236","10.257","0.001","10.257","0.001","10.257","0.001","90","","90","","90","","1079.1","","","","","","","","","","","","","4","I 21 3","I 2b 2c 3","199","","Sodium calcium aluminium fluoride (2/3/2/14)","","- Al2 Ca3 F14 Na2 -","- Al2 Ca3 F14 Na2 -","- Al8 Ca12 F56 Na8 -","4","0.166667","","Courbion, G; Ferey, G","Na~2~ Ca~3~ Al~2~ F~14~: A New Example of a Structure with ""Independent F^-^"" - A New Method of Comparison between Fluorides and Oxides of Different Formula","Journal of Solid State Chemistry","1988","76","","426","431","10.1016/0022-4596(88)90239-3","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000237","7.183","0.001","10.224","0.001","7.414","0.001","90","","90","","90","","544.5","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Disodium nickel chromium fluoride","","- Cr F7 Na2 Ni -","- Cr F7 Na2 Ni -","- Cr4 F28 Na8 Ni4 -","4","0.25","","Laligant, Y; Ferey, G; Heger, G; Pannetier, J","Refinement of the crystal and frustrated magnetic structures of the direct weberite Na~2~ Ni Cr F~7~ by neutron powder diffraction","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","553","","163","171","10.1002/zaac.19875531019","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000238","6.931","0.003","12.002","0.006","7.134","0.002","90","","90","","90","","593.4","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Aluminium trifluoride - $-beta","","- Al F3 -","- Al F3 -","- Al12 F36 -","12","0.75","","LeBail, A; Jacoboni, C; LeBlanc, M; de Pape, R; Duroy, H; Fourquet, J L","Crystal structure of the metastable form of aluminium trifluoride $- beta-Al F~3~ and the gallium and indium homologs","Journal of Solid State Chemistry","1988","77","","96","101","10.1016/0022-4596(88)90095-3","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000239","4.679","0.001","4.679","0.001","9.324","0.002","90","","90","","90","","204.1","","","","","","","","","","","","","3","P 42 n m","P 4n -2n","102","","Lithium iron(II) iron(III) fluoride","","- F6 Fe2 Li -","- F6 Fe2 Li -","- F12 Fe4 Li2 -","2","0.25","","Fourquet, J L; LeSamedi, E; Calage, Y","Le trirutile ordonne Li Fe~2~ F~6~: Croissance cristalline et etude structurale","Journal of Solid State Chemistry","1988","77","","84","89","10.1016/0022-4596(88)90093-X","","","","","","0.0208","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000240","10.365","0.002","10.365","0.002","10.365","0.002","90","","90","","90","","1113.5","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Hydrogen antimonate hemihydrate","","- H4 O7 Sb2 -","- H4 O7 Sb2 -","- H32 O56 Sb16 -","8","0.0416667","","Riviere, M; Fourquet, J L; Grins, J; Nygren, M","The cubic Pyrochlores H~2x~ Sb~2x~ W~2-2x~ O~6~ n(H~2~ O); structural, thermal and electrical properties","Materials Research Bulletin","1988","23","","965","975","10.1016/0025-5408(88)90051-7","","","","","","0.1096","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000241","10.281","0.002","10.281","0.002","10.281","0.002","90","","90","","90","","1086.7","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Hydrogen antimony tungstate hydrate","","- H3 O7 Sb W -","- H3.5 O7 Sb W -","- H28 O56 Sb8 W8 -","8","0.0416667","","Riviere, M; Fourquet, J L; Grins, J; Nygren, M","The cubic Pyrochlores H~2x~ Sb~2x~ W~2-2x~ O~6~ n(H~2~ O); structural, thermal and electrical properties","Materials Research Bulletin","1988","23","","965","975","10.1016/0025-5408(88)90051-7","","","","","","0.166","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000242","6.523","0.002","6.523","0.002","5.831","0.002","90","","90","","90","","248.1","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Barium diyttrium palladium oxide","","- Ba O5 Pd Y2 -","- Ba O5 Pd Y2 -","- Ba2 O10 Pd2 Y4 -","2","0.125","","Laligant, Y; Ferey, G; Hervieu, M; Raveau, B","Crystal structure of palladate Y~2~ Ba Pd O~5~ with square planar coordinated Pd^2+^","European Journal of Solid State Inorganic Chemistry","1988","25","","111","117","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000243","5.4201","0.0008","5.4201","0.0008","14.072","0.002","90","","90","","120","","358","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Iron hexafluoroniobate(IV)","","- F6 Fe Nb -","- F6 Fe Nb -","- F18 Fe3 Nb3 -","3","0.166667","","Delobbe, V; Chassaing, J; Bizot, D; Quarton, M; Lacorre, P; Calage, Y; Leblanc, M; Ferey, G","Fluorocomplexes of Niobium IV; VI: Moessbauer study and magnetic structure of Fe Nb F~6~","Journal of Magnetism and Magnetic Materials","1988","74","","165","176","10.1016/0304-8853(88)90064-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000244","5.3942","0.0007","5.3942","0.0007","14.1457","0.0023","90","","90","","120","","356.5","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Iron hexafluoroniobate(IV)","","- F6 Fe Nb -","- F6 Fe Nb -","- F18 Fe3 Nb3 -","3","0.166667","","Delobbe, V; Chassaing, J; Bizot, D; Quarton, M; Lacorre, P; Calage, Y; Leblanc, M; Ferey, G","Fluorocomplexes of Niobium IV; VI: Moessbauer study and magnetic structure of Fe Nb F~6~","Journal of Magnetism and Magnetic Materials","1988","74","","165","176","10.1016/0304-8853(88)90064-9","","","","","","0.0373","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000245","7.793","0.001","7.7398","0.0012","7.7435","0.0012","86.585","0.012","87.046","0.008","86.138","0.009","464.6","","","","","","","","","","","","","3","P -1","-P 1","2","","Iron hexafluoroniobate(IV)","","- F6 Fe Nb -","- F6 Fe Nb -","- F24 Fe4 Nb4 -","4","2","","Delobbe, V; Chassaing, J; Bizot, D; Quarton, M; Lacorre, P; Calage, Y; Leblanc, M; Ferey, G","Fluorocomplexes of Niobium IV; VI: Moessbauer study and magnetic structure of Fe Nb F~6~","Journal of Magnetism and Magnetic Materials","1988","74","","165","176","10.1016/0304-8853(88)90064-9","","","","","","0.0577","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000246","7.7994","0.0008","7.7143","0.0012","7.7206","0.001","86.483","0.009","86.968","0.008","85.687","0.007","461.8","","","","","","","","","","","","","3","P -1","-P 1","2","","Iron hexafluoroniobate(IV)","","- F6 Fe Nb -","- F6 Fe Nb -","- F24 Fe4 Nb4 -","4","2","","Delobbe, V; Chassaing, J; Bizot, D; Quarton, M; Lacorre, P; Calage, Y; Leblanc, M; Ferey, G","Fluorocomplexes of Niobium IV; VI: Moessbauer study and magnetic structure of Fe Nb F~6~","Journal of Magnetism and Magnetic Materials","1988","74","","165","176","10.1016/0304-8853(88)90064-9","","","","","","0.0549","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000247","7.475","0.001","10.766","0.001","6.594","0.001","90","","90","","90","","530.7","","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","Zinc iron(III) fluoride dihydrate","","- F5 Fe H4 O2 Zn -","- F5 Fe H5 O2 Zn -","- F20 Fe4 H20 O8 Zn4 -","4","0.25","","Laligant, Y; Calage, Y; Torres Tapia, E; Greneche, J M; Varret, F; Ferey, G","Crystal structure of the inverse weberite Zn Fe F~5~ (H~2~ O)~2~, magnetic and Moessbauer study of the antiferromagnet Zn Fe F~5~ (H~2~ O)~2~ and ferrimagnet Mn Fe F~5~","Journal of Magnetism and Magnetic Materials","1986","61","","283","290","10.1016/0304-8853(86)90040-5","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000248","6.937","0.002","7.229","0.002","7.456","0.002","94.37","0.02","93.16","0.02","115.86","0.02","333.8","","","","","","","","","","","","","3","P -1","-P 1","2","","Dibarium octafluorotriniccolate decafluorotetraniccolate","","- Ba2 F18 Ni7 -","- Ba2 F18 Ni7 -","- Ba2 F18 Ni7 -","1","0.5","","Renaudin, J; Ferey, G; Kozak, A; Samouel, M; Lacorre, P","Crystal and magnetic structures of the ferrimagnet Ba~2~ Ni~7~ F~18~","Solid State Communications","1988","65","","185","188","10.1016/0038-1098(88)90884-8","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000249","6.924","0.009","7.218","0.01","7.437","0.013","94.39","0.12","93.2","0.13","115.82","0.09","331.9","","","","","","","","","","","","","3","P -1","-P 1","2","","Dibarium octafluorotriniccolate decafluorotetraniccolate","","- Ba2 F18 Ni7 -","- Ba2 F18 Ni7 -","- Ba2 F18 Ni7 -","1","0.5","","Renaudin, J; Ferey, G; Kozak, A; Samouel, M; Lacorre, P","Crystal and magnetic structures of the ferrimagnet Ba~2~ Ni~7~ F~18~","Solid State Communications","1988","65","","185","188","10.1016/0038-1098(88)90884-8","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000250","3.869","0.001","3.869","0.001","12.664","0.003","90","","90","","90","","189.6","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Lanthanum nickel oxide (1.9/1/3.9)","","- La1.9 Ni O3.93 -","- La1.9 Ni O3.93 -","- La3.8 Ni2 O7.86 -","2","0.0625","","Choisnet, J; Bassat, J M; Pilliere, H; Odier, P; Leblanc, M","A re-investigation of the crystal structure of La~2~ Ni O~4~ Non stoichiometry and ""La O"" layers","Solid State Communications","1988","66","","1245","1249","10.1016/0038-1098(88)90044-0","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000251","5.662","0.001","5.809","0.001","8.758","0.002","90","","90","","90","","288.1","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Lithium copper vanadate","","- Cu Li O4 V -","- Cu Li O4 V -","- Cu4 Li4 O16 V4 -","4","0.25","","Lafontaine, M A; Leblanc, M; Ferey, G","New refinement of the room-temperature structure of Li Cu V O~4~","Acta Crystallographica C (39,1983-)","1989","45","","1205","1206","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000252","7.541","0.003","7.501","0.003","13.027","0.007","90","","90.52","0.04","90","","736.8","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquacopper diiron(III) octafluoride","","- Cu F8 Fe2 H4 O2 -","- Cu F8 Fe2 H4 O2 -","- Cu4 F32 Fe8 H16 O8 -","4","0.5","","Leblanc, M; Ferey, G","Room-temperature structure of diaquaoctafluorocopper(II) diiron(III)","Acta Crystallographica C (39,1983-)","1990","46","","13","15","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","287513","2023-11-10","13:23:43",""
"1000253","7.444","0.001","6.658","0.001","7.759","0.001","90","","93.57","0.01","90","","383.8","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Tricopper oxide heptaoxodivanadate hydrate","","- Cu3 H2 O9 V2 -","- Cu3 H3 O9 V2 -","- Cu6 H6 O18 V4 -","2","0.5","","Leblanc, M; Ferey, G","Room-temperature structures of oxocopper(II) vanadate(V) hydrates, Cu~3~ V~2~ O~8~ (H~2~ O) and Cu V~2~ O~6~ (H2 O)2","Acta Crystallographica C (39,1983-)","1990","46","","15","18","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000254","5.617","0.001","5.595","0.001","11.333","0.002","90","","91.04","0.01","90","","356.1","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Copper hexaoxodivanadate dihydrate","","- Cu H4 O8 V2 -","- Cu H4 O8 V2 -","- Cu2 H8 O16 V4 -","2","0.5","","Leblanc, M; Ferey, G","Room-temperature structures of oxocopper(II) vanadate(V) hydrates, Cu~3~ V~2~ O~8~ (H~2~ O) and Cu V~2~ O~6~ (H2 O)2","Acta Crystallographica C (39,1983-)","1990","46","","15","18","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000255","7.78","0.002","8.423","0.003","4.993","0.001","90","","96.48","0.02","90","","325.1","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Thallium octaoxotrivanadate","","- O8 Tl V3 -","- O8 Tl V3 -","- O16 Tl2 V6 -","2","0.5","","Benchrifa, R; Leblanc, M; De Pape, R","Structure of the trivanadate Tl V~3~ O~8~","Acta Crystallographica C (39,1983-)","1990","46","","177","179","","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000256","8.318","0.003","8.318","0.003","8.318","0.003","90","","90","","90","","575.5","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Dilithium nickel fluoride","","- F4 Li2 Ni -","- F4 Li2 Ni -","- F32 Li16 Ni8 -","8","0.0416667","","Fourquet, J L; Duroy, H; Leblanc, M; Ferey, G","Li~2~ Ni F~4~: Hydrothermal Synthesis and Crystal Structure","Journal of Solid State Chemistry","1989","78","","184","186","10.1016/0022-4596(89)90143-6","","","","","","0.0303","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000257","7.2338","0.0003","10.305","0.0003","7.4529","0.0003","90","","90","","90","","555.6","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Disodium nickel iron(III) fluoride","","- F7 Fe Na2 Ni -","- F7 Fe Na2 Ni -","- F28 Fe4 Na8 Ni4 -","4","0.25","","Laligant, Y; Calage, Y; Heger, G; Pannetier, J; Ferey, G","Ordered Magnetic Frustration VII. Na~2~ Ni Fe F~7~: Reexamination of Its Crystal Structure in the True Space Group after Corrections from Renninger Effect and Refinement of Its Frustrated Magnetic Structure at 4.2 and 55 K","Journal of Solid State Chemistry","1989","78","","66","77","10.1016/0022-4596(89)90128-X","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000258","7.203","0.001","10.255","0.001","7.429","0.001","90","","90","","90","","548.8","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Disodium nickel iron(III) fluoride","","- F7 Fe Na2 Ni -","- F7 Fe Na2 Ni -","- F28 Fe4 Na8 Ni4 -","4","0.25","","Laligant, Y; Calage, Y; Heger, G; Pannetier, J; Ferey, G","Ordered Magnetic Frustration VII. Na~2~ Ni Fe F~7~: Reexamination of Its Crystal Structure in the True Space Group after Corrections from Renninger Effect and Refinement of Its Frustrated Magnetic Structure at 4.2 and 55 K","Journal of Solid State Chemistry","1989","78","","66","77","10.1016/0022-4596(89)90128-X","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000259","7.203","0.001","10.256","0.001","7.429","0.001","90","","90","","90","","548.8","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Disodium nickel iron(III) fluoride","","- F7 Fe Na2 Ni -","- F7 Fe Na2 Ni -","- F28 Fe4 Na8 Ni4 -","4","0.25","","Laligant, Y; Calage, Y; Heger, G; Pannetier, J; Ferey, G","Ordered Magnetic Frustration VII. Na~2~ Ni Fe F~7~: Reexamination of Its Crystal Structure in the True Space Group after Corrections from Renninger Effect and Refinement of Its Frustrated Magnetic Structure at 4.2 and 55 K","Journal of Solid State Chemistry","1989","78","","66","77","10.1016/0022-4596(89)90128-X","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000260","5.4354","0.0007","4.6527","0.0006","5.5392","0.0007","90","","114.117","0.008","90","","127.9","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Lithium cobalt(III) fluoride","","- Co F4 Li -","- Co F4 Li -","- Co2 F8 Li2 -","2","0.5","","Lacorre, P; Pannetier, J; Averdunk, F; Hoppe, R; Ferey, G","Crystal and Magnetic Structures of Li Co F~4~: The First Compound with a Dirutile Structure","Journal of Solid State Chemistry","1989","79","","1","11","10.1016/0022-4596(89)90243-0","","","","","","0.0732","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000261","5.4296","0.0008","4.6462","0.0004","5.5371","0.0004","90","","114.244","0.005","90","","127.4","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Lithium cobalt(III) fluoride","","- Co F4 Li -","- Co F4 Li -","- Co2 F8 Li2 -","2","0.5","","Lacorre, P; Pannetier, J; Averdunk, F; Hoppe, R; Ferey, G","Crystal and Magnetic Structures of Li Co F~4~: The First Compound with a Dirutile Structure","Journal of Solid State Chemistry","1989","79","","1","11","10.1016/0022-4596(89)90243-0","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000262","9.2","0.003","8.119","0.004","7.486","0.003","90","","90","","90","","559.2","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Dipotassium pentafluoroaluminate hydrate","","- Al F5 H2 K2 O -","- Al F5 H2 K2 O -","- Al4 F20 H8 K8 O4 -","4","0.25","","Fourquet, J L; Boulard, B; Plet, F","K~2~ Al F~5~ H~2~ O: Location of Hydrogen Atoms by X-Ray Diffraction and Raman Spectroscopy Study","Journal of Solid State Chemistry","1989","81","","35","39","10.1016/0022-4596(89)90198-9","","","","","","0.0383","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000263","16.4209","0.0003","16.4209","0.0003","16.4209","0.0003","90","","90","","90","","4427.8","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Strontium hexafluoroaluminate fluoride chloride (10/2/13/1)","","- Al2 Cl F25 Sr10 -","- Al2 Cl F25 Sr10 -","- Al16 Cl8 F200 Sr80 -","8","0.0416667","","Hemon, A; Courbion, G","Crystal Structure of Sr~10~ Al~2~ F~25~ Cl","Journal of Solid State Chemistry","1989","81","","293","298","10.1016/0022-4596(89)90017-0","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000264","5.3813","0.0001","5.3192","0.0001","13.1028","0.0001","90","","90","","90","","375.1","","","","","","","","","","","","","4","A b m a","-A 2ab 2ab","64","","Lanthanum copper lithium oxide (2/0.9/0.1/4)","","- Cu0.9 La2 Li0.1 O3.97 -","- Cu0.9 La2 Li0.1 O3.966 -","- Cu3.6 La8 Li0.4 O15.864 -","4","","","Attfield, J P; Ferey, G","Preparation and Crystal Structures of La~2~ Cu~1-x~ Li~x~ O~4~ Solid Solutions and Evidence for a New Oxide with a defect K~2~ Ni F~4~ Structure: La~4~ Li~2~ O~7~","Journal of Solid State Chemistry","1989","80","","112","119","10.1016/0022-4596(89)90037-6","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000265","5.3617","0.0001","5.3147","0.0001","13.1066","0.0001","90","","90","","90","","373.5","","","","","","","","","","","","","4","A b m a","-A 2ab 2ab","64","","Lanthanum copper lithium oxide (2/.9/.2/4)","","- Cu0.85 La2 Li0.15 O3.97 -","- Cu0.855 La2 Li0.145 O3.974 -","- Cu3.42 La8 Li0.58 O15.896 -","4","","","Attfield, J P; Ferey, G","Preparation and Crystal Structures of La~2~ Cu~1-x~ Li~x~ O~4~ Solid Solutions and Evidence for a New Oxide with a defect K~2~ Ni F~4~ Structure: La~4~ Li~2~ O~7~","Journal of Solid State Chemistry","1989","80","","112","119","10.1016/0022-4596(89)90037-6","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000266","5.3177","0.0001","5.3032","0.0001","13.1218","0.0002","90","","90","","90","","370","","","","","","","","","","","","","4","A b m a","-A 2ab 2ab","64","","Lanthanum copper lithium oxide (2/.8/.3/4)","","- Cu0.75 La2 Li0.25 O3.98 -","- Cu0.748 La2 Li0.252 O3.98 -","- Cu2.992 La8 Li1.008 O15.92 -","4","","","Attfield, J P; Ferey, G","Preparation and Crystal Structures of La~2~ Cu~1-x~ Li~x~ O~4~ Solid Solutions and Evidence for a New Oxide with a defect K~2~ Ni F~4~ Structure: La~4~ Li~2~ O~7~","Journal of Solid State Chemistry","1989","80","","112","119","10.1016/0022-4596(89)90037-6","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000267","5.2636","0.0002","5.258","0.0002","13.146","0.0002","90","","90","","90","","363.8","","","","","","","","","","","","","4","A m m m","-A 2 2","65","","Lanthanum copper lithium oxide (2/.5/.5/4)","","- Cu0.54 La2 Li0.46 O4 -","- Cu0.545 La2 Li0.455 O4 -","- Cu2.18 La8 Li1.82 O16 -","4","0.25","","Attfield, J P; Ferey, G","Preparation and Crystal Structures of La~2~ Cu~1-x~ Li~x~ O~4~ Solid Solutions and Evidence for a New Oxide with a defect K~2~ Ni F~4~ Structure: La~4~ Li~2~ O~7~","Journal of Solid State Chemistry","1989","80","","112","119","10.1016/0022-4596(89)90037-6","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000268","5.2517","0.0009","5.251","0.001","13.1539","0.0003","90","","90","","90","","362.7","","","","","","","","","","","","","4","A m m m","-A 2 2","65","","Lanthanum copper lithium oxide (2/.5/.5/4)","","- Cu0.5 La2 Li0.5 O4 -","- Cu0.5 La2 Li0.5 O4 -","- Cu2 La8 Li2 O16 -","4","0.25","","Attfield, J P; Ferey, G","Preparation and Crystal Structures of La~2~ Cu~1-x~ Li~x~ O~4~ Solid Solutions and Evidence for a New Oxide with a defect K~2~ Ni F~4~ Structure: La~4~ Li~2~ O~7~","Journal of Solid State Chemistry","1989","80","","112","119","10.1016/0022-4596(89)90037-6","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000269","17.184","0.004","9.886","0.002","15.037","0.005","90","","124.32","0.02","90","","2109.8","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Caesium barium phyllo-dodecafluorotrichromate(III)","","- Ba Cr3 Cs F12 -","- Ba Cr3 Cs F12 -","- Ba8 Cr24 Cs8 F96 -","8","1","","Ferey, G; Renaudin, J; de Kozak, A; Mary, Y","Crystal chemistry, plane nets and arabic mosaics: the structure of CsBaCr~3~F~12~, a new MX~4~ network","Zeitschrift fuer Kristallographie (149,1979-)","1989","189","","181","190","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000270","7.703","0.005","10.703","0.007","12.216","0.007","97.68","0.05","118.76","0.05","99.81","0.05","842.5","","","","","","","","","","","","","3","P -1","-P 1","2","","Octathallium 34-oxo-decamolybdate","","- Mo10 O34 Tl8 -","- Mo10 O34 Tl8 -","- Mo10 O34 Tl8 -","1","0.5","","Benchrifa, R; de Pape, R","Isotypism of the triclinic Tl~8~Mo~10~O~34~ and (NH~4~)~8~Mo~10~O~34~ molybdates","Acta Crystallographica C (39,1983-)","1990","46","","728","728","","","","","","","","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1000271","7.75","0.001","11.038","0.001","12.421","0.001","98.52","0.01","119.87","0.01","99.18","0.01","876.9","","","","","","","","","","","","","4","P -1","-P 1","2","","Octaammonium 34-oxo-decamolybdate","","- H32 Mo10 N8 O34 -","- H32 Mo10 N8 O34 -","- H32 Mo10 N8 O34 -","1","0.5","","Benchrifa, R; de Pape, R","Isotypism of the triclinic Tl~8~Mo~10~O~34~ and (NH~4~)~8~Mo~10~O~34~ molybdates","Acta Crystallographica C (39,1983-)","1990","46","","728","728","","","","","","","","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1000272","12.211","0.007","7.496","0.002","7.635","0.003","90","","90","","90","","698.9","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Potassium tetrafluorogallate","","- F4 Ga K -","- F4 Ga K -","- F32 Ga8 K8 -","8","1","","Courbion, G; Randrianohavy, J V; Rousseau, J J","ESR Study of Cr^3+^ and Fe^3+^ Ions in K Ga F~4~ Single Crystals","Journal of Solid State Chemistry","1989","81","","285","292","10.1016/0022-4596(89)90016-9","","","","","","0.0256","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000273","5.0881","0.0002","5.0881","0.0002","12.7245","0.0004","90","","90","","90","","329.4","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Rubidium ammonium tetrafluoroaluminate (.1/.9/1)","","- Al F4 H3.72 N0.93 Rb0.07 -","- Al F4 H3.72 N0.93 Rb0.07 -","- Al4 F16 H14.88 N3.72 Rb0.28 -","4","0.125","","Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L","A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed compounds","Journal of Physics: Condensed Matter","1989","1","","1577","1588","10.1088/0953-8984/1/9/004","","","","","","0.163","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000274","5.0893","0.0001","5.0893","0.0001","12.7177","0.0003","90","","90","","90","","329.4","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Rubidium ammonium tetrafluoroaluminate (.1/.9/1)","","- Al F4 H3.6 N0.9 Rb0.1 -","- Al F4 H3.6 N0.9 Rb0.1 -","- Al4 F16 H14.4 N3.6 Rb0.4 -","4","0.125","","Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L","A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed compounds","Journal of Physics: Condensed Matter","1989","1","","1577","1588","10.1088/0953-8984/1/9/004","","","","","","0.141","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000275","5.0569","0.0001","5.0569","0.0001","12.7091","0.0003","90","","90","","90","","325","","","","","","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","Rubidium ammonium tetrafluoroaluminate (0.03/1/1)","","- Al F4 H3.88 N0.97 Rb0.03 -","- Al F4 H3.88 N0.97 Rb0.03 -","- Al4 F16 H15.52 N3.88 Rb0.12 -","4","0.25","","Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L","A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed compounds","Journal of Physics: Condensed Matter","1989","1","","1577","1588","10.1088/0953-8984/1/9/004","","","","","","0.1528","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000276","5.0579","0.0001","5.0579","0.0001","12.7003","0.0002","90","","90","","90","","324.9","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Rubidium ammonium tetrafluoroaluminate (.1/.9/1)","","- Al F4 H3.72 N0.93 Rb0.07 -","- Al F4 H3.72 N0.93 Rb0.07 -","- Al4 F16 H14.88 N3.72 Rb0.28 -","4","0.125","","Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L","A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ AL F~4~ mixed compounds","Journal of Physics: Condensed Matter","1989","1","","1577","1588","10.1088/0953-8984/1/9/004","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000277","5.06","0.001","5.06","0.001","12.6977","0.0003","90","","90","","90","","325.1","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Rubidium ammonium tetrafluoroaluminate (.1/.9/1)","","- Al F4 H3.6 N0.9 Rb0.1 -","- Al F4 H3.6 N0.9 Rb0.1 -","- Al4 F16 H14.4 N3.6 Rb0.4 -","4","0.125","","Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L","A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed compounds","Journal of Physics: Condensed Matter","1989","1","","1577","1588","10.1088/0953-8984/1/9/004","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000278","16.892","0.004","11.331","0.001","7.646","0.002","90","","101.75","0.02","90","","1432.8","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Heptabarium copper hexairon(III) fluoride","","- Ba7 Cu F34 Fe6 -","- Ba7 Cu F34 Fe6 -","- Ba14 Cu2 F68 Fe12 -","2","0.25","","Renaudin, J; Ferey, G; Drillon, M; De Kozak, A; Samouel, M","La structure magnetique du ferrimagnetique monodimensionnel Ba~7~ Cu Fe~6~ F~34~ de type jarlite","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1989","308","","1217","1222","","","","","","","0.109","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000279","7.5875","0.0002","7.5875","0.0002","7.5875","0.0002","90","","90","","90","","436.8","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Hydrogen niobium tungsten oxide (.6/.6/.4/3)","","- H0.6 Nb0.6 O3 W0.4 -","- H0.15 Nb0.6 O3 W0.4 -","- H1.2 Nb4.8 O24 W3.2 -","8","0.166667","","Fourquet, J L; Gillet, P A; Le, Bail A","Li/H topotactic exchange on beta-Li(1-x) Nb(1-x) Wx O3 (O <= x <= 0.5): the series H(1-x)Nb(1-x)WxO3","Materials Research Bulletin","1988","23","","1253","1260","10.1016/0025-5408(88)90113-4","","","","","","0.0369","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000280","13.215","0.002","5.943","0.001","5.938","0.001","90","","90","","90","","466.4","","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","","Lanthanum oxide sulfide (2/2/2)","","- La2 O2 S2 -","- La2 O2 S2 -","- La8 O8 S8 -","4","0.25","","Ostorero, J; Leblanc, M","Room temperature structure of La~2~O~2~S~2~","Acta Crystallographica C (39,1983-)","1990","46","","1376","1378","","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","287588","2023-11-14","18:05:45",""
"1000281","18.165","0.004","7.154","0.002","13.677","0.004","90","","120.42","0.01","90","","1532.7","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Caesium tecto-phosphatodiantimonate","","- Cs O8 P Sb2 -","- Cs O8 P Sb2 -","- Cs8 O64 P8 Sb16 -","8","1","","Crosnier, M P; Guyomard, D; Verbaere, A; Piffard, Y","Preparation and crystal structure of CsSb~2~PO~8~","European Journal of Solid State Inorganic Chemistry","1989","26","","529","538","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000282","7.647","0.003","15.414","0.007","18.994","0.008","90","","90","","90","","2238.8","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diammonium catena-tetramolybdate","","- H8 Mo4 N2 O13 -","- H16 Mo4 N2 O13 -","- H128 Mo32 N16 O104 -","8","1","","Benchrifa, R; Leblanc, M; De Pape, R","Synthesis and crystal structure of two polymorphs of (NH~4~)~2~Mo~4~O~13~, orthorhombic (o) and triclinic (t)","European Journal of Solid State Inorganic Chemistry","1989","26","","593","601","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000283","8.264","0.004","8.344","0.004","10.245","0.005","104.61","0.02","106.05","0.02","109.67","0.02","590.9","","","","","","","","","","","","","4","P -1","-P 1","2","","Diammonium catena-tetramolybdate","","- H8 Mo4 N2 O13 -","- H16 Mo4 N2 O13 -","- H32 Mo8 N4 O26 -","2","1","","Benchrifa, R; Leblanc, M; De Pape, R","Synthesis and crystal structure of two polymorphs of (NH~4~)~2~Mo~4~O~13~, orthorhombic (o) and triclinic (t)","European Journal of Solid State Inorganic Chemistry","1989","26","","593","601","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000284","13.207","0.002","5.68","0.002","10.321","0.002","90","","90","","90","","774.2","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dibarium diyttrium copper platinum(IV) oxide","","- Ba2 Cu O8 Pt Y2 -","- Ba2 Cu O8 Pt Y2 -","- Ba8 Cu4 O32 Pt4 Y8 -","4","0.5","","Laligant, Y; Ferey, G; Hervieu, M; Raveau, B","Synthesis and Single-Crystal Refinement of Ba~2~ Y~2~ Cu Pt O~8~","Europhysics Letters","1987","4","","1023","1029","10.1209/0295-5075/4/9/012","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000285","5.4054","","5.4016","","30.7152","","90","","90","","90","","896.8","","","","","","","","","","","","","5","A m a a","-A 2a 2","66","","Dibismuth distrontium calcium dicopper oxide","","- Bi2 Ca Cu2 O8 Sr2 -","- Bi2 Ca Cu2 O8 Sr2 -","- Bi8 Ca4 Cu8 O32 Sr8 -","4","0.25","","Hervieu, M; Michel, C; Domenges, B; Laligant, Y; Lebail, A; Ferey, G; Raveau, B","Electron microscopy study of the superconductor ""Bi~2~ Sr~2~ Ca Cu~2~ O~8~""","Modern Physics Letters B","1988","2","","491","500","10.1142/S0217984988000060","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000286","8.3232","0.0004","9.5101","0.0004","9.0317","0.0004","90","","92.293","0.003","90","","714.3","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Strontium dizinc bis(phosphate)","","- O8 P2 Sr Zn2 -","- O8 P2 Sr Zn2 -","- O32 P8 Sr4 Zn8 -","4","1","","Hemon, A; Courbion, G","The crystal structure of $-alpha-SrZn~2~(PO~4~)~2~: a hurlbutite type","Journal of Solid State Chemistry","1990","85","","164","168","10.1016/S0022-4596(05)80072-6","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000287","7.016","0.002","7.84","0.002","11.066","0.002","77.16","0.02","89.95","0.02","72.02","0.02","563","","","","","","","","","","","","","4","P -1","-P 1","2","","Tetracaesium bis(oxoniobium) catena-octasilicate","","- Cs4 Nb2 O23 Si8 -","- Cs4 Nb2 O23 Si8 -","- Cs4 Nb2 O23 Si8 -","1","0.5","","Crosnier, M P; Guyomard, D; Verbaere, A; Piffard, Y","Synthesis and structure of a novel polysilicate Cs~4~(NbO)~2~(Si~8~O~21~)","European Journal of Solid State Inorganic Chemistry","1990","27","","435","442","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000288","19.706","0.002","5.599","0.001","15.173","0.002","90","","90","","90","","1674.1","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tribarium aluminium fluoride","","- Al Ba3 F9 -","- Al Ba3 F9 -","- Al8 Ba24 F72 -","8","1","","Renaudin, A; Ferey, G; Kozak, A de; Samouel, M","Polymorphic Ba~3~AlF~9~ : crystal structure of form I","European Journal of Solid State Inorganic Chemistry","1990","27","","571","580","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000289","7.7388","0.0006","6.2756","0.0005","14.827","0.002","90","","112.03","0.01","90","","667.5","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium distrontium hexafluorochromate(III) difluoride","","- Cr F8 Na Sr2 -","- Cr F8 Na Sr2 -","- Cr4 F32 Na4 Sr8 -","4","1","","Hemon, A; Courbion, G","NaSr~2~CrF~8~: a new structure with two ""independent F^-^""","Journal of Solid State Chemistry","1990","87","","344","349","10.1016/0022-4596(90)90036-W","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000290","5.4146","0.0001","5.3757","0.0001","7.6199","0.0002","90","","90","","90","","221.8","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni4 O12 Pr4 -","4","0.5","","Huang, T C; Parrish, W; Toraya, H; Lacorre, P; Torrance, J B","High temperature crystal structures of orthorhombic and rhombohedral PrNiO~3~","Materials Research Bulletin","1990","25","","1091","1098","10.1016/0025-5408(90)90138-R","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000291","5.4294","0.0001","5.3849","0.0001","7.6362","0.0002","90","","90","","90","","223.3","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni4 O12 Pr4 -","4","0.5","","Huang, T C; Parrish, W; Toraya, H; Lacorre, P; Torrance, J B","High temperature crystal structures of orthorhombic and rhombohedral PrNiO~3~","Materials Research Bulletin","1990","25","","1091","1098","10.1016/0025-5408(90)90138-R","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000292","5.4456","0.0001","5.3952","0.0001","7.652","0.0002","90","","90","","90","","224.8","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni4 O12 Pr4 -","4","0.5","","Huang, T C; Parrish, W; Toraya, H; Lacorre, P; Torrance, J B","High temperature crystal structures of orthorhombic and rhombohedral PrNiO~3~","Materials Research Bulletin","1990","25","","1091","1098","10.1016/0025-5408(90)90138-R","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000293","5.4577","0.0001","5.4577","0.0001","13.1058","0.0003","90","","90","","120","","338.1","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni6 O18 Pr6 -","6","0.166667","","Huang, T C; Parrish, W; Toraya, H; Lacorre, P; Torrance, J B","High temperature crystal structures of orthorhombic and rhombohedral PrNiO~3~","Materials Research Bulletin","1990","25","","1091","1098","10.1016/0025-5408(90)90138-R","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000294","5.4614","0.0001","5.4614","0.0001","13.1319","0.0002","90","","90","","120","","339.2","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni6 O18 Pr6 -","6","0.166667","","Huang, T C; Parrish, W; Toraya, H; Lacorre, P; Torrance, J B","High temperature crystal structures of orthorhombic and rhombohedral PrNiO~3~","Materials Research Bulletin","1990","25","","1091","1098","10.1016/0025-5408(90)90138-R","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000295","7.421","0.003","7.421","0.003","18.166","0.006","90","","90","","120","","866.4","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Disodium manganese chromium fluoride","","- Cr F7 Mn Na2 -","- Cr F7 Mn Na2 -","- Cr6 F42 Mn6 Na12 -","6","1","","Courbion, G; Ferey, G; Holler, H; Babel, D","On trigonal weberites: structure refinement of Na~2~MnCrF~7~ and Na~2~MnGaF~7~","European Journal of Solid State Inorganic Chemistry","1988","25","","435","447","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000296","7.401","0.001","7.401","0.001","18.091","0.002","90","","90","","120","","858.2","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Disodium manganese gallium fluoride","","- F7 Ga Mn Na2 -","- F7 Ga Mn Na2 -","- F42 Ga6 Mn6 Na12 -","6","1","","Courbion, G; Ferey, G; Holler, H; Babel, D","On trigonal weberites: Structure refinement of Na~2~MnCrF~7~ and Na~2~MnGaF~7~","European Journal of Solid State Inorganic Chemistry","1988","25","","435","447","","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000297","16.135","0.002","16.135","0.002","16.135","0.002","90","","90","","90","","4200.6","","","","","","","","","","","","","4","I a -3","-I 2b 2c 3","206","","Tetrasodium barium tricopper fluoride","","- Ba Cu3 F12 Na4 -","- Ba Cu3 F12 Na4 -","- Ba16 Cu48 F192 Na64 -","16","0.333333","","de Kozak, A; Samouel, M; Renaudin, J; Ferey, G","Complex copper II fluorides: XII. Crystal structure and ferromagnetic properties of Na~4~BaCu~3~F~12~","European Journal of Solid State Inorganic Chemistry","1990","27","","771","782","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000298","13.005","0.001","6.4748","0.0006","10.614","0.001","90","","90","","90","","893.7","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Potassium antimony(V) oxide silicate","","- K O5 Sb Si -","- K O5 Sb Si -","- K8 O40 Sb8 Si8 -","8","2","","Crosnier, M P; Guyomard, D; Verbaere, A; Piffard, Y","KSbOSiO~4~: a new isomorphous derivative of KTiOPO~4~","European Journal of Solid State Inorganic Chemistry","1990","27","","845","854","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000299","8.6472","0.0002","8.6472","0.0002","8.6472","0.0002","90","","90","","90","","646.6","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Potassium dioxonium hexafluoroaluminate","","- Al F6 H6 K O2 -","- Al F6 H6 K O2 -","- Al4 F24 H24 K4 O8 -","4","0.166667","","Rousseau, J J; Boulard, B; Duroy, H; Fourquet, J L","K(H~3~O)~2~AlF~6~: ESR, infrared and Raman spectroscopy studies","European Journal of Solid State Inorganic Chemistry","1990","27","","913","924","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000300","8.712","0.003","6.317","0.002","7.349","0.003","90","","115.04","0.03","90","","366.4","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Calcium aluminium fluoride - α","","- Al Ca F5 -","- Al Ca F5 -","- Al4 Ca4 F20 -","4","0.5","","Hemon, A.; Courbion, G.","Refinement of the room-temperature structure of α-CaAlF~5~","Acta Crystallographica, Section C: Crystal Structure Communications","1991","47","6","1302","1303","10.1107/s0108270190013956","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","200074","2020-10-21","18:00:00",""
"1000301","5.4145","0.0003","5.3753","0.0002","7.6206","0.0004","90","","90","","90","","221.8","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni4 O12 Pr4 -","4","0.5","","Lacorre, P; Torrance, J B; Pannetier, J; Nazzal, A I; Wang, P W; Huang, T C","Synthesis, crystal structure and properties of metallic PrNiO~3~: comparison with metallic NdNiO~3~ and semiconducting SmNiO~3~","Journal of Solid State Chemistry","1991","91","","225","237","10.1016/0022-4596(91)90077-U","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000302","5.4154","0.0001","5.3755","0.0001","7.6192","0.0002","90","","90","","90","","221.8","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni4 O12 Pr4 -","4","0.5","","Lacorre, P; Torrance, J B; Pannetier, J; Nazzal, A I; Wang, P W; Huang, T C","Synthesis, crystal structure and properties of metallic PrNiO~3~: comparison with metallic NdNiO~3~ and semiconducting SmNiO~3~","Journal of Solid State Chemistry","1991","91","","225","237","10.1016/0022-4596(91)90077-U","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000303","5.3888","0.0002","5.3845","0.0001","7.6127","0.0002","90","","90","","90","","220.9","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Neodymium nickel(III) oxide","","- Nd Ni O3 -","- Nd Ni O3 -","- Nd4 Ni4 O12 -","4","0.5","","Lacorre, P; Torrance, J B; Pannetier, J; Nazzal, A I; Wang, P W; Huang, T C","Synthesis, crystal structure and properties of metallic PrNiO~3~: comparison with metallic NdNiO~3~ and semiconducting SmNiO~3~","Journal of Solid State Chemistry","1991","91","","225","237","10.1016/0022-4596(91)90077-U","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000304","5.3283","0.0001","5.4374","0.0001","7.5675","0.0002","90","","90","","90","","219.2","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Samarium nickel(III) oxide","","- Ni O3 Sm -","- Ni O3 Sm -","- Ni4 O12 Sm4 -","4","0.5","","Lacorre, P; Torrance, J B; Pannetier, J; Nazzal, A I; Wang, P W; Huang, T C","Synthesis, crystal structure and properties of metallic PrNiO~3~: comparison with metallic NdNiO~3~ and semiconducting SmNiO~3~","Journal of Solid State Chemistry","1991","91","","225","237","10.1016/0022-4596(91)90077-U","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000305","5.5676","0.0003","9.2937","0.0007","9.5858","0.0005","90","","93.201","0.006","90","","495.2","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium strontium hexafluorochromate(III) - β","","- Cr F6 Na Sr -","- Cr F6 Na Sr -","- Cr4 F24 Na4 Sr4 -","4","1","","Hemon, A.; Courbion, G.","Synthesis and crystal structures of β-NaSrCrF~6~ and NaSrFeF~6~. Structural correlations with A~2~MF~6~ compounds","European Journal of Solid State and Inorganic Chemistry","1992","29","","519","531","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","200144","2020-10-21","18:00:00",""
"1000306","5.4053","0.0003","9.3103","0.0005","10.3823","0.0008","90","","90","","90","","522.5","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sodium strontium iron(III) hexafluoride","","- F6 Fe Na Sr -","- F6 Fe Na Sr -","- F24 Fe4 Na4 Sr4 -","4","1","","Hemon, A.; Courbion, G.","Synthesis and crystal structures of β-NaSrCrF~6~ and NaSrFeF~6~. Structural correlations with A~2~MF~6~ compounds","European Journal of Solid State and Inorganic Chemistry","1992","29","","519","531","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","200144","2020-10-21","18:00:00",""
"1000307","5.4535","0.0001","5.4535","0.0001","13.101","0.0003","90","","90","","120","","337.4","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Lanthanum nickel(III) oxide","","- La Ni O3 -","- La Ni O3 -","- La6 Ni6 O18 -","6","0.166667","","García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.","Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition","Physical Review B: Condensed Matter and Materials Physics","1992","46","8","4414","4425","10.1103/PhysRevB.46.4414","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","288307","2023-12-14","12:42:39",""
"1000308","5.4535","0.0001","5.4535","0.0001","13.1014","0.0003","90","","90","","120","","337.4","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Lanthanum nickel(III) oxide","","- La Ni O3 -","- La Ni O3 -","- La6 Ni6 O18 -","6","0.166667","","García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.","Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition","Physical Review B: Condensed Matter and Materials Physics","1992","46","8","4414","4425","10.1103/PhysRevB.46.4414","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","288307","2023-12-14","12:42:39",""
"1000309","5.4536","0.0001","5.4536","0.0001","13.1062","0.0003","90","","90","","120","","337.6","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Lanthanum nickel(III) oxide","","- La Ni O3 -","- La Ni O3 -","- La6 Ni6 O18 -","6","0.166667","","García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.","Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition","Physical Review B: Condensed Matter and Materials Physics","1992","46","8","4414","4425","10.1103/PhysRevB.46.4414","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","288307","2023-12-14","12:42:39",""
"1000310","5.4573","0.0001","5.4573","0.0001","13.1462","0.0003","90","","90","","120","","339.1","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Lanthanum nickel(III) oxide","","- La Ni O3 -","- La Ni O3 -","- La6 Ni6 O18 -","6","0.166667","","García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.","Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition","Physical Review B: Condensed Matter and Materials Physics","1992","46","8","4414","4425","10.1103/PhysRevB.46.4414","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","288307","2023-12-14","12:42:39",""
"1000311","5.4155","0.0001","5.3884","0.0001","7.6164","0.0001","90","","90","","90","","222.3","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni4 O12 Pr4 -","4","0.5","","García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.","Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition","Physical Review B: Condensed Matter and Materials Physics","1992","46","8","4414","4425","10.1103/PhysRevB.46.4414","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","288307","2023-12-14","12:42:39",""
"1000312","5.4133","0.0001","5.3828","0.0001","7.6227","0.0001","90","","90","","90","","222.1","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni4 O12 Pr4 -","4","0.5","","García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.","Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition","Physical Review B: Condensed Matter and Materials Physics","1992","46","8","4414","4425","10.1103/PhysRevB.46.4414","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","288307","2023-12-14","12:42:39",""
"1000313","5.4115","0.0001","5.3763","0.0001","7.6163","0.0001","90","","90","","90","","221.6","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni4 O12 Pr4 -","4","0.5","","García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.","Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition","Physical Review B: Condensed Matter and Materials Physics","1992","46","8","4414","4425","10.1103/PhysRevB.46.4414","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","288307","2023-12-14","12:42:39",""
"1000314","5.4193","0.0001","5.3801","0.0001","7.6263","0.0001","90","","90","","90","","222.4","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni4 O12 Pr4 -","4","0.5","","García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.","Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition","Physical Review B: Condensed Matter and Materials Physics","1992","46","8","4414","4425","10.1103/PhysRevB.46.4414","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","288307","2023-12-14","12:42:39",""
"1000315","5.3824","0.0003","5.3861","0.0002","7.6066","0.0003","90","","90","","90","","220.5","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Neodymium nickel(III) oxide","","- Nd Ni O3 -","- Nd Ni O3 -","- Nd4 Ni4 O12 -","4","0.5","","García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.","Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition","Physical Review B: Condensed Matter and Materials Physics","1992","46","8","4414","4425","10.1103/PhysRevB.46.4414","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","288307","2023-12-14","12:42:39",""
"1000316","5.3836","0.0002","5.3863","0.0002","7.6078","0.0003","90","","90","","90","","220.6","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Neodymium nickel(III) oxide","","- Nd Ni O3 -","- Nd Ni O3 -","- Nd4 Ni4 O12 -","4","0.5","","García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.","Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition","Physical Review B: Condensed Matter and Materials Physics","1992","46","8","4414","4425","10.1103/PhysRevB.46.4414","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","288307","2023-12-14","12:42:39",""
"1000317","5.3879","0.0004","5.3797","0.0003","7.6058","0.0004","90","","90","","90","","220.5","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Neodymium nickel(III) oxide","","- Nd Ni O3 -","- Nd Ni O3 -","- Nd4 Ni4 O12 -","4","0.5","","García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.","Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition","Physical Review B: Condensed Matter and Materials Physics","1992","46","8","4414","4425","10.1103/PhysRevB.46.4414","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","288307","2023-12-14","12:42:39",""
"1000318","5.3891","0.0003","5.3816","0.0002","7.6101","0.0003","90","","90","","90","","220.7","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Neodymium nickel(III) oxide","","- Nd Ni O3 -","- Nd Ni O3 -","- Nd4 Ni4 O12 -","4","0.5","","García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.","Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition","Physical Review B: Condensed Matter and Materials Physics","1992","46","8","4414","4425","10.1103/PhysRevB.46.4414","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","288307","2023-12-14","12:42:39",""
"1000319","5.5063","0.0003","5.5063","0.0003","21.0295","0.0015","90","","90","","90","","637.6","","","","","","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","","Tribarium bis(oxohexafluorotantalate)","","- Ba3 F12 O2 Ta2 -","- Ba3 F12 O2 Ta2 -","- Ba6 F24 O4 Ta4 -","2","0.125","","Crosnier-Lopez, M P; Laligand, Y; Fourquet, J L","A new oxyfluoride Ba~3~Ta~2~O~2~F~12~: structural approach","European Journal of Solid State Inorganic Chemistry","1993","30","","155","163","","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000320","13.365","0.003","5.097","0.001","6.638","0.001","90","","106.45","0.02","90","","433.7","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dibarium cerium tris(carbonate) fluoride","","- C3 Ba2 Ce F O9 -","- C3 Ba2 Ce F O9 -","- C6 Ba4 Ce2 F2 O18 -","2","0.5","","Mercier, N; Leblanc, M","Crystal growth and structures of rare earth fluorocarbonates: I. Structures of BaSm(CO~3~)~2~F and Ba~3~La~2~(CO~3~)~5~F~2~: revision of the corresponding huanghoite and cebaite type structures","European Journal of Solid State Inorganic Chemistry","1993","30","","195","205","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1000321","4.889","0.001","8.539","0.003","9.588","0.003","90","","90","","90","","400.3","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Barium copper carbonate difluoride","","- C Ba Cu F2 O3 -","- C Ba Cu F2 O3 -","- C4 Ba4 Cu4 F8 O12 -","4","0.25","","Mercier, N; Leblanc, M","Existence of 3d transition metal fluorocarbonates: synthesis, characterization of BaM(CO~3~)F~2~ (M=Mn, Cu) and crystal structure of BaCu(CO~3~)F~2~","European Journal of Solid State Inorganic Chemistry","1993","30","","217","225","","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000322","13.455","0.001","13.455","0.001","18.902","0.001","90","","90","","90","","3422","","","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","Tetragallium tris(phosphate) difluoride dihydroxide dihydrate","","- F2 Ga4 H6 O16 P3 -","- F2 Ga4 H6 O16 P3 -","- F16 Ga32 H48 O128 P24 -","8","0.5","","Loiseau, T; Ferey, G","Oxyfluorinated microporous compounds: III. Synthesis and crystal structure of a new gallophosphate: Ga~4~P~3~O~12~F~2~(OH)~2~(H~2~O)~2~, 0.5 DABCO","European Journal of Solid State Inorganic Chemistry","1993","30","","369","381","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000323","15.447","0.005","11.638","0.008","11.809","0.002","90","","109.92","0.02","90","","1995.9","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Barium copper iron fluoride (10/12/1/47)","","- Ba10 Cu12 F47 Fe -","- Ba10 Cu12 F47 Fe -","- Ba20 Cu24 F94 Fe2 -","2","0.25","","Renaudin, J; Ferey, G; de Kozak, A; Samouel, M; Gredin, P","Complex copper(II) fluorides: XIV. The average crystal structure ofBa~10~Cu~12~FeF~47~","European Journal of Solid State Inorganic Chemistry","1993","30","","401","411","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000324","22.672","0.002","13.075","0.001","14.996","0.001","90","","114.234","0.005","90","","4053.6","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Barium fluoroniobate *","","- Ba4 F12 Nb2 O3 -","- Ba4 F12 Nb2 O3 -","- Ba48 F144 Nb24 O36 -","12","1.5","","Crosnier-Lopez, M P; Fourquet, J L","Synthesis and crystal structure of Ba~4~Nb~2~O~3~F~12~","Journal of Solid State Chemistry","1993","103","","131","138","10.1006/jssc.1993.1085","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000325","7.3591","0.0004","23.0897","0.001","5.7054","0.0002","90","","90","","90","","969.5","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Dipotassium catena-fluoroferrate(III)","","- F5 Fe K2 -","- F5 Fe K2 -","- F40 Fe8 K16 -","8","1","","Fourquet, J L; Duroy, H","K~2~FeF~5~: synthesis and crystal structure of a new form","Journal of Solid State Chemistry","1993","103","","353","358","10.1006/jssc.1993.1110","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000326","4.7496","0.0005","17.606","0.002","5.0617","0.0006","90","","90","","90","","423.3","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Tetralithium zinc diindium dodecafluoride","","- F12 In2 Li4 Zn -","- F12 In2 Li4 Zn -","- F24 In4 Li8 Zn2 -","2","0.25","","Maguer, J J; Courbion, G","A tri-$-alpha-PbO~2~ related structure:Li~4~ZnIn~2~F~12~","Journal of Solid State Chemistry","1993","103","","466","471","10.1006/jssc.1993.1124","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000327","8.253","0.002","8.253","0.002","8.253","0.002","90","","90","","90","","562.1","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Bismuth tantalum diphosphate (0.5/0.5/1)","","- Bi0.5 O7 P2 Ta0.5 -","- Bi0.5 O7 P2 Ta0.5 -","- Bi2 O28 P8 Ta2 -","4","0.166667","","Oyetola, S; Verbaere, A; Guyomard, D; Crosnier, M P; Piffard, Y; Tournoux, M","New ZrP~2~O~7~-like diphosphates of either mixed (M^III^~1/2~M'^V^~1/2~) cations (M=Sb,Bi,Nd,Eu;M'=Sb, Nb,Ta) or M'^V^ cations (M'=Ta,Nb):synthesis and structure","European Journal of Solid State Inorganic Chemistry","1991","28","","23","36","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000328","8.109","0.001","8.109","0.001","8.109","0.001","90","","90","","90","","533.2","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Tantalum phosphorus oxide (0.9/1.9/7)","","- O7 P1.901 Ta0.899 -","- O7 P1.902 Ta0.899 -","- O28 P7.608 Ta3.596 -","4","0.166667","","Oyetola, S; Verbaere, A; Guyomard, D; Crosnier, M P; Piffard, Y; Tournoux, M","New ZrP~2~O~7~-like diphosphates of either mixed (M^III^~1/2~M'^V^~1/2~) cations (M=Sb,Bi,Nd,Eu;M'=Sb, Nb,Ta) or M'^V^ cations (M'=Ta,Nb):synthesis and structure","European Journal of Solid State Inorganic Chemistry","1991","28","","23","36","","","","","","","0.014","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000329","10.063","0.009","5.567","0.006","14.88","0.01","90","","90","","90","","833.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tribarium hexafluoroaluminate trifluoride - Ib","","- Al Ba3 F9 -","- Al Ba3 F9 -","- Al4 Ba12 F36 -","4","0.5","","Renaudin, J; Ferey, G; de Kozak, A; Samouel, M","Crystal structure of a polytypic form of Ba~3~AlF~9~(form Ib)","European Journal of Solid State Inorganic Chemistry","1991","28","","373","381","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000330","9.458","0.003","6.966","0.002","11.787","0.004","90","","90","","90","","776.6","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dibarium yttrium dicarbonate trifluoride","","- C2 Ba2 F3 O6 Y -","- C2 Ba2 F3 O6 Y -","- C8 Ba8 F12 O24 Y4 -","4","0.5","","Mercier, N; Leblanc, M","Synthesis and crystal structure of fluorocarbonates Ba~2~M(CO~3~)~2~F~3~ (M=Y,Gd)","European Journal of Solid State Inorganic Chemistry","1991","28","","727","735","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000331","9.513","0.001","6.978","0.001","11.864","0.004","90","","90","","90","","787.6","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dibarium gadolinium dicarbonate trifluoride","","- C2 Ba2 F3 Gd O6 -","- C2 Ba2 F3 Gd O6 -","- C8 Ba8 F12 Gd4 O24 -","4","0.5","","Mercier, N; Leblanc, M","Synthesis and crystal structure of fluorocarbonates Ba~2~M(CO~3~)~2~F~3~ (M=Y,Gd)","European Journal of Solid State Inorganic Chemistry","1991","28","","727","735","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000332","5.1719","0.0002","13.7555","0.0007","5.5178","0.0002","90","","90","","90","","392.5","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Barium oxotetrafluorotitanate","","- Ba F4 O Ti -","- Ba F4 O Ti -","- Ba4 F16 O4 Ti4 -","4","0.5","","Crosnier, M P; Fourquet, J L","Synthesis and crystal structure of BaTiOF~4~","European Journal of Solid State Inorganic Chemistry","1992","29","","199","206","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000333","12.5858","0.0009","7.4955","0.0005","5.8116","0.0004","90","","90","","90","","548.2","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Dilithium palladium diphosphate","","- Li2 O7 P2 Pd -","- Li2 O7 P2 Pd -","- Li8 O28 P8 Pd4 -","4","0.25","","Laligant, Y","Crystal structure of Li~2~PdP~2~O~7~ solved from X-ray powder diffraction","European Journal of Solid State Inorganic Chemistry","1992","29","","239","247","","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000334","5.0743","0.0002","4.9067","0.0002","8.4083","0.0004","90","","90","","90","","209.4","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","Dilithium titanium tellurium oxide","","- Li2 O6 Te Ti -","- Li2 O6 Te Ti -","- Li4 O12 Te2 Ti2 -","2","0.5","","Crosnier, M P; Delarue, E; Choisnet, J; Fourquet, J L","Li^+^-H^+^ exchange on Li~2~TiTeO~6~","European Journal of Solid State Inorganic Chemistry","1992","39","","321","332","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000335","5.0098","0.0005","4.702","0.0003","8.6118","0.0006","90","","90","","90","","202.9","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","Lithium hydrogen titanium tellurium oxide (.3/1.7/1/1/6)","","- H1.68 Li0.32 O6 Te Ti -","- H0.42 Li0.08 O6 Te Ti -","- H0.84 Li0.16 O12 Te2 Ti2 -","2","0.25","","Crosnier, M P; Delarue, E; Choisnet, J; Fourquet, J L","Li^+^-H^+^ exchange on Li~2~TiTeO~6~","European Journal of Solid State Inorganic Chemistry","1992","39","","321","332","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000336","4.6861","0.0001","4.6861","0.0001","8.8707","0.0003","90","","90","","90","","194.8","","","","","","","","","","","","","5","P 42 n m","P 4n -2n","102","","Lithium hydrogen titanium tellurium (.3/1.7/1/1/6)","","- H1.68 Li0.32 O6 Te Ti -","- H0.42 Li0.08 O6 Te Ti -","- H0.84 Li0.16 O12 Te2 Ti2 -","2","0.25","","Crosnier, M P; Delarue, E; Choisnet, J; Fourquet, J L","Li^+^-H^+^ exchange on Li~2~TiTeO~6~","European Journal of Solid State Inorganic Chemistry","1992","39","","321","332","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000337","14.693","0.003","5.8551","0.0004","7.922","0.002","90","","114.11","0.02","90","","622.1","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Disodium palladium diphosphate","","- Na2 O7 P2 Pd -","- Na2 O7 P2 Pd -","- Na8 O28 P8 Pd4 -","4","0.5","","Laligant, Y","Structure determination of Na~2~PdP~2~O~7~ from X-ray powder diffraction","European Journal of Solid State Inorganic Chemistry","1992","29","","83","94","","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000338","7.262","0.004","20.668","0.008","5.431","0.002","90","","90.76","0.01","90","","815.1","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Disodium tribarium tetrachromium fluoride","","- Ba3 Cr4 F20 Na2 -","- Ba3 Cr4 F20 Na2 -","- Ba6 Cr8 F40 Na4 -","2","0.5","","Abjean, P; Leblanc, M; De, Pape R; Ferey, G","Structure of Na~2~ Ba~3~ Cr~4~ F~20~","Acta Crystallographica C (39,1983-)","1985","41","","1696","1698","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000339","8.7404","0.0008","8.7404","0.0008","8.136","0.001","90","","90","","90","","621.5","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","Dipotassium bis(oxoniobium) cyclo-tetrasilicate","","- K2 Nb2 O14 Si4 -","- K2 Nb2 O14 Si4 -","- K4 Nb4 O28 Si8 -","2","0.25","","Crosnier, M P; Guyomard, D; Verbaere, A; Piffard, Y; Tournoux, M","The potassium niobyl cyclotetrasilicate K~2~(NbO)~2~Si~4~O~12~","Journal of Solid State Chemistry","1992","98","","128","132","10.1016/0022-4596(92)90077-9","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000340","19.959","0.002","7.45","0.001","29.291","0.006","90","","111.244","0.009","90","","4059.4","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Trisodium tetrastrontium fluoropentachromate(III)","","- Cr5 F26 Na3 Sr4 -","- Cr5 F26 Na3 Sr4 -","- Cr40 F208 Na24 Sr32 -","8","1","","Hemon, A; Courbion, G","New pentamers of octahedra: structural and magnetic characterization of Na~3~Sr~4~Cr~5~F~26~","Journal of Solid State Chemistry","1992","98","","358","365","10.1016/S0022-4596(05)80246-4","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000341","11.446","0.002","9.304","0.002","7.252","0.002","90","","126.67","0.02","90","","619.4","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Barium hexafluorooxotitanate","","- Ba2 F6 O Ti -","- Ba2 F6 O Ti -","- Ba8 F24 O4 Ti4 -","4","1","","Crosnier, M P; Fourquet, J L","Synthesis and crystal structure of a new acentric oxyfluoride: Ba~2~TiOF~6~","Journal of Solid State Chemistry","1992","99","","355","363","10.1016/0022-4596(92)90324-O","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000342","9.9259","0.0005","9.9259","0.0005","9.9259","0.0005","90","","90","","90","","977.9","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Barium niobium fluoride hydroxide (1/1/5.5/1.5)","","- Ba F5.5 H1.5 Nb O1.5 -","- Ba F5.4999 H1.7501 Nb O1.5001 -","- Ba8 F43.9992 H14.0008 Nb8 O12.0008 -","8","0.333333","","Crosnier-Lopez, M P; Duroy, H; Fourquet, J L","BaNbF~7-x~(OH)~x~: preparation and crystal structure","European Journal of Solid State Inorganic Chemistry","1993","30","","549","556","","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000343","5.083","0.001","5.083","0.001","23.034","0.005","90","","90","","120","","515.4","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Trisodium dilanthanum tetracarbonate fluoride","","- C4 F La2 Na3 O12 -","- C4 F La2 Na3 O12 -","- C8 F2 La4 Na6 O24 -","2","0.0833333","","Mercier, N; Taulelle, F; Leblanc, M","Growth, structure, NMR characterization of a new fluorocarbonate Na~3~La~2~(CO~3~)~4~F","European Journal of Solid State Inorganic Chemistry","1993","30","","609","617","","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000344","7.3177","0.0011","7.3177","0.0011","15.289","0.003","90","","90","","90","","818.7","","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","Tetraamminepalladium chromate","","- Cr H12 N4 O4 Pd -","- Cr H12 N4 O4 Pd -","- Cr4 H48 N16 O16 Pd4 -","4","0.125","","Laligant, Y","On the first palladium chromate: crystal structure of Pd(NH~3~)~4~(CrO~4~)","European Journal of Solid State Inorganic Chemistry","1993","30","","681","688","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1000345","9.945","0.004","10.277","0.001","9.673","0.001","90","","90","","90","","988.6","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Barium tetraoxooctafluorodivanadate","","- Ba3 F8 O4 V2 -","- Ba3 F8 O4 V2 -","- Ba12 F32 O16 V8 -","4","0.5","","Crosnier-Lopez, M P; Duroy, H; Fourquet, J L","Ba~3~V~2~O~4~F~8~:(V~4~(O,F)~20~)^8-^ tetrameric groups of octahedra inserted in a tridimensional network of (FBa~4~) tetrahedra","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1597","1602","10.1002/zaac.19936190915","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000346","6.6","0.003","8.048","0.004","9.759","0.005","106.08","0.03","103.72","0.03","102.28","0.02","461.9","","","","","","","","","","","","","4","P -1","-P 1","2","","Tricopper tetrairon(III) hexakis(vanadate) - $-beta","","- Cu3 Fe4 O24 V6 -","- Cu3 Fe4 O24 V6 -","- Cu3 Fe4 O24 V6 -","1","0.5","","Lafontaine, M A; Greneche, J M; Laligant, Y; Ferey, G","$-beta-Cu~3~Fe~4~(VO~4~)~6~: Structural study and relationships; physical properties","Journal of Solid State Chemistry","1994","108","","1","10","10.1006/jssc.1994.1001","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000347","3.9171","0.0001","3.9171","0.0001","25.307","0.001","90","","90","","90","","388.3","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Neodymium nickel oxide (4/3/8)","","- Nd4 Ni3 O8 -","- Nd4 Ni3 O8 -","- Nd8 Ni6 O16 -","2","0.0625","","Lacorre, Ph","Passage from T-type to T'-type arrangement by reducing R~4~Ni~3~O~10~ to R~4~Ni~3~O~8~ (R=La, Pr, Nd)","Journal of Solid State Chemistry","1992","97","","495","500","10.1016/0022-4596(92)90061-Y","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000348","3.5837","0.0004","9.854","0.001","9.537","0.001","90","","90","","90","","336.8","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Manganese aluminium fluoride","","- Al F5 Mn -","- Al F5 Mn -","- Al4 F20 Mn4 -","4","0.25","","Ferey, G; Leblanc, M; Mercier, A - M","A new refinement of the crystal structure of MnAlF~5~: new structural correlations with MnCrF~5~ and Cr~2~F~5~ using orthogonal subcell twinning","Journal of Solid State Chemistry","1993","102","","9","19","10.1006/jssc.1993.1003","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000349","9.593","0.002","9.742","0.002","9.981","0.002","90","","90","","90","","932.8","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ammonium oxonium gallium phosphate hydroxide fluoride *","","- F0.5 Ga H4.43 N0.93 O4.57 P -","- F0.5 Ga H8.86 N0.93 O4.57 P -","- F4 Ga8 H70.88 N7.44 O36.56 P8 -","8","2","","Ferey, G; Loiseau, T; Lacorre, P; Taulelle, F","Oxyfluorinated microporous compounds. I. Crystal structure of (NH~4~)~0.93~(H~3~O)~0.07~GaPO~4~(OH)~0.5~ F~0.5~: reexamination of the structure of AlPO~4~-CJ2","Journal of Solid State Chemistry","1993","105","","179","190","10.1006/jssc.1993.1206","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000350","9.416","0.008","9.563","0.005","9.933","0.004","90","","90","","90","","894.4","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ammonium oxonium alumimium phosphate hydroxide fluoride *","","- Al F0.675 H4.205 N0.88 O4.445 P -","- Al F0.675 H8.41 N0.88 O4.445 P -","- Al8 F5.4 H67.28 N7.04 O35.56 P8 -","8","2","","Ferey, G; Loiseau, T; Lacorre, P; Taulelle, F","Oxyfluorinated microporous compounds. I. Crystal structure of (NH~4~)~0.93~(H~3~O)~0.07~GaPO~4~(OH)~0.5~ F~0.5~: reexamination of the structure of AlPO~4~-CJ2","Journal of Solid State Chemistry","1993","105","","179","190","10.1006/jssc.1993.1206","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000351","5.184","0.001","5.184","0.001","13.04","0.005","90","","90","","90","","350.4","","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","Iron phosphate fluoride hydroxide hydrate (1.2/1/0.5/0.2/0.4)","","- F0.45 Fe1.21 H0.92 O4.55 P -","- F0.45 Fe1.212 H0.23 O4.55 P -","- F1.8 Fe4.848 H0.92 O18.2 P4 -","4","0.125","","Loiseau, Th; Lacorre, Ph; Calage, Y; Greneche, J M; Ferey, G","Crystal structure and magnetic study of a new iron(III) phosphate, Fe~1.21~PO~4~X (X=F, OH, H~2~O), isostructural with 3MgSO~4~ . Mg(OH)~2~ . H~2~O","Journal of Solid State Chemistry","1993","105","","417","427","10.1006/jssc.1993.1234","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000352","22.633","0.003","7.804","0.001","7.748","0.001","90","","90","","90","","1368.5","","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","Tribarium diniobium dioxide dodecafluoride dihydrate","","- Ba3 F12 H4 Nb2 O4 -","- Ba3 F12 H4 Nb2 O4 -","- Ba12 F48 H16 Nb8 O16 -","4","0.5","","Crosnier-Lopez, M P; Fourquet, J L","Ba~3~Nb~2~O~2~F~12~.2H~2~O: Synthesis and crystal structure","Journal of Solid State Chemistry","1993","105","","92","99","10.1006/jssc.1993.1196","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000353","11.935","0.001","11.935","0.001","7.852","0.001","90","","90","","120","","968.6","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Barium tris(oxohexafluoroniobate) hydrogendifluoride","","- Ba5 F20 H Nb3 O3 -","- Ba5 F20 H0.1667 Nb3 O3 -","- Ba10 F40 H0.3334 Nb6 O6 -","2","0.166667","","Crosnier-Lopez, M P; Duroy, H; Fourquet, J L","Ba~5~Nb~3~O~3~F~18~(HF~2~): synthesis and crystal structure","Journal of Solid State Chemistry","1993","107","","211","217","10.1006/jssc.1993.1340","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000354","12.9399","0.0008","12.9399","0.0008","7.1275","0.0003","90","","90","","120","","1033.5","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Copper iron vanadium oxide (6/0.9/6/19)","","- Cu6 Fe0.9 O19 V6 -","- Cu6 Fe0.9 O19 V6 -","- Cu18 Fe2.7 O57 V18 -","3","0.166667","","Permer, L; Laligant, Y; Ferey, G; Calage, Y","Crystal structure, magnetic, and Moessbauer studies of Cu~6~Fe~0.9~V~6~O~19~: a compound with relaxation effect","Journal of Solid State Chemistry","1993","107","","539","546","10.1006/jssc.1993.1379","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000355","5.935","0.006","10.282","0.002","13.368","0.013","90","","106.78","0.07","90","","781","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","Copper(I) chromium hexathio-duo-diphosphate(IV)","","- Cr Cu P2 S6 -","- Cr Cu P2 S6 -","- Cr4 Cu4 P8 S24 -","4","2","","Maisonneuve, V; Cajipe, V B; Payen, C","Low-temperature neutron powder diffraction study of CuCrP~2~S~6~: observation of an ordered, antipolar copper sublattice","Chemistry of Materials (1,1989-","1993","5","","758","760","10.1021/cm00030a006","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000356","7.4618","0.0004","7.4618","0.0004","15.5565","0.001","90","","90","","90","","866.2","","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","Tetraamminepalladium molybdate","","- H12 Mo N4 O4 Pd -","- H12 Mo N4 O4 Pd -","- H48 Mo4 N16 O16 Pd4 -","4","0.125","","Laligant, Y","Crystal structure of the first palladium ammine molybdate: Pd(NH~3~)~4~(MoO~4~)","European Journal of Solid State Inorganic Chemistry","1993","30","","1017","1023","","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1000357","3.8463","0.0004","3.8018","0.0004","12.154","0.001","90","","90","","90","","177.7","","","","","","","","","","","","","6","P m m m","-P 2 2","47","","Mercury praseodymium strontium calcium copper oxide (0.4/1.1/2/0.5/2/7)","","- Ca0.5 Cu2 Hg0.4 O7 Pr1.1 Sr2 -","- Ca0.5 Cu2 Hg0.4 O7 Pr1.1 Sr2 -","- Ca0.5 Cu2 Hg0.4 O7 Pr1.1 Sr2 -","1","0.125","","Hervieu, M; Van Tendeloo, G; Maignan, A; Michel, C; Goutenoire, F; Raveau, B","New 1212-type superconductors with a T~c~ up to 85K in the system Hg-Pr- Sr-Ca-Cu-O","Physica C (Amsterdam) (152,1988-)","1993","216","","264","272","10.1016/0921-4534(93)90070-7","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000358","7.92","0.001","27.60799","0.002","7.375","0.001","90","","90","","90","","1612.6","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Barium oxotetrafluorovanadate(IV)","","- Ba F4 O V -","- Ba F4 O V -","- Ba16 F64 O16 V16 -","16","1","","Crosnier-Lopez, M P; Duroy, H; Fourquet, J L","Crystal structure of a new acentric oxide fluoride of V^IV^: BaVOF~4~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","620","","309","312","10.1002/zaac.19946200216","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000359","12.993","0.003","6.468","0.001","10.64","0.003","90","","90","","90","","894.2","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","Ammonium iron(III) phosphate fluoride","","- F Fe H4 N O4 P -","- F Fe H8 N O4 P -","- F8 Fe8 H64 N8 O32 P8 -","8","2","","Loiseau, Th; Calage, Y; Lacorre, P; Ferey, G","NH~4~FePO~4~F: structural study and magnetic properties","Journal of Solid State Chemistry","1994","111","","390","396","10.1006/jssc.1994.1244","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000360","10.372","0.003","10.805","0.003","44.98","0.02","90","","90","","90","","5040.9","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Heptasodium distrontium tecto-fluoroheptaferrate(III)","","- F32 Fe7 Na7 Sr2 -","- F32 Fe7 Na7 Sr2 -","- F256 Fe56 Na56 Sr16 -","8","0.25","","Hemon-Ribaud, A; Greneche, J M; Courbion, G","Synthesis, crystal structure, and magnetic study of Na~7~Sr~2~Fe~7~F~32~","Journal of Solid State Chemistry","1994","112","","82","91","10.1006/jssc.1994.1269","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000361","11.519","0.003","13.456","0.003","5.974","0.001","90","","90","","90","","926","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Tribarium scandium carbonate heptafluoride","","- C Ba3 F7 O3 Sc -","- C Ba3 F7 O3 Sc -","- C4 Ba12 F28 O12 Sc4 -","4","0.25","","Mercier, N.; Leblanc, M.","A scandium fluorocarbonate, Ba~3~Sc(CO~3~)F~7~","Acta Crystallographica, Section C: Crystal Structure Communications","1994","50","12","1862","1864","10.1107/s0108270194007328","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000362","6.596","0.004","10.774","0.004","14.09","0.01","90","","90","","90","","1001.3","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Disodium europium carbonate trifluoride","","- C Eu F3 Na2 O3 -","- C Eu F3 Na2 O3 -","- C8 Eu8 F24 Na16 O24 -","8","1","","Mercier, N; Leblanc, M","A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~","Acta Crystallographica C (39,1983-)","1994","50","","1864","1865","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000363","7.4289","0.0008","6.203","0.001","3.5574","0.0006","90","","90","","90","","163.9","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Iron aluminium fluoride","","- Al F5 Fe -","- Al F5 Fe -","- Al2 F10 Fe2 -","2","0.125","","Fourquet, J L; Calage, Y; Bentrup, U","FeAlF~5~: Synthesis and crystal structure","Journal of Solid State Chemistry","1994","108","","189","192","10.1006/jssc.1994.1029","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000364","5.59","0.001","9.978","0.004","7.544","0.001","90","","103.36","0.01","90","","409.4","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Copper niobium trihydroxide tetrafluoride trihydrate","","- Cu F4 H9 Nb O6 -","- Cu F4 H15.5 Nb O6 -","- Cu2 F8 H31 Nb2 O12 -","2","0.5","","Crosnier-Lopez, M P; Duroy, H; Fourquet, J L","About the crystal structure of CuNb(OH, F)~7~.3H~2~O","Journal of Solid State Chemistry","1994","108","","398","401","10.1006/jssc.1994.1058","","","","","","0.0272","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000365","6.2096","0.00008","6.2096","0.00008","12.9628","0.0002","90","","90","","90","","499.8","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Trilithium thorium fluoride","","- F7 Li3 Th -","- F7 Li3 Th -","- F28 Li12 Th4 -","4","0.25","","Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D","Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways","European Journal of Solid State Inorganic Chemistry","1992","29","","497","504","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000366","6.21785","0.00006","6.21785","0.00006","12.9836","0.0002","90","","90","","90","","502","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Trilithium thorium fluoride","","- F7 Li3 Th -","- F7 Li3 Th -","- F28 Li12 Th4 -","4","0.25","","Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D","Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways","European Journal of Solid State Inorganic Chemistry","1992","29","","497","504","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000367","6.2301","0.00007","6.2301","0.00007","13.0153","0.0002","90","","90","","90","","505.2","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Trilithium thorium fluoride","","- F7 Li3 Th -","- F7 Li3 Th -","- F28 Li12 Th4 -","4","0.25","","Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D","Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways","European Journal of Solid State Inorganic Chemistry","1992","29","","497","504","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000368","6.24774","0.00008","6.24774","0.00008","13.0604","0.0002","90","","90","","90","","509.8","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Trilithium thorium fluoride","","- F7 Li3 Th -","- F7 Li3 Th -","- F28 Li12 Th4 -","4","0.25","","Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D","Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways","European Journal of Solid State Inorganic Chemistry","1992","29","","497","504","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000369","3.8289","0.0001","3.8289","0.0001","41.75699","0.001","90","","90","","90","","612.2","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Mercury dithallium(III) tribarium strontium dicopper oxide","","- Ba3 Cu2 Hg O10 Sr Tl2 -","- Ba3 Cu2 Hg O10 Sr Tl2 -","- Ba6 Cu4 Hg2 O20 Sr2 Tl4 -","2","0.0625","","Goutenoire, F; Hervieu, M; Martin, C; Maignan, A; Michel, C; Letouze, F; Raveau, B","Cationic substitutions in the ""2201-1201"" intergrowth Hg Tl2 Ba4 Cu2 O10","Chemistry of Materials (1,1989-","1994","6","","1654","1658","10.1021/cm00046a017","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000370","10.945","0.002","10.945","0.002","14.756","0.004","90","","90","","120","","1530.8","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Tricaesium nonafluorodigallate","","- Cs3 F9 Ga2 -","- Cs3 F9 Ga2 -","- Cs18 F54 Ga12 -","6","0.5","","de Kozak, A; Mary, Y; Gredin, P; Renaudin, J; Ferey, G; Babel, D","The crystal structure of the binuclear fluorocompound Cs3 Ga2 F9","European Journal of Solid State Inorganic Chemistry","1994","31","","115","122","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000371","10.658","0.001","20.62799","0.002","17.55099","0.002","90","","113.038","0.007","90","","3550.9","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triammonia tris(tetraamminepalladium) heptamolybdate(VI)","","- H45 Mo7 N15 O24 Pd3 -","- H45 Mo7 N15 O24 Pd3 -","- H180 Mo28 N60 O96 Pd12 -","4","1","","Laligant, Y","Crystal structure of the heptamolybdate(VI) (paramolybdate) (N H3)3 (Pd (N H3)4)3 Mo7 O24","European Journal of Solid State Inorganic Chemistry","1994","31","","211","222","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1000372","3.972","0.001","5.038","0.002","9.005","0.005","90","","90","","90","","180.2","","","","","","","","","","","","","5","P m c 21","P 2c -2","26","","Potassium copper carbonate fluoride","","- C Cu F K O3 -","- C Cu F K O3 -","- C2 Cu2 F2 K2 O6 -","2","0.5","","Mercier, N; Leblanc, M","Synthesis, characterization and crystal structure of a new copper fluorocarbonate K Cu (C O3) F","European Journal of Solid State Inorganic Chemistry","1994","31","","423","430","","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000373","6.399","0.001","3.59","0.001","7.22","0.002","90","","110.29","0.01","90","","155.6","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Sodium vanadium dioxide difluoride","","- F2 Na O2 V -","- F2 Na O2 V -","- F4 Na2 O4 V2 -","2","1","","Crosnier-Lopez, M - P; Duroy, H; Fourquet, J - L; Abrabri, M","Synthesis and crystal structure of Na V O2 F2","European Journal of Solid State Inorganic Chemistry","1994","31","","957","965","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000374","17.036","0.002","11.489","0.001","7.62","0.002","90","","101.48","0.01","90","","1461.6","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Barium iron fluoride hydroxide hydrate (7/6/26.7/5.3/2)","","- Ba7 F26.7 Fe6 H9.3 O7.3 -","- Ba7 F26.7008 Fe6 H11.6242 O7.2992 -","- Ba14 F53.4016 Fe12 H23.2484 O14.5984 -","2","0.25","","Crosnier-Lopez, M P; Calage, Y; Duroy, H; Fourquet, J L","Ba7 Fe6 F32 . 2(H2 O): original isolated trimers (Fe3 F16)(7-) in a new defective jarlite-type compound","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1025","1032","10.1002/zaac.19956210622","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000375","17.02299","0.001","11.482","0.001","7.624","0.001","90","","101.13","0.01","90","","1462.1","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Heptabarium bis(16-fluorotriferrate(III)) dihydrate","","- Ba7 F32 Fe6 H4 O2 -","- Ba7 F32 Fe6 H4 O2 -","- Ba14 F64 Fe12 H8 O4 -","2","0.25","","Crosnier-Lopez, M P; Calage, Y; Duroy, H; Fourquet, J L","Ba7 Fe6 F32 . 2(H2 O): original isolated trimers (Fe3 F16)(7-) in a new defective jarlite-type compound","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1025","1032","10.1002/zaac.19956210622","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1000376","20.118","0.003","5.597","0.001","9.44","0.002","89.75","0.02","105.79","0.02","89.38","0.02","1022.7","","","","","","","","","","","","","3","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","Octalead iron diiron(III) fluoride","","- F24 Fe3 Pb8 -","- F24 Fe3 Pb8 -","- F48 Fe6 Pb16 -","2","","","Pierrard, A; de Kozak, A; Gredin, P; Renaudin, J","The crystal structure of Pb8 Fe(II) Fe(III)2 F24: an ordered fluorite- like compound","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1053","1057","10.1002/zaac.19956210627","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000377","9.689","0.001","9.703","0.001","9.788","0.001","90","","102.78","0.02","90","","897.4","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ammonium aquahydroxobis(phosphato)digallate hydrate","","- Ga2 H9 N O11 P2 -","- Ga2 H13 N O11 P2 -","- Ga8 H52 N4 O44 P8 -","4","1","","Loiseau, T; Ferey, G","Crystal structure of (N H4) (Ga2 (P O4)2(O H)(H2 O)),(H2 O), isotypic with ALPO4-15","European Journal of Solid State Inorganic Chemistry","1994","31","","575","581","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000378","6.0956","0.0004","10.5645","0.0006","13.623","0.0008","90","","107.101","0.003","90","","838.5","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Copper indium hexathiodiphosphate(IV) (1/1/1)","","- Cu0.975 In P2 S6 -","- Cu0.975 In P2 S6 -","- Cu3.9 In4 P8 S24 -","4","1","","Maisonneuve, V; Evain, M; Payen, C; Cajipe, V B; Molinie, P","Room-temperature crystal structure of the layered phase Cu(I) In(III) P2 S6","Journal of Alloys Compd.","1995","218","","157","164","10.1016/0925-8388(94)01416-7","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000379","3.3255","0.0001","11.022","0.001","10.479","0.001","90","","90","","90","","384.1","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Calcium dithallate","","- Ca O4 Tl2 -","- Ca O4 Tl2 -","- Ca4 O16 Tl8 -","4","0.25","","Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B","Chemical twinning of the rock salt structure: Ca Tl2 O4 and Ca2 Tl2 O5, the first two members of the new series Can Tl2 On+3","Journal of Solid State Chemistry","1995","114","","428","434","10.1006/jssc.1995.1065","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000380","3.3431","0.0001","11.159","0.001","13.499","0.001","90","","90","","90","","503.6","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Calcium thallium oxide (1.9/2.1/5)","","- Ca1.88 O5 Tl2.12 -","- Ca1.88 O5 Tl2.12 -","- Ca7.52 O20 Tl8.48 -","4","0.25","","Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B","Chemical twinning of the rock salt structure: Ca Tl2 O4 and Ca2 Tl2O5, the first two members of the new series Can Tl2 On+3","Journal of Solid State Chemistry","1995","114","","428","434","10.1006/jssc.1995.1065","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000381","10.6829","0.0002","10.6829","0.0002","10.6829","0.0002","90","","90","","90","","1219.2","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1.8/0.1/2/6.1)","","- Nb2 O6.07 Tl2 -","- Nb2 O6.07 Tl2 -","- Nb16 O48.56 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000382","10.6418","0.0002","10.6418","0.0002","10.6418","0.0002","90","","90","","90","","1205.2","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1.7/0.3/2/6.3)","","- Nb2 O6.271 Tl2 -","- Nb2 O6.271 Tl2 -","- Nb16 O50.168 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000383","10.6399","0.0002","10.6399","0.0002","10.6399","0.0002","90","","90","","90","","1204.5","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1.6/0.4/2/6.4)","","- Nb2 O6.43 Tl2 -","- Nb2 O6.43 Tl2 -","- Nb16 O51.44 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000384","10.6397","0.0002","10.6397","0.0002","10.6397","0.0002","90","","90","","90","","1204.4","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1.5/0.5/2/6.5)","","- Nb2 O6.49 Tl2 -","- Nb2 O6.49 Tl2 -","- Nb16 O51.92 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000385","10.637","0.0002","10.637","0.0002","10.637","0.0002","90","","90","","90","","1203.5","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1.4/0.6/2/6.6)","","- Nb2 O6.588 Tl2 -","- Nb2 O6.588 Tl2 -","- Nb16 O52.704 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000386","10.6313","0.0002","10.6313","0.0002","10.6313","0.0002","90","","90","","90","","1201.6","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1.4/0.6/2/6.6)","","- Nb2 O6.648 Tl2 -","- Nb2 O6.648 Tl2 -","- Nb16 O53.184 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000387","10.622","0.0002","10.622","0.0002","10.622","0.0002","90","","90","","90","","1198.4","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1/1/2/7)","","- Nb2 O7 Tl2 -","- Nb2 O7 Tl2 -","- Nb16 O56 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000388","11.248","0.002","16.51299","0.002","3.3329","0.0003","90","","90","","90","","619","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Tricalcium dithallate","","- Ca2.8 O6 Tl2.2 -","- Ca2.8 O6 Tl2.2 -","- Ca11.2 O24 Tl8.8 -","4","0.5","","Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B","The calcium thallate Ca3 Tl2 O6, third member of the series Can Tl2 On+3","Journal of Solid State Chemistry","1995","115","","508","513","10.1006/jssc.1995.1166","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000389","7.7","0.002","5.801","0.002","8.939","0.002","90","","106.85","0.02","90","","382.1","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dibarium phyllo-heptafluorochlorodizincate","","- Ba2 Cl F7 Zn2 -","- Ba2 Cl F7 Zn2 -","- Ba4 Cl2 F14 Zn4 -","2","0.5","","Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J","Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+))","Journal of Solid State Chemistry","1995","115","","98","111","10.1006/jssc.1995.1108","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000390","7.692","0.003","5.783","0.002","8.945","0.002","90","","106.88","0.02","90","","380.8","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dibarium phyllo-heptafluorochlorodicobaltate","","- Ba2 Cl Co2 F7 -","- Ba2 Cl Co2 F7 -","- Ba4 Cl2 Co4 F14 -","2","0.5","","Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J","Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+))","Journal of Solid State Chemistry","1995","115","","98","111","10.1006/jssc.1995.1108","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000391","7.766","0.003","5.844","0.001","8.932","0.004","90","","106.64","0.01","90","","388.4","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dibarium phyllo-heptafluorochloromanganoniccolate","","- Ba2 Cl F7 Mn Ni -","- Ba2 Cl F7 Mn Ni -","- Ba4 Cl2 F14 Mn2 Ni2 -","2","0.5","","Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J","Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+))","Journal of Solid State Chemistry","1995","115","","98","111","10.1006/jssc.1995.1108","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000392","4.77944","0.00004","4.77944","0.00004","18.21109","0.0002","90","","90","","90","","416","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Tetracalcium dithallium carbonate hexaoxide","","- C Ca4 O9 Tl2 -","- C Ca4 O9 Tl2 -","- C2 Ca8 O18 Tl4 -","2","0.0625","","Caignaert, V; Hervieu, M; Goutenoire, F; Raveau, B","New thallium oxycarbonates built up from rock salt layers: A4 Tl2 C O3 O6 (A=Ca,Sr,Ba)","Journal of Solid State Chemistry","1995","116","","321","328","10.1006/jssc.1995.1221","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000393","5.9422","0.0005","26.39499","0.003","5.959","0.0005","90","","90","","90","","934.6","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Tribarium tantalum oxide nonafluoride","","- Ba3 F9 O Ta -","- Ba3 F9 O Ta -","- Ba12 F36 O4 Ta4 -","4","0.25","","Crosnier-Lopez, M - P; Duroy, H; Fourquet, J - L; Laligant, Y","Synthesis and crystal structure of Ba3 Ta O F9","European Journal of Solid State Inorganic Chemistry","1995","92","","457","468","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000394","4.8866","0.0006","8.531","0.001","9.582","0.001","90","","90","","90","","399.5","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Barium copper carbonate difluoride","","- C Ba Cu F2 O3 -","- C Ba Cu F2 O3 -","- C4 Ba4 Cu4 F8 O12 -","4","0.5","","Leblanc, M; Mercier, N; Attfield, J - P","Revision of the structure of Ba Cu (C O3) F2 by neutron diffraction","European Journal of Solid State Inorganic Chemistry","1995","32","","535","538","","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000395","7.006","0.002","11.181","0.003","21.86499","0.006","90","","90","","90","","1712.8","","","","","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","Potassium gadolinium carbonate difluoride","","- C F2 Gd K O3 -","- C F2 Gd K O3 -","- C16 F32 Gd16 K16 O48 -","16","0.5","","Mercier, N; Leblanc, M; Antic-Fidancev, E; Lemaitre-Blaise, M; Porcher, P","Structure and optical properties of K Gd (C O3) F2 : Eu(3+)","Journal of Alloys Compd.","1995","225","","198","202","10.1016/0925-8388(94)07093-8","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000396","9.1546","0.0002","9.1546","0.0002","9.1546","0.0002","90","","90","","90","","767.2","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Zirconium tungstate","","- O8 W2 Zr -","- O8 W2 Zr -","- O32 W8 Zr4 -","4","0.333333","","Auray, M; Quarton, M; Leblanc, M","Zirconium tungstate","Acta Crystallographica C (39,1983-)","1995","51","","2210","2213","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000397","10.731","0.001","10.731","0.001","12.803","0.002","90","","90","","120","","1276.8","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Barium copper fluoride chloride (5/4/17/1)","","- Ba5 Cl Cu4 F17 -","- Ba5 Cl Cu4 F17 -","- Ba15 Cl3 Cu12 F51 -","3","0.25","","Fompeyrine, J; Nazabal, V; Darriet, J; Courbion, G","Ba5 Cu4 F17 Cl: a new copper chlorofluoride with chains structure. Structural and magnetic properties","European Journal of Solid State Inorganic Chemistry","1995","32","","977","995","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000398","16.07199","0.003","10.822","0.001","7.258","0.001","90","","101.23","0.01","90","","1238.2","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Strontium sodium aluminium fluoride (7/2/6/34)","","- Al6 F34 Na2 Sr7 -","- Al6 F34 Na2 Sr7 -","- Al12 F68 Na4 Sr14 -","2","0.25","","Hemon-Ribaud, A; Crosnier-Lopez, M P; Fourquet, J L; Courbion, G","On new fluorides with the jarlite-type structure: crystal structures of Na2 Sr7 Al6 F34, Na2 Sr6 Zn Fe6 F34 and Ba7 Ga6 (F, OH)32 . 2H2O","Journal of Fluorine Chemistry","1994","68","","155","163","10.1016/0022-1139(93)03035-K","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000399","16.90799","0.002","11.406","0.001","7.542","0.001","90","","101.28","0.01","90","","1426.4","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Barium gallium fluoride hydroxide hydrate (7/6/16/16/2)","","- Ba7 F16 Ga6 H20 O18 -","- Ba7 F16 Ga6 H20 O18 -","- Ba14 F32 Ga12 H40 O36 -","2","0.25","","Hemon-Ribaud, A; Crosnier-Lopez, M P; Fourquet, J L; Courbion, G","On new fluorides with the jarlite-type structure: crystal structures of Na2 Sr7 Al6 F34, Na2 Sr6 Zn Fe6 F34 and Ba7 Ga6 (F, OH)32 . 2H2O","Journal of Fluorine Chemistry","1994","68","","155","163","10.1016/0022-1139(93)03035-K","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000400","16.16699","0.003","11.013","0.001","15.09","0.002","90","","101.72","0.01","90","","2630.7","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Strontium sodium zinc iron fluoride (6/2/1/6/34)","","- F34 Fe6 Na1.96 Sr6.04 Zn -","- F34 Fe6 Na1.96 Sr6.04 Zn -","- F136 Fe24 Na7.84 Sr24.16 Zn4 -","4","0.5","","Hemon-Ribaud, A; Crosnier-Lopez, M P; Fourquet, J L; Courbion, G","On new fluorides with the jarlite-type structure: crystal structures of Na2 Sr7 Al6 F34, Na2 Sr6 Zn Fe6 F34 and Ba7 Ga6 (F, OH)32 . 2H2O","Journal of Fluorine Chemistry","1994","68","","155","163","10.1016/0022-1139(93)03035-K","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000401","7.645","0.002","7.645","0.002","7.645","0.002","90","","90","","90","","446.8","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Niobic acid","","- H Nb O3 -","- H1.02 Nb O3 -","- H8.16 Nb8 O24 -","8","0.166667","","Fourquet, J-L; Renou, M-F; De Pape, R","La reaction d'echange topotactique Li Nb O3 -> H Nb O3 en milieu acide","Revue de Chimie Minerale","1984","21","","383","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000402","7.477","0.001","10.862","0.002","6.652","0.001","90","","90","","90","","540.2","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Iron iron(III) fluoride dihydrate","","- F5 Fe2 H4 O2 -","- F5 Fe2 H4 O2 -","- F20 Fe8 H16 O8 -","4","0.25","","Laligant, Y; Pannetier, J; Labbe, P; Ferey, G","A new refinement of the crystal structure of the inverse Weberite Fe2 F5 (H2 O)2","Journal of Solid State Chemistry","1986","62","","274","277","10.1016/0022-4596(86)90240-9","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000403","5.365","0.001","6.95","0.001","7.433","0.001","65.05","0.01","70.26","0.02","73.19","0.02","233","","","","","","","","","","","","","4","P -1","-P 1","2","","Barium vanadium copper fluoride (2/2/1/12)","","- Ba2 Cu F12 V2 -","- Ba2 Cu F12 V2 -","- Ba2 Cu F12 V2 -","1","0.5","","Renaudin, J; Laligant, Y; Samouel, M; de Kozak, A; Ferey, G","Complex copper(II) fluorides III. Crystal structure of Ba2 Cu V2 F12; A new bidimensional M X4 network","Journal of Solid State Chemistry","1986","62","","158","163","10.1016/0022-4596(86)90226-4","","","","","","0.0327","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000404","7.472","0.001","10.928","0.001","6.606","0.002","90","","90","","90","","539.4","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Iron Iron(III) pentafluoride dihydrate","","- F5 Fe2 H4 O2 -","- F5 Fe2 H4 O2 -","- F20 Fe8 H16 O8 -","4","0.25","","Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G","Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character","Journal of Physics C","1986","19","","1081","1095","10.1088/0022-3719/19/8/007","","","","","","0.0568","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000405","7.469","0.001","10.927","0.001","6.602","0.002","90","","90","","90","","538.8","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Iron Iron(III) pentafluoride dihydrate","","- F5 Fe2 H4 O2 -","- F5 Fe2 H4 O2 -","- F20 Fe8 H16 O8 -","4","0.25","","Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G","Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character","Journal of Physics C","1986","19","","1081","1095","10.1088/0022-3719/19/8/007","","","","","","0.0651","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000406","7.47","0.001","10.93","0.001","6.603","0.001","90","","90","","90","","539.1","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Iron Iron(III) pentafluoride dihydrate","","- F5 Fe2 H4 O2 -","- F5 Fe2 H4 O2 -","- F20 Fe8 H16 O8 -","4","0.25","","Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G","Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character","Journal of Physics C","1986","19","","1081","1095","10.1088/0022-3719/19/8/007","","","","","","0.0417","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000407","5.1418","0.0001","5.1418","0.0001","12.807","0.0002","90","","90","","90","","338.6","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Thallium tetrafluoroaluminate - II","","- Al F4 Tl -","- Al F4 Tl -","- Al4 F16 Tl4 -","4","0.125","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0298","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000408","5.1376","0.0002","5.1301","0.0001","12.7822","0.0003","90","","90.119","0.002","90","","336.9","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Thallium tetrafluoroaluminate - III","","- Al F4 Tl -","- Al F4 Tl -","- Al4 F16 Tl4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0365","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000409","5.1138","0.0002","5.0912","0.0002","12.6878","0.0006","90","","90.289","0.007","90","","330.3","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Thallium tetrafluoroaluminate - III","","- Al F4 Tl -","- Al F4 Tl -","- Al4 F16 Tl4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0454","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000410","5.101","0.0003","5.0745","0.0003","12.6324","0.0007","90","","90.355","0.008","90","","327","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Thallium tetrafluoroaluminate - III","","- Al F4 Tl -","- Al F4 Tl -","- Al4 F16 Tl4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0463","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000411","18.17","0.002","6.652","0.001","10.328","0.001","90","","117.1","0.01","90","","1111.3","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dibarium pentacopper fluoride - α","","- Ba2 Cu5 F14 -","- Ba2 Cu5 F14 -","- Ba8 Cu20 F56 -","4","0.5","","de Kozak, A.; Samouel, M.; Renaudin, J.; Ferey, G.","Fluorures complexes de cuivre II. V. Structure cristalline de α-Ba~2~Cu~5~F~14~","Revue de Chimie Minerale","1986","23","","352","361","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","200126","2020-10-21","18:00:00",""
"1000412","20.04999","0.01","7.291","0.005","7.834","0.005","90","","90","","90","","1145.2","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Diguanidinium aluminium pentafluoride dihydrate","","- C2 H16 Al F5 N6 O2 -","- C2 H16 Al F5 N6 O2 -","- C8 H64 Al4 F20 N24 O8 -","4","0.5","","Fourquet, J L; Plet, F; De Pape, R","La structure cristalline de (C (N H2)3)2 Al F5 (H2 O)2","Revue de Chimie Minerale","1986","23","","183","190","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1000413","14.13","0.005","14.13","0.005","14.13","0.005","90","","90","","90","","2821.2","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Triguanidinium hexafluoroferrate(III)","","- C3 H18 F6 Fe N9 -","- C3 H18 F6 Fe N9 -","- C24 H144 F48 Fe8 N72 -","8","0.333333","","Fourquet, J L; Plet, F; Calage, Y; DePape, R","Crystal structure and magnetic characterization of (C (N H2)3)3 Fe F6","Journal of Solid State Chemistry","1987","69","","76","80","10.1016/0022-4596(87)90012-0","","","","","","0.0409","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1000414","5.468","0.002","5.535","0.002","12.547","0.003","90","","90","","90","","379.7","","","","","","","","","","","","","3","P n c b :1","P 2 2 -1bc","50","","Dilanthanum niccolate","","- La2 Ni O4 -","- La2 Ni O4 -","- La8 Ni4 O16 -","4","0.5","","Odier, P; Leblanc, M; Choisnet, J","Structural characterization of an orthorhombic form of La Ni O4","Materials Research Bulletin","1986","21","","787","796","10.1016/0025-5408(86)90163-7","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000415","3.9236","0.0001","3.9236","0.0001","28.993","0.001","90","","90","","90","","446.3","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Mercury barium praseodymium copper oxide (1.5/2/1.3/2.2/8)","","- Ba2 Cu2.2 Hg1.5 O8 Pr1.3 -","- Ba2 Cu2.2 Hg1.5 O8 Pr1.3 -","- Ba4 Cu4.4 Hg3 O16 Pr2.6 -","2","0.0625","","Martin, C; Hervieu, M; Van Tendeloo, G; Goutenoire, F; Michel, C; Maignan, A; Raveau, B","A mercury based cuprate with the 2212 structure: Hg2-x (Cu, Pr)x Ba2 Pr Cu2 O8-d","Solid State Communications","1995","93","1","53","56","10.1016/0038-1098(94)00722-5","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000416","11.118","0.003","3.341","0.001","12.287","0.003","90","","102.88","0.02","90","","444.9","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Calcium thallium(III) oxide (3.1/3.9/9)","","- Ca3.06 O9 Tl3.94 -","- Ca3.06 O9 Tl3.94 -","- Ca6.12 O18 Tl7.88 -","2","0.25","","Goutenoire, F; Caignaert, V; Hervieu, M; Raveau, B","The calcium thallate Ca3 Tl4 O9, an intergrowth of the Ca Tl2 O4 and Ca2 Tl2 O5 structures, member n=1.5 of the series Can Tl2 On+3","Journal of Solid State Chemistry","1995","119","","134","141","10.1016/0022-4596(95)80020-P","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000417","8.9295","0.0009","8.9295","0.0009","5.0642","0.0002","90","","90","","120","","349.7","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Sodium calcium pentafluoroaluminate fluoride - $-beta","","- Al Ca F6 Na -","- Al Ca F6 Na -","- Al3 Ca3 F18 Na3 -","3","0.5","","Hemon, A; Courbion, G","The Na F - Ca F2 - Al F3 system: structures of $-beta- Na Ca Al F6 and Na4 Ca4 Al7 F33","Journal of Solid State Chemistry","1990","84","","153","164","10.1016/0022-4596(90)90194-3","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000418","10.781","0.003","10.781","0.003","10.781","0.003","90","","90","","90","","1253.1","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Sodium calcium aluminium fluoride (4.03/4/7/33)","","- Al7 Ca4 F33 Na4.032 -","- Al7 Ca4 F33 Na4.032 -","- Al14 Ca8 F66 Na8.064 -","2","0.0208333","","Hemon, A; Courbion, G","The Na F - Ca F2 - Al F3 system: structures of $-beta- Na Ca Al F6 and Na4 Ca4 Al7 F33","Journal of Solid State Chemistry","1990","84","","153","164","10.1016/0022-4596(90)90194-3","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000419","12.506","0.001","3.6406","0.0006","9.902","0.001","90","","90","","90","","450.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sodium cadmium pentafluoroaluminate fluoride","","- Al Cd F6 Na -","- Al Cd F6 Na -","- Al4 Cd4 F24 Na4 -","4","0.5","","Hemon, A; Courbion, G","Na Cd Al F6: a new structure with (Al F5)n(2n-) chains and ""independent F(-)""","Journal of Solid State Chemistry","1990","86","","249","254","10.1016/0022-4596(90)90140-S","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000420","7.7526","0.0001","7.5228","0.0001","7.4477","0.0001","90","","124.081","0.001","90","","359.8","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Chromium(II) chromium fluoride","","- Cr2 F5 -","- Cr2 F5 -","- Cr8 F20 -","4","0.5","","Lacorre, P; Ferey, G; Pannetier, J","The magnetic structure of Cr2 F5","Journal of Solid State Chemistry","1992","96","","227","236","10.1016/S0022-4596(05)80315-9","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000421","4.1974","0.0006","14.546","0.003","5.8391","0.0008","90","","90","","90","","356.5","","","","295","","","","","","","","","3","C m c 21","C 2c -2","36","","Barium tetrafluorozincate","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","","Lapasset, J; Bordallo, H N; Almairac, R; Nouet, J","Crystal structures of barium zincate fluoride, Ba Zn F4 at 295 and 113 K","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","934","935","","","","","","","0.0327","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000422","4.1843","0.0012","14.496","0.004","5.8253","0.0015","90","","90","","90","","353.3","","","","113","","","","","","","","","3","C m c 21","C 2c -2","36","","Barium tetrafluorozincate","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","","Lapasset, J; Bordallo, H N; Almairac, R; Nouet, J","Crystal structures of barium zincate fluoride, Ba Zn F4 at 295 and 113 K","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","934","935","","","","","","","0.0252","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000423","26.60999","0.01","7.506","0.002","11.602","0.004","90","","107.43","0.02","90","","2210.9","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Dicaesium zirconium hexasilicate","","- Cs2 O15 Si6 Zr -","- Cs2 O15 Si6 Zr -","- Cs12 O90 Si36 Zr6 -","6","0.75","","Jolicart, G; Leblanc, M; Morel, B; Dehaudt, Ph; Dubois, S","Hydrothermal synthesis and structure determination of Cs2 Zr Si6 O15","European Journal of Solid State Inorganic Chemistry","1996","33","","647","657","","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000424","16.375","0.002","11.233","0.002","7.615","0.001","90","","102.67","0.01","90","","1366.6","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Lead iron iron(III) fluoride (7/1/6/34)","","- F34 Fe7 Pb7 -","- F34 Fe7 Pb7 -","- F68 Fe14 Pb14 -","2","0.25","","Pierrard, A; de Kozak, A; Gredin, P; Renaudin, J","The crystal structure of Pb7 Fe(II) Fe(III)6 F34: a new jarlite-type compound","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1200","1204","10.1002/zaac.19966220716","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000425","6.473","0.002","7.853","0.005","10.718","0.003","90","","90","","90","","544.8","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Caesium pentafluorodipalladate","","- Cs F5 Pd2 -","- Cs F5 Pd2 -","- Cs4 F20 Pd8 -","4","0.25","","Ruchaud, N; Grannec, J; Tressaud, A; Ferey, G","Magnetic structure of Cs Pd2 F5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1958","1962","10.1002/zaac.19956211121","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000426","7.525","0.007","5.9","0.003","9.64","0.005","90","","90","","90","","428","","","","","","","","","","","","synthetic at 773K, 180 MPa, 72 h","6","P n m a","-P 2ac 2n","62","","Lead iron copper oxide vanadate hydroxide (2.9/1.1/4/1.6/4/2)","Mottramite","- Cu4 Fe1.12 H2 O19.6 Pb2.88 V4 -","- Cu4 Fe1.12 H2 O19.6 Pb2.88 V4 -","- Cu4 Fe1.12 H2 O19.6 Pb2.88 V4 -","1","0.125","","Permer, L; Laligant, Y; Ferey, G","Crystal structure of (Pb2.8 Fe1.2) Cu4 O1.6 (V O4)4 (O H)2 ; structural relationships with mineral gamagarite","European Journal of Solid State Inorganic Chemistry","1993","30","","383","392","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000427","6.9909","0.0003","7.9593","0.0003","18.89629","0.0008","90","","95.176","0.003","90","","1047.2","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Dibismuth tetratellurium oxide","Chekhovichite","- Bi2 O11 Te4 -","- Bi2 O11 Te4 -","- Bi8 O44 Te16 -","4","1","","Rossell, H. J.; Leblanc, M.; Ferey, G.; Bevan, D. J. M.; Simpson, D. J.; Taylor, M. R.","On the crystal structure of Bi2Te4O11 Locality: synthetic","Australian Journal of Chemistry","1992","45","","1415","1425","10.1071/CH9921415","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000428","9.888","0.0001","9.888","0.0001","3.217","0.0001","90","","90","","120","","272.4","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Barium calcium indium oxide (0.86/2/6/12)","","- Ba0.86 Ca2 In6 O12 -","- Ba0.86 Ca2 In6 O12 -","- Ba0.86 Ca2 In6 O12 -","1","0.0833333","","Baldinozzi, G; Goutenoire, F; Hervieu, M; Suard, E; Grebille, D","Incommensurate modulated disorder in Ba0.85 Ca2.15 In6 O12","Acta Crystallographica B (39,1983-)","1996","52","","780","789","","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000429","9.888","0.0001","9.888","0.0001","3.217","0.0001","90","","90","","120","","272.4","","","","","","","","","","","","","4","P 3","P 3","143","","Barium calcium indium oxide (0.83/2.10/6/12)","","- Ba0.83 Ca2.1 In6 O12 -","- Ba0.83 Ca2.1 In6 O12 -","- Ba0.83 Ca2.1 In6 O12 -","1","0.333333","","Baldinozzi, G; Goutenoire, F; Hervieu, M; Suard, E; Grebille, D","Incommensurate modulated disorder in Ba0.85 Ca2.15 In6 O12","Acta Crystallographica B (39,1983-)","1996","52","","780","789","","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000430","5.207","0.001","12.216","0.001","7.037","0.001","90","","103","0.02","90","","436.1","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Strontium phosphatodifluoroferrate(III)","","- F2 Fe O4 P Sr -","- F2 Fe O4 P Sr -","- F8 Fe4 O16 P4 Sr4 -","4","1","","Le Meins, J-M; Hemon-Ribaud, A; Laligant, Y; Courbion, G","A new fluorophosphate with a laueite-type structural unit: synthesis, TEM study and crystal structure of Sr Fe P O4 F2","European Journal of Solid State Inorganic Chemistry","1997","34","","391","404","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000431","8.3125","0.0003","9.4055","0.0004","14.5768","0.0006","90","","102.231","0.002","90","","1113.8","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Diiron(III) tetravanadate(V)","","- Fe2 O13 V4 -","- Fe2 O13 V4 -","- Fe8 O52 V16 -","4","1","","Permer, L; Laligant, Y","Crystal structure of the tetrapolyvanadate Fe2 V4 O13","European Journal of Solid State Inorganic Chemistry","1997","34","","41","52","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000432","3.066","0.001","5.066","0.001","9.874","0.002","90","","90","","90","","153.4","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","(Ramsdellite group)","Lithium iron(III) tin(IV) oxide","","- Fe Li O4 Sn -","- Fe Li O4 Sn -","- Fe2 Li2 O8 Sn2 -","2","0.25","","Lacorre, P; Hervieu, M; Pannetier, J; Choisnet, J; Raveau, B","Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a nonstoichiometric ramsdellite and its transition to a double hexagonal close packed structure for x = 0","Journal of Solid State Chemistry","1983","50","","196","203","10.1016/0022-4596(83)90188-3","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000433","3.074","0.001","5.116","0.005","9.881","0.003","90","","90","","90","","155.4","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","(Ramsdellite group)","Lithium iron tin oxide (1.417/.75/1.083/4)","","- Fe0.75 Li1.417 O4 Sn1.083 -","- Fe0.75 Li1.416 O4 Sn1.084 -","- Fe1.5 Li2.832 O8 Sn2.168 -","2","0.25","","Lacorre, P; Hervieu, M; Pannetier, J; Choisnet, J; Raveau, B","Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a nonstoichiometric ramsdellite and its transition to a double hexagonal close packed structure for x = 0","Journal of Solid State Chemistry","1983","50","","196","203","10.1016/0022-4596(83)90188-3","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000434","6.012","0.001","6.012","0.001","9.776","0.002","90","","90","","120","","306","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Lithium iron(III) tin(IV) oxide - DH","","- Fe Li O4 Sn -","- Fe Li1.00005 O4 Sn0.99995 -","- Fe4 Li4.0002 O16 Sn3.9998 -","4","0.333333","","Lacorre, P; Hervieu, M; Pannetier, J; Choisnet, J; Raveau, B","Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a nonstoichiometric ramsdellite and its transition to a double hexagonal close packed structure for x = 0","Journal of Solid State Chemistry","1983","50","","196","203","10.1016/0022-4596(83)90188-3","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000435","9.8232","0.0006","9.7376","0.0008","9.8716","0.0008","90","","102.803","0.008","90","","920.8","","","","","","","","","","","","synthetic","5","P 1 21/n 1","-P 2yn","14","","Diiron(III) ammonium hydroxide bis(phosphate(V)) dihydrate","Spheniscidite","- Fe2 H9 N O11 P2 -","- Fe2 H12.5 N O11 P2 -","- Fe8 H50 N4 O44 P8 -","4","1","","Cavellec, M; Riou, D; Ferey, G","Synthetic spheniscidite","Acta Crystallographica C (39,1983-)","1994","50","","1379","1381","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000436","3.8714","0.0001","3.8714","0.0001","7.7789","0.0003","90","","90","","90","","116.6","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Lanthanum lithium titanium oxide (0.6/0.2/1/3)","","- La0.597 Li0.21 O3 Ti -","- La0.592 Li0.21 O3 Ti -","- La1.184 Li0.42 O6 Ti2 -","2","0.125","","Fourquet, J L; Duroy, H; Crosnier-Lopez, M P","Structural and microstructural studies of the series La2/3-x Li3x ( )1/3-2x Ti O3","Journal of Solid State Chemistry","1996","127","","283","294","10.1006/jssc.1996.0385","","","","","","0.113","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000437","3.8741","0.0001","3.8741","0.0001","7.7459","0.0005","90","","90","","90","","116.3","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Lanthanum lithium titanium oxide (0.6/0.3/1/3)","","- La0.557 Li0.33 O3 Ti -","- La0.552 Li0.33 O3 Ti -","- La1.104 Li0.66 O6 Ti2 -","2","0.125","","Fourquet, J L; Duroy, H; Crosnier-Lopez, M P","Structural and microstructural studies of the series La2/3-x Li3x ( )1/3-2x Ti O3","Journal of Solid State Chemistry","1996","127","","283","294","10.1006/jssc.1996.0385","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000438","3.87","","3.87","","7.78","","90","","90","","90","","116.5","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Lanthanum lithium titanium oxide (0.6/0.2/1/3)","","- La0.587 Li0.24 O3 Ti -","- La0.584 Li0.24 O3 Ti -","- La1.168 Li0.48 O6 Ti2 -","2","0.125","","Fourquet, J L; Duroy, H; Crosnier-Lopez, M P","Structural and microstructural studies of the series La2/3-x Li3x ( )1/3-2x Ti O3","Journal of Solid State Chemistry","1996","127","","283","294","10.1006/jssc.1996.0385","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000439","7.6651","0.0013","7.6316","0.0015","6.2789","0.0006","90","","90","","90","","367.3","","","","","","","","","","","","","3","P m a b","-P 2b 2a","57","","Rubidium tetrafluoroferrate(III)","","- F4 Fe Rb -","- F4 Fe Rb -","- F16 Fe4 Rb4 -","4","0.5","","Moron, M C; Bulou, A; Pique, C; Fourquet, J L","Structural phase transitions in Rb Fe F4: I.Powder and single crystal X- ray diffraction study of the room temperature phase","Journal of Physics: Condensed Matter","1990","2","","8269","8275","10.1088/0953-8984/2/42/005","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000440","12.3872","0.0002","10.2046","0.0001","5.4946","0.0001","90","","100.767","0.001","90","","682.3","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Calcium dibarium bis(hydrogenphosphate(V)) bis(dihydrogenphosphate(V))","","- Ba2 Ca H6 O16 P4 -","- Ba2 Ca H3 O16 P4 -","- Ba4 Ca2 H6 O32 P8 -","2","0.5","","Toumi, M.; Chabchoub, S.; Smiri-Dogguy, L.; Laligant, Y.","Ab-initio powder structure determination of CaBa~2~(HPO~4~)~2~(H~2~PO~4~)~2~: a new phosphate with a M(TΦ~4~)~4~ chain structure","European Journal of Solid State and Inorganic Chemistry","1997","34","","1249","1257","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1000441","7.848","0.002","19.86699","0.004","10.773","0.003","90","","90","","90","","1679.7","","","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","Distrontium pentfluoroferrate(III) aquapentafluoroferrate(III)","","- F10 Fe2 H2 O Sr2 -","- F10 Fe2 H2 O Sr2 -","- F80 Fe16 H16 O8 Sr16 -","8","","","Le Meins, J-M; Hemon-Ribaud, A; Courbion, G","Sr2 Fe2 F10 . (H2 O), the first hydrated strontium iron(III) fluoride","Acta Crystallographica C (39,1983-)","1997","53","","1165","1166","","","","","","","0.0772","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000442","4.8437","0.0002","8.33","0.0003","8.9547","0.0004","90","","90","","90","","361.3","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","Aluminium oxide - κ","","- Al2 O3 -","- Al2 O3 -","- Al16 O24 -","8","2","","Ollivier, Benoist; Retoux, Richard; Lacorre, Philippe; Massiot, Dominique; Férey, Gérard","Crystal structure of κ-alumina: an X-ray powder diffraction, TEM and NMR study","Journal of Materials Chemistry","1997","7","6","1049","1056","10.1039/a700054e","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1000443","15.326","0.001","15.326","0.001","15.326","0.001","90","","90","","90","","3599.9","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Oxonium triytterbium decafluoride hydrate","","- F10 H5 O2 Yb3 -","- F10 H5 O2 Yb3 -","- F160 H80 O32 Yb48 -","16","0.0833333","","Maguer, J-J; Crosnier-Lopez, M P; Courbion, G","""Chimie douce"" synthesis and ab initio structure determination of (H3 O) Yb3 F10 . (H2 O) : a diamond type stacking of U O A8","Journal of Solid State Chemistry","1997","128","","42","51","10.1006/jssc.1996.7145","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000444","15.339","0.001","15.339","0.001","15.339","0.001","90","","90","","90","","3609","0.4","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Potassium triytterbium decafluoride hydrate - $-delta","","- F10 H2 K O Yb3 -","- F10 H2 K O Yb3 -","- F160 H32 K16 O16 Yb48 -","16","0.0833333","","Maguer, J-J; Crosnier-Lopez, M P; Courbion, G","""Chimie douce"" synthesis and ab initio structure determination of (H3 O) Yb3 F10 . (H2 O) : a diamond type stacking of U O A8","Journal of Solid State Chemistry","1997","128","","42","51","10.1006/jssc.1996.7145","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000445","6.3385","0.0003","7.6191","0.0002","11.0298","0.0004","90","","90","","90","","532.7","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diammonium catena-pentafluoroferrate(III) - $-beta","","- F5 Fe H8 N2 -","- F5 Fe H8 N2 -","- F20 Fe4 H32 N8 -","4","0.5","","Croguennec, L; Deniard, P; Brec, R; Couzi, M; Sourisseau, C; Fourquet, J L; Calage, Y","Structural and spectroscopic evidence for hydrogen bonding induced (N H4)(+) cation ordering in $-beta-(N H4)2 Fe F5 at low temperature","Journal of Solid State Chemistry","1997","131","","189","197","10.1006/jssc.1997.7269","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000446","6.3269","0.0005","7.6076","0.0002","10.9802","0.0009","90","","90","","90","","528.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diammonium catena-pentafluoroferrate(III) - $-beta","","- F5 Fe H8 N2 -","- F5 Fe H14 N2 -","- F20 Fe4 H56 N8 -","4","0.5","","Croguennec, L; Deniard, P; Brec, R; Couzi, M; Sourisseau, C; Fourquet, J L; Calage, Y","Structural and spectroscopic evidence for hydrogen bonding induced (N H4)(+) cation ordering in $-beta-(N H4)2 Fe F5 at low temperature","Journal of Solid State Chemistry","1997","131","","189","197","10.1006/jssc.1997.7269","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000447","7.602","0.001","5.766","0.001","8.788","0.001","90","","106.72","0.01","90","","368.9","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dibarium dinickel heptafluoride chloride","","- Ba2 Cl F7 Ni2 -","- Ba2 Cl F7 Ni2 -","- Ba4 Cl2 F14 Ni4 -","2","0.5","","Fompeyrine, J; Darriet, J; Maguer, J-J; Greneche, J M; Courbion, G; Roisnel, T; Rodriguez-Carvajal, J","Magnetic properties and neutron diffraction study of the chlorofluoride series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn)","Journal of Solid State Chemistry","1997","131","","198","214","10.1006/jssc.1997.7352","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000448","7.746","0.001","5.82","0.001","8.898","0.001","90","","106.63","0.01","90","","384.4","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dibarium manganese nickel heptafluoride chloride","","- Ba2 Cl F7 Mn Ni -","- Ba2 Cl F7 Mn Ni -","- Ba4 Cl2 F14 Mn2 Ni2 -","2","0.5","","Fompeyrine, J; Darriet, J; Maguer, J-J; Greneche, J M; Courbion, G; Roisnel, T; Rodriguez-Carvajal, J","Magnetic properties and neutron diffraction study of the chlorofluoride series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn)","Journal of Solid State Chemistry","1997","131","","198","214","10.1006/jssc.1997.7352","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000449","7.749","0.001","5.771","0.001","8.95","0.001","90","","106.8","0.01","90","","383.2","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dibarium iron cobalt heptafluoride chloride","","- Ba2 Cl Co F7 Fe -","- Ba2 Cl Co F7 Fe -","- Ba4 Cl2 Co2 F14 Fe2 -","2","0.5","","Fompeyrine, J; Darriet, J; Maguer, J-J; Greneche, J M; Courbion, G; Roisnel, T; Rodriguez-Carvajal, J","Magnetic properties and neutron diffraction study of the chlorofluoride series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn)","Journal of Solid State Chemistry","1997","131","","198","214","10.1006/jssc.1997.7352","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000450","9.942","0.002","11.024","0.003","7.147","0.002","90","","90","","90","","783.3","","","","","","","","","","","","","4","A m a 2","A 2 -2a","40","","Trisodium europium tricarbonate","","- C3 Eu Na3 O9 -","- C3 Eu Na3 O9 -","- C12 Eu4 Na12 O36 -","4","0.5","","Mercier, N; Leblanc, M; Antic-Fidancev, E; Lemaitre-Blaise, M","Structural and optical investigations of sodium europium carbonate Na3 Eu (C O3)3","Journal of Solid State Chemistry","1997","132","","33","40","10.1006/jssc.1997.7400","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000451","16.49699","0.001","8.6939","0.0005","11.5174","0.0006","90","","90","","90","","1651.9","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","Tetrabarium heptafluoropentaoxodimolybdate tris(hydrogendifluoride) hydrate","","- Ba4 F13 H5 Mo2 O6 -","- Ba4 F13 H10.5 Mo2 O6 -","- Ba16 F52 H42 Mo8 O24 -","4","0.5","","Fourquet, J L; Duroy, H; Crosnier-Lopez, M P","Synthesis and crystal structure of Ba4 Mo2 O5 F7 (H F2)3.H2 O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","439","443","10.1002/zaac.19976230170","","","","","","0.0295","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000453","3.6586","0.0001","3.6586","0.0001","6.3061","0.0001","90","","90","","90","","84.4","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Rubidium tetrafluoroaluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al F4 Rb -","1","0.0625","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray powder diffraction investigations and neutron powder profile refinement of the structures","Journal of Physics C","1982","15","","183","196","10.1088/0022-3719/15/2/004","","","","","","0.0166","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000454","5.1375","0.0001","5.1375","0.0001","6.2912","0.0001","90","","90","","90","","166","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Rubidium tetrafluoroaluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al2 F8 Rb2 -","2","0.125","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray powder diffraction investigations and neutron powder profile refinement of the structures","Journal of Physics C","1982","15","","183","196","10.1088/0022-3719/15/2/004","","","","","","0.0304","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000455","5.1227","0.0001","5.1227","0.0001","6.2815","0.0002","90","","90","","90","","164.8","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Rubidium tetrafluoroaluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al2 F8 Rb2 -","2","0.125","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray powder diffraction investigations and neutron powder profile refinement of the structures","Journal of Physics C","1982","15","","183","196","10.1088/0022-3719/15/2/004","","","","","","0.0394","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000456","7.2285","0.0002","7.2252","0.0002","6.2624","0.0001","90","","90","","90","","327.1","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Rubidium tetrafluoroaluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al4 F16 Rb4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray powder diffraction investigations and neutron powder profile refinement of the structures","Journal of Physics C","1982","15","","183","196","10.1088/0022-3719/15/2/004","","","","","","0.0425","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000457","7.2124","0.0002","7.2073","0.0002","6.2396","0.0001","90","","90","","90","","324.3","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Rubidium tetrafluoroaluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al4 F16 Rb4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray powder diffraction investigations and neutron powder profile refinement of the structures","Journal of Physics C","1982","15","","183","196","10.1088/0022-3719/15/2/004","","","","","","0.0398","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000458","8.674","0.001","10.19","0.002","16.82599","0.003","90","","94.21","0.02","90","","1483.2","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Trigallium tris(phosphate(V)) difluoride - 1,3-diaminopropane - oxonium (1/0.75/0.5)","","- C2.25 H10.5 F2 Ga3 N1.5 O12.5 P3 -","- C2.25 H10.503 F2 Ga3 N1.501 O12.5 P3 -","- C9 H42.012 F8 Ga12 N6.004 O50 P12 -","4","1","","Loiseau, T; Taulelle, F; Ferey, G","Crystal structure and solid-state nuclear magnetic resonance characterization of an oxyfluorinated three-dimensional framework gallophosphate with ULM-4 structural type. Structural relationships with (Ga As O4)-2","Microporous Materials","1997","9","","83","93","10.1016/S0927-6513(96)00094-6","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000459","5.7747","0.0014","8.4689","0.0011","9.923","0.003","64.77","0.02","82.75","0.02","81.43","0.02","433","","","","","","","","","","","","","5","P 1","P 1","1","","Tetracalcium dialuminium dodecahydroxide carbonate pentahydrate","","- C H22 Al2 Ca4 O20 -","- C H22 Al2 Ca4 O20 -","- C H22 Al2 Ca4 O20 -","1","1","","Francois, M; Renaudin, G; Evrard, O","A cementitious compound with composition 3CaO . Al2O3 . CaCO3 . 11H2O","Acta Crystallographica C (39,1983-)","1998","54","","1214","1217","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000460","5.916","0.001","10.246","0.002","13.415","0.005","90","","107.09","0.03","90","","777.2","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Copper chromium phosphorus sulfide (0.5/0.5/1/3)","","- Cr0.5 Cu0.5 P S3 -","- Cr0.5 Cu0.5 P S3 -","- Cr4 Cu4 P8 S24 -","8","1","","Colombet, P; Leblanc, A; Danot, M; Rouxel, J","Structural aspects and magnetic properties of the lamellar compound Cu0.5 Cr0.5 P S3","Journal of Solid State Chemistry","1982","41","","174","184","10.1016/0022-4596(82)90200-6","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000461","7.2","","7.2","","10.679","","90","","90","","120","","479.4","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Caesium chromium fluoride (4/5/18.24)","","- Cr5 Cs4 F18.24 -","- Cr5 Cs4 F18.24 -","- Cr5 Cs4 F18.24 -","1","0.0833333","","Courbion, G; de Pape, R; Knoke, G; Babel, D","Structures of cesium containing fluorides, VI:The pyrochlore-related layer structures of Cs4 Co Cr4 F18 and Cs4 Cr5 F18+x","Journal of Solid State Chemistry","1983","49","","353","361","10.1016/S0022-4596(83)80013-9","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000462","7.203","","7.203","","10.761","","90","","90","","120","","483.5","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Tetracaesium cobalt tetrachromium fluoride","","- Co Cr4 Cs4 F18.24 -","- Co0.999 Cr4.001 Cs4 F18.24 -","- Co0.999 Cr4.001 Cs4 F18.24 -","1","0.0833333","","Courbion, G; de Pape, R; Knoke, G; Babel, D","Structures of cesium containing fluorides, VI:The pyrochlore-related layer structures of Cs4 Co Cr4 F18 and Cs4 Cr5 F18+x","Journal of Solid State Chemistry","1983","49","","353","361","10.1016/S0022-4596(83)80013-9","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000463","4.0755","0.0006","4.0755","0.0006","15.957","0.001","90","","90","","120","","229.5","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Lanthanum dioxide carbonate","","- C La2 O5 -","- C0.999 La2 O4.999 -","- C1.998 La4 O9.998 -","2","0.0833333","","Attfield, J. P.; Ferey, G.","Structure determination of La2 O2 C O3-II and the unusual disordered phase La2 O2.52 (C O3)0.74 Li0.52 using powder diffraction","Journal of Solid State Chemistry","1989","82","","132","138","10.1016/0022-4596(89)90232-6","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000464","4.0852","0.0004","4.0852","0.0004","16.2211","0.0006","90","","90","","120","","234.4","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Lanthanum oxide carbonate (2/2.3/0.85)","","- C0.85 La2 O4.85 -","- C0.846 La2 O4.846 -","- C1.692 La4 O9.692 -","2","0.0833333","","Attfield, J. P.; Ferey, G.","Structure determination of La2 O2 C O3-II and the unusual disordered phase La2 O2.52 (C O3)0.74 Li0.52 using powder diffraction","Journal of Solid State Chemistry","1989","82","","132","138","10.1016/0022-4596(89)90232-6","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000465","4.058","0.0001","4.058","0.0001","16.22189","0.0001","90","","90","","120","","231.3","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Lithium lanthanum oxide carbonate (0.52/2/2.52/0.74)","","- C0.74 La2 Li0.52 O4.74 -","- C0.741 La2 Li0.52 O4.739 -","- C1.482 La4 Li1.04 O9.478 -","2","0.0833333","","Attfield, J. P.; Ferey, G.","Structure determination of La2 O2 C O3-II and the unusual disordered phase La2 O2.52 (C O3)0.74 Li0.52 using powder diffraction","Journal of Solid State Chemistry","1989","82","","132","138","10.1016/0022-4596(89)90232-6","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000466","9.826","0.002","9.826","0.002","10.106","0.002","90","","90","","120","","845","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Hexaaquairon hexafluorostannate","","- F6 Fe H12 O6 Sn -","- F6 Fe H12 O6 Sn -","- F18 Fe3 H36 O18 Sn3 -","3","0.166667","","Benghalem, A; Leblanc, M; Calage, Y","Room-temperature structure of iron(II) hexafluorostannate(IV) hexahydrate","Acta Crystallographica C (39,1983-)","1990","46","","2453","2454","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000467","4.9305","0.0006","4.9305","0.0006","12.4462","0.0007","90","","90","","120","","262","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Aluminium fluoride","","- Al F3 -","- Al F3 -","- Al6 F18 -","6","0.166667","","Daniel, Ph; Bulou, A; Rousseau, M; Nouet, J; Fourquet, J L; Leblanc, M; Burriel, R","A study of the structural phase transitions in Al F3: X-ray powder diffraction, DSC and Raman scattering investigations of the lattice dynamics and phonon spectrum","Journal of Physics: Condensed Matter","1990","2","","5663","5677","10.1088/0953-8984/2/26/003","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000468","5.168","0.002","5.168","0.002","13.438","0.005","90","","90","","120","","310.8","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Vanadium(III) fluoride","","- F3 V -","- F3 V -","- F18 V6 -","6","0.166667","","Daniel, P; Bulou, A; Leblanc, M; Rousseau, M; Nouet, J","Structural and vibrational study of V F3","Materials Research Bulletin","1990","25","","413","420","10.1016/0025-5408(90)90175-2","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000469","7.342","0.001","7.342","0.001","22.16599","0.003","90","","90","","120","","1034.8","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Caesium niobium oxide cyclo-trisilicate (8/10/23/2)","","- Cs8 Nb10 O41 Si6 -","- Cs8 Nb10 O41.004 Si6 -","- Cs8 Nb10 O41.004 Si6 -","1","0.0416667","","Crosnier, M P; Pagnoux, C; Guyomard, D; Verbaere, A; Piffard, Y; Tournoux, M","The crystal structure of a novel cyclotrisilicate: Cs8 Nb10 O23 (Si3 O9)2. Its relationship with the pyrochlore and benitoite types","European Journal of Solid State Inorganic Chemistry","1991","28","","971","981","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000470","5.016","0.001","5.016","0.001","37.94398","0.006","90","","90","","120","","826.8","","","","","","","","","","","","synthetic","5","R -3 m :H","-R 3 2""","166","","Barium samarium bis(carbonate) fluoride","Huanghoite (Sm)","- C Ba F O6 Sm -","- C2 Ba F O6 Sm -","- C12 Ba6 F6 O36 Sm6 -","6","0.166667","","Mercier, N; Leblanc, M","Crystal growth and structures of rare earth fluorocarbonates: I. Structures of Ba Sm (C O3)2 F and Ba3 La2 (C O3)5 F2: revision of the corresponding huanghoite and cebaite type structures","European Journal of Solid State Inorganic Chemistry","1993","30","","195","205","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1000471","21.47198","0.006","5.098","0.002","13.325","0.003","90","","94.96","0.03","90","","1453.1","","","","","","","","","","","","synthetic","5","C 1 2/m 1","-C 2y","12","","Tribarium dilanthanum pentakis(carbonate) difluoride","Cebaite (La)","- C5 Ba3 F2 La2 O15 -","- C5 Ba3 F2 La2 O15 -","- C20 Ba12 F8 La8 O60 -","4","0.5","","Mercier, N; Leblanc, M","Crystal growth and structures of rare earth fluorocarbonates: I. Structures of Ba Sm (C O3)2 F and Ba3 La2 (C O3)5 F2: revision of the corresponding huanghoite and cebaite type structures","European Journal of Solid State Inorganic Chemistry","1993","30","","195","205","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1000472","6.3089","0.0004","20.10379","0.0008","5.1172","0.0005","90","","91.134","0.006","90","","648.9","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","Pentasodium phyllo-triphosphato(V)divanadate(IV) hydrate","","- H2 Na5 O15 P3 V2 -","- H3 Na5 O15 P3 V2 -","- H6 Na10 O30 P6 V4 -","2","0.5","","Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Leblanc, M; Raveau, B","Na5 V2 P3 O14 . H2 O, a tetravalent vanadium phosphate with alayer structure and a pure pyramidal coordination of V(IV)","Journal of Solid State Chemistry","1992","96","","390","396","10.1016/S0022-4596(05)80273-7","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000473","6.9829","0.0005","10.519","0.001","4.2644","0.0004","90","","99.676","0.008","90","","308.8","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Barium diyttrium fluoride","","- Ba F8 Y2 -","- Ba F8 Y2 -","- Ba2 F16 Y4 -","2","0.25","","Guilbert, L H; Gesland, J Y; Bulou, A; Retoux, R","Structure and Raman spectroscopy of Czochralski-grown barium yttrium and barium ytterbium fluorides crystals","Materials Research Bulletin","1993","28","","923","930","10.1016/0025-5408(93)90039-G","","","","","","0.0461","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000474","9.0268","0.0003","9.0268","0.0003","13.684","0.002","90","","90","","120","","965.6","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Tetrapotassium digadolinium tricarbonate tetrafluoride","","- C3 F4 Gd2 K4 O9 -","- C3 F3.998 Gd2 K4 O9 -","- C9 F11.994 Gd6 K12 O27 -","3","0.166667","","Mercier, N; Leblanc, M; Durand, J","New frequency doubling compounds: K4 Ln2 (C O3)3 F4 (Ln = Pr, Nd, Sm, Gd, Eu); crystal structure and characterization","European Journal of Solid State Inorganic Chemistry","1997","34","","241","249","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000475","7.21","0.001","12.398","0.002","7.333","0.001","90","","90","","90","","655.5","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Gallium fluoride hydrate (1/3/0.07) - $-beta","","- F3 Ga H0.07 O0.07 -","- F3 Ga H0.22 O0.0733333 -","- F36 Ga12 H2.64 O0.88 -","12","0.75","","LeBail, A; Jacoboni, C; LeBlanc, M; de Pape, R; Duroy, H; Fourquet, J L","Crystal structure of the metastable form of aluminium trifluoride $- beta-Al F3 and the gallium and indium homologs","Journal of Solid State Chemistry","1988","77","","96","101","10.1016/0022-4596(88)90095-3","","","","","","0.087","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000476","5.362","0.001","5.362","0.001","5.362","0.001","57.94","0.02","57.94","0.02","57.94","0.02","103.9","","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","Iron trifluoride","","- F3 Fe -","- F3 Fe -","- F6 Fe2 -","2","0.166667","","Leblanc, M; Pannetier, J; Ferey, G; de Pape, R","Single crystal refinement of the structure of rhombohedral Fe F3","Revue de Chimie Minerale","1985","22","","107","114","","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000477","13.365","0.003","5.097","0.001","6.638","0.001","90","","106.45","0.02","90","","433.7","","","","","","","","","","","","synthetic 993 K, 200 MPa for 24 H","5","P 1 21/m 1","-P 2yb","11","","Dibarium cerium tricarbonate fluoride","Zhonghuacerite (Ce)","- C3 Ba2 Ce F O9 -","- C3 Ba2 Ce F O9 -","- C6 Ba4 Ce2 F2 O18 -","2","0.5","","Mercier, N; Leblanc, M","Crystal growth and structures of rare earth fluorocarbonates: II. Structures of zhonghuacerite Ba2 Ce (C O3)3 F. Correlations between huanghoite, cebaite and zhonghuacerite type structures","European Journal of Solid State Inorganic Chemistry","1993","30","","207","216","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1000478","6.133","0.003","7.475","0.004","6.142","0.003","90","","97.17","0.02","90","","279.4","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dipotassium pentafluoroaluminate hydrate","","- Al F5 H2 K2 O -","- Al F5 H2 K2 O -","- Al2 F10 H4 K4 O2 -","2","0.5","","de Kozak, A; Gredin, P; Pierrard, A; Renaudin, J","The crystal structure of a new form of the dipotassium pentafluoroaluminate hydrate, K2 Al F5 . (H2 O), and of its dehydrate, K2 Al F5","Journal of Fluorine Chemistry","1996","77","","39","44","10.1016/0022-1139(95)03377-7","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000479","5.965","0.001","5.965","0.001","3.699","0.001","90","","90","","90","","131.6","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Dipotassium pentafluoroaluminate","","- Al F5 K2 -","- Al F5 K2 -","- Al F5 K2 -","1","0.0625","","de Kozak, A; Gredin, P; Pierrard, A; Renaudin, J","The crystal structure of a new form of the dipotassium pentafluoroaluminate hydrate, K2 Al F5 . (H2 O), and of its dehydrate, K2 Al F5","Journal of Fluorine Chemistry","1996","77","","39","44","10.1016/0022-1139(95)03377-7","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000480","8.629","0.002","8.629","0.002","5.648","0.004","90","","90","","90","","420.5","","","","","","","","","","","","","5","P 4","P 4","75","","Ammonium vanadium(IV) vanadium phosphorus(V) oxide (2/1/1.04/0.96/8)","","- H8 N2 O8 P0.96 V2.04 -","- H16 N2 O8 P0.96 V2.04 -","- H32 N4 O16 P1.92 V4.08 -","2","0.5","","Ninclaus, C; Retoux, R; Riou, D; Ferey, G","Synthesis and structure determination of the disordered V(V)-P compound (N H4)2 V(IV) O (V(V)2-x Px O7)","Journal of Solid State Chemistry","1996","122","","139","142","10.1006/jssc.1996.0093","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000481","10.314","0.005","7.317","0.004","13.463","0.007","90","","90","","90","","1016","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Barium iron fluoride hydrate (1/1/5/1)","","- Ba F5 Fe H2 O -","- Ba F5 Fe H2 O -","- Ba8 F40 Fe8 H16 O8 -","8","1","","Fourquet, J L; Duroy, H","Crystal Structures of Ba Fe F5 * H2 O","European Journal of Solid State Inorganic Chemistry","1989","26","","413","418","","","","","","","0.0357","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000482","6.703","0.002","6.703","0.002","5.63","0.002","90","","90","","90","","253","","","","","","","","","","","","","3","P 42/m","-P 4c","84","","Lanthanum palladium oxide (2/2/5)","","- La2 O5 Pd2 -","- La2 O5 Pd2 -","- La4 O10 Pd4 -","2","0.25","","Attfield, J P; Ferey, G","Structural correlations within the lanthanum palladium oxide family","Journal of Solid State Chemistry","1989","80","","286","298","10.1016/0022-4596(89)90091-1","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000483","4.055","","4.055","","12.62","","90","","90","","90","","207.5","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Lanthanum palladium oxide (2/1/4)","","- La2 O4 Pd -","- La2 O4 Pd -","- La4 O8 Pd2 -","2","0.0625","","Attfield, J P; Ferey, G","Structural correlations within the lanthanum palladium oxide family","Journal of Solid State Chemistry","1989","80","","286","298","10.1016/0022-4596(89)90091-1","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000484","13.469","0.001","4.0262","0.0001","9.448","0.001","90","","133.42","0.01","90","","372.1","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Lanthanum palladium oxide (4/1/7)","","- La4 O7 Pd -","- La4 O7 Pd -","- La8 O14 Pd2 -","2","0.25","","Attfield, J P; Ferey, G","Structural correlations within the lanthanum palladium oxide family","Journal of Solid State Chemistry","1989","80","","286","298","10.1016/0022-4596(89)90091-1","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000485","6.843","0.001","6.843","0.001","12.001","0.003","90","","90","","90","","562","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Barium copper indium fluoride (1/1/1/7)","","- Ba Cu F7 In -","- Ba Cu F7 In -","- Ba4 Cu4 F28 In4 -","4","0.125","","de Kozak, A; Samouel, M; Renaudin, J; Ferey, G","Structure of Ba Cu In F7: The interpretation beween a pyrochlor-like edge-sharing network of octahedra and a defect fluorite structure","Zeitschrift fuer Kristallographie (149,1979-)","1989","189","","77","87","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000486","8.257","0.001","7.205","0.001","13.596","0.002","90","","108.02","0.01","90","","769.2","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Distrontium gallium hydrogenphosphate(V) phosphate(V) difluoride","","- F2 Ga H O8 P2 Sr2 -","- F2 Ga H0.5 O8 P2 Sr2 -","- F8 Ga4 H2 O32 P8 Sr8 -","4","1","","Le Meins, J.-M.; Hemon-Ribaud, A.; Courbion, G.","Synthesis and crystal structure of two fluorophosphated compounds with different infinite sheets: Sr~2~Ga(HPO~4~)(PO~4~)F~2~ and Sr~2~Fe~2~(HPO~4~)(PO~4~)~2~F~2~","European Journal of Solid State and Inorganic Chemistry","1998","35","2","117","132","10.1016/S0992-4361(98)80191-4","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","182184","2020-10-21","18:00:00",""
"1000487","8.072","0.001","8.794","0.001","8.885","0.001","102.46","0.01","115.95","0.01","89.95","0.01","550.6","","","","","","","","","","","","","6","P -1","-P 1","2","","Distrontium diiron(III) hydrogenphosphate(V) bis(phosphate(V)) difluoride","","- F2 Fe2 H O12 P3 Sr2 -","- F2 Fe2 H0.5 O12 P3 Sr2 -","- F4 Fe4 H O24 P6 Sr4 -","2","1","","Le Meins, J.-M.; Hemon-Ribaud, A.; Courbion, G.","Synthesis and crystal structure of two fluorophosphated compounds with different infinite sheets: Sr~2~Ga(HPO~4~)(PO~4~)F~2~ and Sr~2~Fe~2~(HPO~4~)(PO~4~)~2~F~2~","European Journal of Solid State and Inorganic Chemistry","1998","35","2","117","132","10.1016/S0992-4361(98)80191-4","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","182184","2020-10-21","18:00:00",""
"1000488","12.026","0.001","12.199","0.001","4.666","0.001","90","","90","","90","","684.5","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Strontium dialuminium bis(phosphate(V)) difluoride","","- Al2 F2 O8 P2 Sr -","- Al2 F2 O8 P2 Sr -","- Al8 F8 O32 P8 Sr4 -","4","1","","Le Meins, J.-M.; Courbion, G.","Hydrothermal synthesis and crystal structure of SrAl~2~(PO~4~)~2~F~2~: a new three-dimensional framework with channels delimited by a helical anionic border","European Journal of Solid State and Inorganic Chemistry","1998","35","10-11","639","653","10.1016/S0992-4361(99)80005-8","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","182184","2020-10-21","18:00:00",""
"1000489","15.7442","0.0002","15.7442","0.0002","12.5486","0.0002","90","","90","","120","","2693.8","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Hexalithium cyclo-hexaphosphate trihydrate","","- H6 Li6 O21 P6 -","- H6 Li6 O21 P6 -","- H36 Li36 O126 P36 -","6","0.166667","","Toumi, M.; Hlel, F.; Ben Chaabane, T.; Smiri, L.; Laligant, Y.; Emery, J.","X-ray powder structure determination of Li~6~P~6~O~18~ · 3H~2~O","European Journal of Solid State and Inorganic Chemistry","1998","35","10-11","689","697","10.1016/S0992-4361(99)80009-5","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1000490","12.4476","0.0006","12.4476","0.0006","12.9277","0.0007","90","","90","","90","","2003.1","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","Caesium tetrafluorocobaltate","","- Co Cs F4 -","- Co Cs F4 -","- Co20 Cs20 F80 -","20","1.25","","Lacorre, P; Pannetier, J; Fleischer, T; Hoppe, R; Ferey, G","Ordered magnetic frustration: XVI.Magnetic structure of Cs Co F4 at 1.5 K","Journal of Solid State Chemistry","1991","93","","37","45","10.1016/0022-4596(91)90271-I","","","","","","0.114","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000491","12.4353","0.0004","12.4353","0.0004","12.8612","0.0005","90","","90","","90","","1988.8","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","Caesium tetrafluorocobaltate","","- Co Cs F4 -","- Co Cs F4 -","- Co20 Cs20 F80 -","20","1.25","","Lacorre, P; Pannetier, J; Fleischer, T; Hoppe, R; Ferey, G","Ordered magnetic frustration: XVI.Magnetic structure of Cs Co F4 at 1.5 K","Journal of Solid State Chemistry","1991","93","","37","45","10.1016/0022-4596(91)90271-I","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000492","7.31","0.003","7.31","0.003","7.31","0.003","57.45","0.01","57.45","0.01","57.45","0.01","260","","","","","","","","","","","","","4","R -3 m :R","-P 3* 2","166","","Dicaesium sodium phyllo-tetrafluoroaluminate","","- Al3 Cs2 F12 Na -","- Al3 Cs2 F12 Na -","- Al3 Cs2 F12 Na -","1","0.0833333","","Courbion, G; Jacoboni, C; de Pape, R","Structure cristalline de Cs2 Na Al3 F12","Acta Crystallographica B (24,1968-38,1982)","1976","32","","3190","3193","10.1107/S0567740876009928","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000493","10.492","0.005","10.492","0.005","10.492","0.005","90","","90","","90","","1155","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rubidium diniobium pentaoxide fluoride","","- F Nb2 O5 Rb -","- F1.0002 Nb2 O4.9998 Rb -","- F8.0016 Nb16 O39.9984 Rb8 -","8","0.0416667","","Fourquet, J L; Jacoboni, C; de Pape, R","Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans le groupe d'espace FD3M","Materials Research Bulletin","1973","8","","393","404","10.1016/0025-5408(73)90043-3","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000494","10.506","0.005","10.506","0.005","10.506","0.005","90","","90","","90","","1159.6","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium diniobium pentaoxide fluoride","","- F Nb2 O5 Tl -","- F1.0002 Nb2 O4.9998 Tl -","- F8.0016 Nb16 O39.9984 Tl8 -","8","0.0416667","","Fourquet, J L; Jacoboni, C; de Pape, R","Les Pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans les groupe d'espace FD3M","Materials Research Bulletin","1973","8","","393","404","10.1016/0025-5408(73)90043-3","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000495","10.525","0.005","10.525","0.005","10.525","0.005","90","","90","","90","","1165.9","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Caesium diniobium pentaoxide fluoride","","- Cs F Nb2 O5 -","- Cs F1.0002 Nb2 O4.9998 -","- Cs8 F8.0016 Nb16 O39.9984 -","8","0.0416667","","Fourquet, J L; Jacoboni, C; de Pape, R","Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans le groupe d'espace FD3M","Materials Research Bulletin","1973","8","","393","404","10.1016/0025-5408(73)90043-3","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000496","5.125","0.002","5.125","0.002","6.283","0.002","90","","90","","90","","165","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Rubidium tetrafluoroluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al2 F8 Rb2 -","2","0.125","","Fourquet, J L; Plet, F; Courbion, G; Bulou, A; de Pape, R","Etude de la filiation structurale des phases M(I) Al F4 (M(I) = K, Rb, Tl, N H4, Cs)","Revue de Chimie Minerale","1979","16","","490","500","","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000497","7.032","0.002","7.292","0.002","7.505","0.002","94.24","0.02","92.82","0.02","116.39","0.02","342.3","","","","","","","","","","","","","3","P -1","-P 1","2","","Barium zinc fluoride (2/7/18)","","- Ba2 F18 Zn7 -","- Ba2 F18 Zn7 -","- Ba2 F18 Zn7 -","1","0.5","","Renaudin, J; Ferey, G; de Kozak, A; Samouel, M","Structure cristalline de Ba2 Zn7 F18","Revue de Chimie Minerale","1986","23","","497","507","","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000498","5.5075","0.0001","10.9584","0.0002","9.1427","0.0002","90","","94.568","0.002","90","","550","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Barium manganese iron fluoride (1/1/1/7)","","- Ba F7 Fe Mn -","- Ba F7 Fe Mn -","- Ba4 F28 Fe4 Mn4 -","4","1","","Lacorre, P; Pannetier, J; Pebler, J; Nagel, J; Babel, D; de Kozak, A; Samouel, M; Ferey, G","Ordered magnetic frustration: XVII. Is Ba Mn Fe F7 frustrated? Mossbauer spectrocopy, magnetic susceptibility, and magnetic structure at 2 K","Journal of Solid State Chemistry","1992","101","","296","308","10.1016/0022-4596(92)90185-X","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000499","10.277","0.005","10.277","0.005","10.277","0.005","90","","90","","90","","1085.4","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rubidium cobalt hexafluorochromate(III)","","- Co Cr F6 Rb -","- Co Cr F6 Rb -","- Co8 Cr8 F48 Rb8 -","8","0.0416667","","Fourquet, J L; Jacoboni, C; de Pape, R","Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans le groupe d'espace FD3M","Materials Research Bulletin","1973","8","","393","404","10.1016/0025-5408(73)90043-3","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000500","17.0051","0.0002","17.0051","0.0002","6.8607","0.0001","90","","90","","120","","1718.1","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Lanthanum molybdenum oxide (7/7/30)","","- La7 Mo7 O30 -","- La7 Mo7 O30 -","- La21 Mo21 O90 -","3","0.166667","","Goutenoire, F; Retoux, R; Suard, E; Lacorre, P","Ab initio determination of the novel perovskite-related structure of La7 Mo7 O30 from powder diffraction","Journal of Solid State Chemistry","1999","142","","228","235","10.1006/jssc.1998.8070","","","","","","0.0418","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000501","17.00639","0.0002","17.00639","0.0002","6.8613","0.0001","90","","90","","120","","1718.5","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Lanthanum molybdenum oxide (7/7/30)","","- La7 Mo7 O30 -","- La7 Mo7 O30 -","- La21 Mo21 O90 -","3","0.166667","","Goutenoire, F; Retoux, R; Suard, E; Lacorre, P","Ab initio determination of the novel perovskite-related structure of La7 Mo7 O30 from powder diffraction","Journal of Solid State Chemistry","1999","142","","228","235","10.1006/jssc.1998.8070","","","","","","0.0515","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000502","10.695","0.006","6.32","0.004","10.328","0.006","90","","117.8","0.04","90","","617.5","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium gadolinium oxide bis(borate)","","- B2 Gd2 Na2 O7 -","- B2 Gd2 Na2 O7 -","- B8 Gd8 Na8 O28 -","4","1","","Corbel, G; Leblanc, M; Antic-Fidancev, E; Lemaitre-Blaise, M","Crystal structure of sodium rare earth oxyborates Na2 Ln2 (B O3)2 O(Ln = Sm, Eu, and Gd) and optical analysis of Na2 Gd2 (B O3)2 O:Eu(3+)","Journal of Solid State Chemistry","1999","144","","35","44","10.1006/jssc.1998.8107","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000503","3.88","","3.88","","32.39999","","90","","90","","90","","487.8","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Lithium lanthanum niobium titanium oxide","","- La2.25 Li2 Nb1.25 O13 Ti2.75 -","- La2.25 Li2 Nb1.25 O13 Ti2.75 -","- La4.5 Li4 Nb2.5 O26 Ti5.5 -","2","0.0625","","Crosnier-Lopez, M P; Bhuvanesh, N S P; Duroy, H; Fourquet, J L","Irreversible electron-induced structural change during HREM imaging in lithium Ruddlesden-Popper phases in the series Li2 La(x) (Nb(2n-3x) Ti(3x-n) O(3n-1)) (n = 2,3,4) and Li2 Sr1.5 (Nb(3-x) Fe(x)) O(10-x)","Journal of Solid State Chemistry","1999","145","","136","149","10.1006/jssc.1999.8232","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000504","5.178","0.003","7.51","0.002","14.381","0.004","90","","90.22","0.02","90","","559.2","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Disodium magnesium digadolinium catena-tetrasilicate difluoride","","- F2 Gd2 Mg Na2 O12 Si4 -","- F2 Gd2 Mg Na2 O12 Si4 -","- F4 Gd4 Mg2 Na4 O24 Si8 -","2","0.5","","Maisonneuve, V; Leblanc, M","The crystal structure of Na2 Mg Gd2 (Si4 O12) F2 and its relationship with leucophanite","Canadian Mineralogist","1998","36","","1039","1043","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000505","9.926","0.0001","8.6189","0.0001","9.7622","0.0001","90","","90","","90","","835.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Gallium phosphate(V) dihydrate","","- Ga H4 O6 P -","- Ga H8 O6 P -","- Ga8 H64 O48 P8 -","8","1","","Loiseau, T; Paulet, C; Ferey, G","Crystal structure determination of the hydrated gallium phosphate Ga P O4 . 2(H2 O), analog of variscite","C. R. Acad. Sci. Paris, T. 1, Serie II","1998","1","","667","674","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000506","8.438","0.002","10.125","0.002","10.853","0.004","106.56","0.02","96.48","0.04","94.03","0.02","877.962","","","","293","","","","","","","","","6","P -1","-P 1","2","","catena-(bis(tris(2-Ammonioethyl)ammonium) tridecakis(μ~2~-fluoro)-hexadecaflu oro-hepta-aluminium dihydrate)","","- C12 H48 Al7 F29 N8 O2 -","- C12 H48 Al15 F58 N8 O2 -","- C12 H48 Al15 F58 N8 O2 -","1","0.5","","E.Goreshnik; M.Leblanc; V.Maisonneuve","","Z.Anorg.Allg.Chem.","2002","628","","162","","10.1002/1521-3749(200201)628:1<162::AID-ZAAC162>3.0.CO;2-K","","","","","","","0.0333","","","0.0333","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000507","9.1111","0.0006","10.2652","0.0008","11.3302","0.0008","110.746","0.007","102.016","0.001","103.035","0.004","915.903","","","","293","","","","","","","","","6","P -1","-P 1","2","","bis(tris(2-Ammonioethyl)ammonium) hydroxonium dodecakis(μ~2~-fluoro)-octadeca fluoro-hepta-aluminium","","- C12 H47 Al7 F30 N8 O -","- C12 H50 Al13 F60 N8 O -","- C12 H50 Al13 F60 N8 O -","1","0.5","","E.Goreshnik; M.Leblanc; V.Maisonneuve","","Z.Anorg.Allg.Chem.","2002","628","","162","","10.1002/1521-3749(200201)628:1<162::AID-ZAAC162>3.0.CO;2-K","","","","","","","0.0489","","","0.0489","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000508","13.7805","0.0012","29.081","0.005","8.4303","0.0012","90","","90","","90","","3378.45","","","","293","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Methyl (4S*,4aS*,8aS*)-4-t-butoxy-8a-methoxy-4a,5,6,7,8,8a-hexahydro-4H-chromene-2-carboxylate","","- C16 H26 O5 -","- C16 H26 O5 -","- C128 H208 O40 -","8","1","","Martel, A.; Leconte, S.; Dujardin, G.; Brown, E.; Maisonneuve, V.; Retoux, R.","Lewis Acid Catalysed [4+2] Heterocycloadditions between Ketone Enol Ethers and β-Ethylenic α-Oxo Esters","European Journal of Organic Chemistry","2002","2002","3","514","525","10.1002/1099-0690(20022)2002:3<514::AID-EJOC514>3.0.CO;2-Z","","","","","","","0.0535","","","0.0535","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1000509","28.084","0.003","8.3502","0.0007","20.303","0.003","90","","98.37","0.02","90","","4710.48","","","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl (4R*,4aS*,8aR*)-8a-t-butyldimethylsiloxy-4-phenyl-4a,5,6,7,8,8a-hexahydro-4H-chromene-2-carboxylate","","- C23 H34 O4 Si -","- C23 H34 O4 Si -","- C184 H272 O32 Si8 -","8","1","","Martel, A.; Leconte, S.; Dujardin, G.; Brown, E.; Maisonneuve, V.; Retoux, R.","Lewis Acid Catalysed [4+2] Heterocycloadditions between Ketone Enol Ethers and β-Ethylenic α-Oxo Esters","European Journal of Organic Chemistry","2002","2002","3","514","525","10.1002/1099-0690(20022)2002:3<514::AID-EJOC514>3.0.CO;2-Z","","","","","","","0.0536","","","0.0536","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1000510","9.4586","0.0017","11.1593","0.0016","12.4892","0.0015","89.406","0.01","72.021","0.013","70.117","0.011","1172.52","","","","293","","","","","","","","","4","P -1","-P 1","2","","Methyl (4R*,4aS*,8aS*)-8a-t-butyldimethylsiloxy-4-phenyl-4a,5,6,7,8,8a-hexahydro-4H-chromene-2-carboxylate","","- C23 H34 O4 Si -","- C23 H34 O4 Si -","- C46 H68 O8 Si2 -","2","1","","Martel, A.; Leconte, S.; Dujardin, G.; Brown, E.; Maisonneuve, V.; Retoux, R.","Lewis Acid Catalysed [4+2] Heterocycloadditions between Ketone Enol Ethers and β-Ethylenic α-Oxo Esters","European Journal of Organic Chemistry","2002","2002","3","514","525","10.1002/1099-0690(20022)2002:3<514::AID-EJOC514>3.0.CO;2-Z","","","","","","","0.0822","","","0.0822","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1001000","11.827","0.009","16.538","0.014","12.622","0.012","90","0","90","0","90","0","2468.8","","","","","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","Calcium nitrate dihydrate - α","","- Ca H4 N2 O8 -","- Ca H8 N2 O8 -","- Ca16 H128 N32 O128 -","16","1","","Leclaire, A.; Mitschler, A.; Monier, J.-C.","Structure cristalline de l'hydrate Ca(NO~3~)~2~.2H~2~ O α","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1976","32","4","1496","1499","10.1107/S0567740876005633","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1001001","12.08","0.07","12.08","0.07","9.86","0.05","90","","90","","120","","1246.1","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Dirubidium germanium tecto-octaoxotetragermanate","","- Ge4 O9 Rb2 -","- Ge4 O9 Rb2 -","- Ge24 O54 Rb12 -","6","0.5","","Goreaud, M; Raveau, B","Structure cristalline de Rb~2~ Ge~4~ O~9~ et Rb~2~ Ti Ge~3~ O~9~ de type tetragermanate et etude structurale comparee de germanates en anneaux","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1536","1540","10.1107/S0567740876005724","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001002","12.19","0.05","12.19","0.05","10.14","0.08","90","","90","","120","","1304.9","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Dirubidium titanium cyclo-trigermanate","","- Ge3 O9 Rb2 Ti -","- Ge3 O9 Rb2 Ti -","- Ge18 O54 Rb12 Ti6 -","6","0.5","","Goreaud, M; Raveau, B","Structure cristalline de Rb~2~ Ge~4~ O~9~ et Rb~2~ Ti Ge~3~ O~9~ de type tetragermanate et etude structurale comparee de germanates en anneaux","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1536","1540","10.1107/S0567740876005724","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001003","13.226","0.002","13.226","0.002","32.37","0.02","90","","90","","120","","4903.8","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Calcium nitrate hydrate (1/2/1.2)","","- Ca H2.47 N2 O7.235 -","- Ca H2.88235 N2 O7.23294 -","- Ca34 H98 N68 O245.92 -","34","2.83333","","Leclaire, A","Structure cristalline d un nouvel hydrate du nitrate de calcium Ca (N O~3~)~2~ (H~2~ O)~1.235~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1950","1953","10.1107/S0567740876006845","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001004","19.64","0.002","9.449","0.003","7.389","0.003","90","","90","","90","","1371.2","","","","","","","","","","","","","4","P n 1 1","P -2xbc","7","","RUBIDIUM NIOBIUM BORATE","","- B2 Nb O6 Rb -","- B2 Nb O6 Rb -","- B20 Nb10 O60 Rb10 -","10","5","","Baucher, A; Gasperin, M; Cervelle, B","Rb Nb B~2~ O~6~: structure de la maille multiple et proprietes optiques","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2211","2215","10.1107/S0567740876007395","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001005","7.51","0.02","7.51","0.02","43.29","0.04","90","","90","","120","","2114.5","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Niobium thallium oxide hydrate (33/10.5/88.5/1.5)","","- H3 Nb33 O90 Tl10.5 -","- H54.75 Nb33 O90 Tl10.74 -","- H54.75 Nb33 O90 Tl10.74 -","1","0.0277778","","Gasperin, M","Synthese d'une nouvelle famille d'oxydes doubles: A~8~^+^ B~22~^5+^ O~59~ structure du compose a thallium et niobium","Acta Crystallographica B (24,1968-38,1982)","1977","33","","398","402","10.1107/S0567740877003744","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001006","8.775","0.005","8.775","0.005","3.897","0.001","90","","90","","120","","259.9","","","","","","","","","","","","","4","P 3 1 m","P 3 -2","157","","Diboron tripotassium tritantalum oxide","","- B2 K3 O12 Ta3 -","","","1","0.166667","","Choisnet, J; Groult, D; Raveau, B; Gasperin, M","Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1841","1845","10.1107/S056774087700716X","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1001007","8.753","0.005","8.753","0.005","3.966","0.001","90","","90","","120","","263.1","","","","","","","","","","","","","4","P 3 1 m","P 3 -2","157","","Tripotassium boro-niobate *","","- B2 K3 Nb3 O12 -","- B2 K3 Nb3 O12 -","- B2 K3 Nb3 O12 -","1","0.166667","","Choisnet, J; Groult, D; Raveau, B; Gasperin, M","Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1841","1845","10.1107/S056774087700716X","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001008","34.01","","34.01","","3.966","0.001","90","","90","","120","","3972.8","","","","","","","","","","","","","4","P 3 1 m","P 3 -2","157","","Tripotassium boro-niobate *","","- B2 K3 Nb3 O12 -","- B2 K3 Nb3 O12 -","- B32 K48 Nb48 O192 -","16","2.66667","","Choisnet, J; Groult, D; Raveau, B; Gasperin, M","Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1841","1845","10.1107/S056774087700716X","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001009","35.292","0.005","17.943","0.005","7.746","0.001","90","","90","","90","","4905.1","","","","","","","","","","","","","3","B b 21 m","B -2 -2b","36","","Lead diniobium oxide","","- Nb2 O6 Pb -","- Nb2 O6 Pb -","- Nb80 O240 Pb40 -","40","5","","Labbe, P; Frey, M; Raveau, B; Monier, J C","Structure cristalline de la phase ferroelectrique du niobate de plomb Pb Nb~2~ O~6~ . Deplacements des atomes metalliques et interpretation de la surstructure","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2201","2212","10.1107/S0567740877008012","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001010","7.551","0.004","13.005","0.006","7.734","0.004","90","","90","","90","","759.5","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","NIOBIUM THALLIUM OXIDE (3.1/1/8.2)","","- Nb3.09 O8.22 Tl -","- Nb3.09 O8.222 Tl -","- Nb12.36 O32.888 Tl4 -","4","0.5","","Gasperin, M","Un niobate de thallium de type 'bronze hexagonal' excedentaire en cations","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2306","2308","10.1107/S0567740877008309","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001011","8.164","0.005","8.164","0.005","4.016","0.005","90","","90","","120","","231.8","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","CALCIUM BROMIDE HEXAHYDRATE","","- Br2 Ca H12 O6 -","- Br2 Ca H12 O6 -","- Br2 Ca H12 O6 -","1","0.166667","","Leclaire, A; Borel, M M","Le dichlorure et le dibromure de calcium hexahydrates","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2938","2940","10.1107/S0567740877009881","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001012","","","","","","","","","","","","","","","","","","","","","","","","","","4","","","","","calcium nitrate dihydrate","","- Ca H4 N2 O8 -","","","","","","Leclaire, A.; Monier, J.-C.","Transformation orientee de l'hydrate (H~2~O)~2~ β en hydrate (H~2~O)~2~ α du nitrate de calcium. Interpretation structurale des formes cristallines des deux hydrates","Acta Crystallographica, Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography","1977","33","5","717","722","10.1107/S0567739477001843","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1001013","7.529","0.004","7.529","0.004","8.194","0.008","90","","90","","120","","402.3","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Niobium rubidium titanium oxide (6/2/1/18)","","- Nb6 O18 Rb2 Ti -","- Nb5.999 O18 Rb2 Ti1.001 -","- Nb5.999 O18 Rb2 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001014","7.512","0.004","7.512","0.004","8.231","0.008","90","","90","","120","","402.2","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Rubidium tantalum titanium oxide (2/6/1/18)","","- O18 Rb2 Ta6 Ti -","- O18 Rb2 Ta5.999 Ti1.001 -","- O18 Rb2 Ta5.999 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001015","7.533","0.004","7.533","0.004","8.189","0.008","90","","90","","120","","402.4","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Caesium niobium titanium oxide (2/6/1/18)","","- Cs2 Nb6 O18 Ti -","- Cs2 Nb5.999 O18 Ti1.001 -","- Cs2 Nb5.999 O18 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001016","7.513","0.004","7.513","0.004","8.227","0.008","90","","90","","120","","402.2","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Caesium tantalum titanium oxide (2/6/1/18)","","- Cs2 O18 Ta6 Ti -","- Cs2 O18 Ta5.999 Ti1.001 -","- Cs2 O18 Ta5.999 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001017","7.486","0.002","7.486","0.002","43.1","0.01","90","","90","","120","","2091.7","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Rubidium niobium tungsten oxide (12/30/3/90)","","- Nb30 O90 Rb12 W3 -","- Nb29.997 O90 Rb12 W3.003 -","- Nb29.997 O90 Rb12 W3.003 -","1","0.0277778","","Michel, C; Guyomarch, A; Raveau, B","Nouveaux echangeurs cationiques avec une structure a tunnels entrecroises: les oxides A~12~ M~33~ O~90~ et A~12~ M~33~ O~90~ (H~2~ O)~12~","Journal of Solid State Chemistry","1977","22","","393","403","10.1016/0022-4596(77)90016-0","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001018","8.923","0.005","10.221","0.004","12.787","0.006","90","","114.68","0.04","90","","1059.7","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Calcium chloride tetrahydrate - β","","- Ca Cl2 H8 O4 -","- Ca Cl2 H8 O4 -","- Ca6 Cl12 H48 O24 -","6","1.5","","Leclaire, A.; Borel, M. M.","La forme β du dichlorure de calcium tétrahydraté","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1978","34","3","900","902","10.1107/S0567740878004288","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1001019","9.052","0.004","6.676","0.005","19.797","0.006","90","","90","","90","","1196.4","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Calcium chloride nitrate dihydrate","","- Ca Cl H4 N O5 -","- Ca Cl H4 N O5 -","- Ca8 Cl8 H32 N8 O40 -","8","1","","Leclaire, A; Borel, M M","Identification et structure du chlorure nitrate de calcium dihydrate","Acta Crystallographica B (24,1968-38,1982)","1978","34","","902","904","10.1107/S056774087800429X","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001020","7.3875","0.0011","7.3875","0.0011","7.5589","0.0012","90","","90","","120","","357.3","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Rubidium tungsten oxide (.3/1/3)","","- O3 Rb0.28 W -","- O3 Rb0.283333 W -","- O18 Rb1.7 W6 -","6","0.25","","Labbe, P H; Goreaud, M; Raveau, B; Monier, J C","Etude comparative des structures M~x~ WO~3~ de type bronze hexagonal. I. Analyse structurale des bronzes de composition M~0.30~ W O~3~ . Stereochimie des elements M=Rb, Tl et In","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1433","1438","10.1107/S0567740878005841","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001021","7.381","0.0018","7.381","0.0018","7.5091","0.0011","90","","90","","120","","354.3","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Thallium tungsten oxide (0.3/1/3)","","- O3 Tl0.3 W -","- O3 Tl0.3 W -","- O18 Tl1.8 W6 -","6","0.25","","Labbe, P H; Goreaud, M; Raveau, B; Monier, J C","Etude comparative des structures M~x~ WO~3~ de type bronze hexagonal. I. Analyse structurale des bronzes de composition M~0.30~ W O~3~ . Stereochimie des elements M=Rb, Tl et In","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1433","1438","10.1107/S0567740878005841","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001022","7.8","0.003","13.011","0.004","5.546","0.002","90","","90","","98.6","0.02","556.5","","","","","","","","","","","","","3","P 1 1 21","P 2c","4","","DILANTHANUM DITITANIUM OXIDE","","- La2 O7 Ti2 -","- La2 O7 Ti2 -","- La8 O28 Ti8 -","4","2","","Gasperin, M","Dititanate de lanthane","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2129","2130","10.1107/S0567740875007005","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001023","7.79","0.01","6.88","0.01","12.22","0.01","90","","90","0.3","90","","654.9","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Calcium nitrate dihydrate - β","","- Ca H4 N2 O8 -","- Ca H4 N2 O8 -","- Ca4 H16 N8 O32 -","4","0.5","","Leclaire, A.","Identification d'un nouvel hydrate du nitrate de calcium Ca(NO~3~)~2~.2H~2~O β","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1974","30","3","605","607","10.1107/S0567740874003384","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1001024","7.82","0.02","9.46","0.02","7.4","0.02","90","","90","","90","","547.4","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Thallium niobium borate *","","- B2 Nb O6 Tl -","- B2 Nb O6 Tl -","- B8 Nb4 O24 Tl4 -","4","1","","Gasperin, M","Synthese et structure d'un oxyde multiple d'un type nouveau: Tl Nb B~2~ O~6~","Acta Crystallographica B (24,1968-38,1982)","1974","30","","1181","1183","10.1107/S0567740874004523","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001025","7.89","0.02","7.89","0.02","26.52","0.02","90","","90","","120","","1429.7","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Sodium tetrachlorocadmate trihydrate","","- Cd Cl4 H6 Na2 O3 -","- Cd0.9995 Cl4 H0.5 Na1.999 O3 -","- Cd5.997 Cl24 H3 Na11.994 O18 -","6","0.166667","","Boistelle, R; Pepe, G; Simon, B; Leclaire, A","Structure cristalline du sel mixte Cd Cl~2~ (Na Cl)~2~ (H~2~ O)~3~","Acta Crystallographica B (24,1968-38,1982)","1974","30","","2200","2203","10.1107/S056774087400673X","","","","","","0.148","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001026","7.505","","7.505","","36.37","","90","","90","","120","","1774.1","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Rubidium tantalum oxide (10/29.2/78)","","- O78 Rb10 Ta29.2 -","- O78 Rb9.9996 Ta29.2 -","- O78 Rb9.9996 Ta29.2 -","1","0.0416667","","Michel, C; Guyomarch, A; Raveau, B","Nouveaux echangeurs cationiques avec une structure a tunnels entrecroises: les niobates et tantalates A~10~ M~29.2~ O~78~ et A~10~ M~29.2~ O~78~ (H~2~ O)~10~","Journal of Solid State Chemistry","1978","25","","251","261","10.1016/0022-4596(78)90110-X","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001027","9.153","0.004","9.153","0.004","12.066","0.008","90","","90","","120","","875.4","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Potassium niobium oxide (3/8/21)","","- K3 Nb8 O21 -","- K3 Nb8 O21 -","- K6 Nb16 O42 -","2","0.0833333","","Groult, D; Chailleux, J M; Choisnet, J; Raveau, B","Sur une nouvelle famille d'oxydes ternaires de niobium, A~3~ M~8~ O~21~ a structure en cages","Journal of Solid State Chemistry","1976","19","","235","244","10.1016/0022-4596(76)90173-0","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001028","9.107","0.004","9.107","0.004","12.011","0.008","90","","90","","120","","862.7","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","Tripotassium heptaniobium titanium oxide","","- K3 Nb7 O21 Ti -","- K3 Nb7 O21 Ti -","- K6 Nb14 O42 Ti2 -","2","0.0833333","","Groult, D; Chailleux, J M; Choisnet, J; Raveau, B","Sur une nouvelle famille d'oxydes ternaires de niobium, A~3~ M~8~ O~21~ a structure en cages","Journal of Solid State Chemistry","1976","19","","235","244","10.1016/0022-4596(76)90173-0","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001029","9.04","0.004","9.04","0.004","11.767","0.008","90","","90","","120","","832.8","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","Tribarium tetraniobium tetratitanium oxide","","- Ba3 Nb4 O21 Ti4 -","- Ba3 Nb4 O21 Ti4 -","- Ba6 Nb8 O42 Ti8 -","2","0.0833333","","Groult, D; Chailleux, J M; Choisnet, J; Raveau, B","Sur une nouvelle famille d'oxydes ternaires de niobium, A~3~ M~8~ O~21~ a structure en cages","Journal of Solid State Chemistry","1976","19","","235","244","10.1016/0022-4596(76)90173-0","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001030","10.442","0.006","10.442","0.005","10.442","0.005","90","","90","","90","","1138.5","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Disodium ditantalum oxide","","- Na2 O6 Ta2 -","- Na2 O5.998 Ta2 -","- Na16 O47.984 Ta16 -","8","0.0416667","","Michel, C; Groult, D; Chailleux, J M; Raveau, B","Sur de nouveaux pyrochlores lacunaires riches en sodium Na~1+a~ Ta~1+a~ W~1-a~ O~6~ synthetises par echange carionique en phase solide","Revue de Chimie Minerale","1976","13","","283","289","","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001031","5.351","","9.262","","15.03","","90","","96.83","","90","","739.6","","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","Aluminium calcium iron iron(III) magnesium titanium silicate hydroxide hydrate *","","- Al3.36 Ca0.86 Fe0.41 H16.74 Mg4.04 O30.42 Si5.53 Ti0.08 -","- Al3.36 Ca0.86 Fe0.414 H4.16 Mg4.044 O30.32 Si5.528 Ti0.084 -","- Al3.36 Ca0.86 Fe0.414 H4.16 Mg4.044 O30.32 Si5.528 Ti0.084 -","1","0.125","","de la Calle, C; Pezerat, H; Gasperin, M","Problemes d'ordre-desordre dans les vermiculites structure du mineral calcique hydrate a 2 couches","Journal de Physique (Paris), Colloque.","1977","38","","128","133","","","","","","","0.168","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001032","17.65","0.02","17.92","0.02","3.87","0.005","90","","90","","90","","1224","","","","","","","","","","","","","3","C m 2 m","C -2 -2","38","","Lead diniobium oxide","","- Nb2 O6 Pb -","- Nb2 O6 Pb -","- Nb20 O60 Pb10 -","10","1.25","","Labbe, P; Frey, M; Allais, G","Nouvelles donnes structurales sur la variete ferroelectrique du metaniobate de plomb Pb Nb~2~ O~6~","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2204","2210","10.1107/S0567740873006345","","","","","","0.111","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001033","10.397","0.003","10.397","0.003","10.397","0.003","90","","90","","90","","1123.9","","","","","","","","","","","","","5","F d -3 m :1","F 4d 2 3 -1d","227","","LITHIUM NIOBIUM TUNGSTEN OXIDE HYDRATE","","- H2 Li Nb O7 W -","- H2.0833 Li Nb O7 W -","- H16.6664 Li8 Nb8 O56 W8 -","8","0.0416667","","Michel, C; Groult, D; Raveau, B","Proprietes d'echange d'ions des pyrochlores A B~2~ O~6~ - I","Journal of Inorganic and Nuclear Chemistry","1975","37","","247","250","10.1016/0022-1902(75)80158-8","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001034","10.421","","10.421","","10.421","","90","","90","","90","","1131.7","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","BISMUTH CADMIUM TANTALUM OXIDE (0.4/1.7/1.9/7)","","- Bi0.4 Cd1.733 O7 Ta1.867 -","- Bi0.4 Cd1.7334 O7 Ta1.8666 -","- Bi3.2 Cd13.8672 O56 Ta14.9328 -","8","0.0416667","","Jeanne, G; Desgardin, G; Raveau, B","Synthese et evolution structurale de nouveaux pyrochlores au bismuth","Materials Research Bulletin","1974","9","","1321","1332","10.1016/0025-5408(74)90054-3","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001035","10.355","","10.355","","10.355","","90","","90","","90","","1110.3","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","NIOBIUM TUNGSTEN OXIDE HYDRATE (1/1/5.5/0.6)","","- H1.1 Nb O6.05 W -","- H2.2 Nb O6.07 W -","- H17.6 Nb8 O48.56 W8 -","8","0.0416667","","Groult, D; Michel, C; Raveau, B","Sur l'evolution thermique des pyrochlores d'hydroxonium et d'ammonium H~3~ O M W O~6~, H~4~ O M~2~ O~6~ et N H~4~ M W O~6~ (M=Nb, Ta)","Journal of Inorganic and Nuclear Chemistry","1974","36","","61","66","10.1016/0022-1902(74)80658-5","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001036","4.649","","7.739","","13.596","","90","","90","","90","","489.2","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Barium silicon germanium oxide (1/1.5/0.5/5)","","- Ba Ge0.5 O5 Si1.5 -","- Ba Ge0.5 O5 Si1.5 -","- Ba4 Ge2 O20 Si6 -","4","0.5","","Goreaud, M; Choisnet, J; Raveau, B; Deschanvres, A","Sur les silicogermanates Ba(Si~2-x~ Ge~x~) O~5~ isotypes de la sanbornite","Revue de Chimie Minerale","1974","11","","207","216","","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001037","27.5","0.02","27.5","0.02","3.94","0.01","90","","90","","90","","2979.6","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Thallium niobium oxide (1/7/18.3)","","- Nb7 O18.25 Tl0.96 -","- Nb7 O18.25 Tl0.96 -","- Nb56 O146 Tl7.68 -","8","0.5","","Bhide, V; Gasperin, M","A new GTB-type thallium niobate","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1318","1321","10.1107/S056774087900635X","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001038","6.112","0.002","6.112","0.002","7.24","0.002","90","","90","","120","","234.2","","","","","","","","","","","","","3","P 3","P 3","143","","Disodium uranium fluoride - $-delta","","- F6 Na2 U -","- F6 Na2 U -","- F12 Na4 U2 -","2","0.666667","","Cousson, A; Tabuteau, A; Pages, M; Gasperin, M","Disodium uranium(IV) fluoride","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1198","1200","10.1107/S0567740879005872","","","","","","0.098","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001039","7.3762","0.001","7.3762","0.001","7.4983","0.0017","90","","90","","120","","353.3","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Indium tungsten oxide (0.2/1/3)","","- In0.17 O3 W -","- In0.170667 O3 W -","- In1.024 O18 W6 -","6","0.25","","Labbe, P H; Goreaud, M; Raveau, B; Monier, J C","Etude comparative des structures M~x~ W O~3~ de type bronze hexagonal. II. Evolution structurale dans la serie des bronzes In~x~ W O~3~ (x equals a number between 0.12 and 0.33)","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1557","1564","10.1107/S0567740879007123","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001040","7.3824","0.0011","7.3824","0.0011","7.5082","0.001","90","","90","","120","","354.4","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Indium tungsten oxide (0.2/1/3)","","- In0.15 O3 W -","- In0.146667 O3 W -","- In0.88 O18 W6 -","6","0.25","","Labbe, P H; Goreaud, M; Raveau, B; Monier, J C","Etude comparative des structures M~x~ W O~3~ de type bronze hexagonal. II. Evolution structurale dans la serie des bronzes In~x~ W O~3~ (x equals a number between 0.12 and 0.33)","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1557","1564","10.1107/S0567740879007123","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001041","7.3888","0.0011","7.3888","0.0011","7.5007","0.0006","90","","90","","120","","354.6","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Indium tungsten oxide (0.2/1/3)","","- In0.18 O3 W -","- In0.199333 O3 W -","- In1.196 O18 W6 -","6","0.25","","Labbe, P H; Goreaud, M; Raveau, B; Monier, J C","Etude comparative des structures M~x~ W O~3~ de type bronze hexagonal. II. Evolution structurale dans la serie des bronzes In~x~ W O~3~ (x equals a number between 0.12 and 0.33)","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1557","1564","10.1107/S0567740879007123","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001042","7.3883","0.0012","7.3883","0.0012","7.5065","0.0011","90","","90","","120","","354.9","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Indium tungsten oxide (0.2/1/3)","","- In0.21 O3 W -","- In0.216 O3 W -","- In1.296 O18 W6 -","6","0.25","","Labbe, P H; Goreaud, M; Raveau, B; Monier, J C","Etude comparative des structures M~x~ W O~3~ de type bronze hexagonal. II. Evolution structurale dans la serie des bronzes In~x~ W O~3~ (x equals a number between 0.12 and 0.33)","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1557","1564","10.1107/S0567740879007123","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001043","7.3837","0.0011","7.3837","0.0011","7.5012","0.0007","90","","90","","120","","354.2","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Indium tungsten oxide (0.2/1/3)","","- In0.24 O3 W -","- In0.248 O3 W -","- In1.488 O18 W6 -","6","0.25","","Labbe, P H; Goreaud, M; Raveau, B; Monier, J C","Etude comparative des structures M~x~ W O~3~ de type bronze hexagonal. II. Evolution structurale dans la serie des bronzes In~x~ W O~3~ (x equals a number between 0.12 and 0.33)","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1557","1564","10.1107/S0567740879007123","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001044","7.3673","0.003","7.3673","0.003","7.502","0.0012","90","","90","","120","","352.6","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Indium tungsten oxide (0.3/1/3)","","- In0.28 O3 W -","- In0.281333 O3 W -","- In1.688 O18 W6 -","6","0.25","","Labbe, P H; Goreaud, M; Raveau, B; Monier, J C","Etude comparative des structures M~x~ W O~3~ de type bronze hexagonal. II. Evolution structurale dans la serie des bronzes In~x~ W O~3~ (x equals a number between 0.12 and 0.33)","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1557","1564","10.1107/S0567740879007123","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001045","7.375","0.0013","7.375","0.0013","7.5009","0.0006","90","","90","","120","","353.3","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Indium tungsten oxide (0.3/1/3)","","- In0.3 O3 W -","- In0.304667 O3 W -","- In1.828 O18 W6 -","6","0.25","","Labbé, P.; Goreaud, M.; Raveau, B.; Monier, J. C.","Etude comparative des structures M~x~ W O~3~ de type bronze hexagonal. II. Evolution structurale dans la serie des bronzes In~x~ W O~3~ (x equals a number between 0.12 and 0.33)","Acta Crystallographica B (24,1968-38,1982)","1979","35","7","1557","1564","10.1107/S0567740879007123","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1001046","7.3716","0.0011","7.3716","0.0011","7.5038","0.0007","90","","90","","120","","353.1","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Indium tungsten oxide (0.3/1/3)","","- In0.31 O3 W -","- In0.312 O3 W -","- In1.872 O18 W6 -","6","0.25","","Labbe, P H; Goreaud, M; Raveau, B; Monier, J C","Etude comparative des structures M~x~ W O~3~ de tyoe bronze hexagonal. II. Evolution structurale dans la serie des bronzes In~x~ W O~3~ (x equals a number between 0.12 and 0.33)","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1557","1564","10.1107/S0567740879007123","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001047","10.116","0.002","10.116","0.002","13.255","0.002","90","","90","","120","","1174.7","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Trisodium zinc hexathorium fluoride","","- F29 Na3 Th6 Zn -","- F28.98 Na3 Th6 Zn -","- F57.96 Na6 Th12 Zn2 -","2","0.333333","","Cousson, A; Tabuteau, A; Pages, M; Gasperin, M","Fluorure complexe de thorium, sodium et zinc","Acta Crystallographica B (24,1968-38,1982)","1979","35","","2674","2676","10.1107/S056774087901013X","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001048","10.453","0.002","10.453","0.002","10.453","0.002","90","","90","","90","","1142.1","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Cadmium lead(IV) oxide - I","","- Cd O3 Pb -","- Cd O3 Pb -","- Cd16 O48 Pb16 -","16","0.333333","","Levy-Clement, C; Michel, A","Sur un oxyde double Cd Pb O~3~ de type c des oxydes de lanthanides","Annales de Chimie (Paris) (Vol=Year)","1972","1972","","275","281","","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001049","8.461","","8.461","","8.461","","90","","90","","90","","605.7","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Iron tin oxide (2.8/0.2/4)","","- Fe2.8 O4 Sn0.2 -","- Fe2.8 O4 Sn0.2 -","- Fe22.4 O32 Sn1.6 -","8","0.0416667","","Djega-Mariadassou, C; Basile, F; Poix, P; Michel, A","Preparation et proprietes cristallographiques des phases Fe~3-x~ Sn~x~ O4","Annales de Chimie (Paris) (Vol=Year)","1973","1973","","15","20","","","","","","","0.0477","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001050","8.529","","8.529","","8.529","","90","","90","","90","","620.4","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Iron tin oxide (2.6/0.4/4)","","- Fe2.6 O4 Sn0.4 -","- Fe2.6 O4 Sn0.4 -","- Fe20.8 O32 Sn3.2 -","8","0.0416667","","Djega-Mariadassou, C; Basile, F; Poix, P; Michel, A","Preparation et proprietes cristallographioues des phases Fe~3-x~ Sn~x~ O4","Annales de Chimie (Paris) (Vol=Year)","1973","1973","","15","20","","","","","","","0.0622","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001051","8.595","","8.595","","8.595","","90","","90","","90","","634.9","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Iron tin oxide (2.5/0.5/4)","","- Fe2.5 O4 Sn0.5 -","- Fe2.5 O4 Sn0.5 -","- Fe20 O32 Sn4 -","8","0.0416667","","Djega-Mariadassou, C; Basile, F; Poix, P; Michel, A","Preparation et proprietes cristallographiques des phases Fe~3-x~ Sn~x~ O4","Annales de Chimie (Paris) (Vol=Year)","1973","1973","","15","20","","","","","","","0.0712","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001052","10.52","","10.52","","10.52","","90","","90","","90","","1164.3","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Lead niobium titanium oxide (2/1.4/0.7/6.7)","","- Nb1.34 O6.67 Pb2 Ti0.66 -","- Nb1.34 O6.67 Pb2 Ti0.66 -","- Nb10.72 O53.36 Pb16 Ti5.28 -","8","0.0416667","","Bachelier, J; Hervieu, M; Quemeneur, E","Contribution a l'etude du compose Pb~2-x~ M~2~ O7~-y~ (M = Nb, Ti) de type pyrochlore","Bulletin de la Societe Chimique de France (Vol=Year)","1973","1973","","2593","2595","","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001053","4.74","","4.75","","9.305","","90","","90.95","","90","","209.5","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ditantalum chromium(II) oxide","","- Cr O6 Ta2 -","- Cr O6 Ta2 -","- Cr2 O12 Ta4 -","2","0.5","","Massard, P; Bernier, J C; Michel, A","Effet Jahn-Teller dans le Systeme Ta~2~ Cr O~6~ - Ta Cr O~4~","Journal of Solid State Chemistry","1972","4","","269","274","10.1016/0022-4596(72)90116-8","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001054","4.077","0.003","4.077","0.003","4.077","0.003","90","","90","","90","","67.8","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Dibarium tantalum cobalt(III) oxide","","- Ba Co0.5 O3 Ta0.5 -","- Ba Co0.5 O3 Ta0.5 -","- Ba Co0.5 O3 Ta0.5 -","1","0.0208333","","Padel, L; Poix, P; Bernier, J C; Michel, A","Structure et proprietes magnetique de la perovskite Ba~2~ Ta Co O~6~","Materials Research Bulletin","1972","7","","443","448","10.1016/0025-5408(72)90146-8","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001055","3.869","","7.737","","3.858","","90","","90","","90","","115.5","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Gadolinium tantalum tungsten oxide (0.3/0.9/0.1/3)","","- Gd0.29 O3 Ta0.87 W0.13 -","- Gd0.29 O2.5 Ta0.87 W0.13 -","- Gd0.58 O5 Ta1.74 W0.26 -","2","0.25","","Desgardin, G; Raveau, B","Sur de nouvelles phases non stoechiometriques de type Perovskite Gd~x~ (Ta~3x~ W~1-3x~) O~3~","Journal of Inorganic and Nuclear Chemistry","1972","34","","509","516","10.1016/0022-1902(72)80429-9","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001056","5.326","","5.383","","3.786","","90","","90","","90","","108.5","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Gadolinium tantalum tungsten oxide (0.1/0.2/0.8/3)","","- Gd0.07 O3 Ta0.21 W0.79 -","- Gd0.07 O3 Ta0.21 W0.79 -","- Gd0.14 O6 Ta0.42 W1.58 -","2","0.125","","Desgardin, G; Raveau, B","Sur de nouvelles phases non stoechiometriques de type Perovskite Gd~x~ (Ta~3x~ W~1-3x~) O~3~","Journal of Inorganic and Nuclear Chemistry","1972","34","","509","516","10.1016/0022-1902(72)80429-9","","","","","","0.087","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001057","10.5","","10.5","","10.5","","90","","90","","90","","1157.6","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium tantalum tungsten oxide (1.8/1.8/0.3/6)","","- O6 Ta1.75 Tl1.75 W0.25 -","- O6 Ta1.75 Tl1.7501 W0.25 -","- O48 Ta14 Tl14.0008 W2 -","8","0.0416667","","Michel, C; Raveau, B","Etude de la distribution des Ions thallium dans les pyrochlores non stoechiometriques Tl~1+x~ (Ta~1+x~ W~1-x~) O~6~","Materials Research Bulletin","1973","8","","451","458","10.1016/0025-5408(73)90049-4","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001058","10.234","0.003","10.234","0.003","10.234","0.003","90","","90","","90","","1071.9","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Potassium antimony(V) tungsten oxide","","- K O6 Sb W -","- K O6 Sb W -","- K8 O48 Sb8 W8 -","8","0.0416667","","Michel, C; Groult, D; Raveau, B","Sur de nouveaux pyrochlores A Sb W O~6~ (A = K, Rb, Cs, Tl)","Materials Research Bulletin","1973","8","","201","210","10.1016/0025-5408(73)90173-6","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001059","10.245","0.003","10.245","0.003","10.245","0.003","90","","90","","90","","1075.3","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rubidium antimony(V) tungsten oxide","","- O6 Rb Sb W -","- O6 Rb Sb W -","- O48 Rb8 Sb8 W8 -","8","0.0416667","","Michel, C; Groult, D; Raveau, B","Sur de nouveaux pyrochlores A Sb W O~6~ (A = K, Rb, Cs, Tl)","Materials Research Bulletin","1973","8","","201","210","10.1016/0025-5408(73)90173-6","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001060","10.279","0.003","10.279","0.003","10.279","0.003","90","","90","","90","","1086.1","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Caesium antimony(V) tungsten oxide","","- Cs O6 Sb W -","- Cs O6 Sb W -","- Cs8 O48 Sb8 W8 -","8","0.0416667","","Michel, C; Groult, D; Raveau, B","Sur de nouveaux pyrochlores A Sb W O~6~ (A = K, Rb, Cs, Tl)","Materials Research Bulletin","1973","8","","201","210","10.1016/0025-5408(73)90173-6","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001061","10.244","0.003","10.244","0.003","10.244","0.003","90","","90","","90","","1075","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium antimony(V) tungsten oxide","","- O6 Sb Tl W -","- O6 Sb Tl W -","- O48 Sb8 Tl8 W8 -","8","0.0416667","","Michel, C; Groult, D; Raveau, B","Sur de nouveaux pyrochlores A Sb W O~6~ (A = K, Rb, Cs, Tl)","Materials Research Bulletin","1973","8","","201","210","10.1016/0025-5408(73)90173-6","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001062","10.278","0.003","10.278","0.003","10.278","0.003","90","","90","","90","","1085.7","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Oxonium antimony(V) tungsten oxide","","- H3 O7 Sb W -","- H3 O7 Sb W -","- H24 O56 Sb8 W8 -","8","0.0416667","","Groult, D; Michel, C; Raveau, B","Sur de Nouveaux Pyrochlores A Sb W O~6~ (A = (H~3~ O), (N H~4~) et Ag Sb W O~6~ (H~2~ O)","Journal of Inorganic and Nuclear Chemistry","1973","35","","3095","3101","10.1016/0022-1902(73)80007-7","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001063","10.252","0.003","10.252","0.003","10.252","0.003","90","","90","","90","","1077.5","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Ammonium antimony(V) tungsten oxide","","- H4 N O6 Sb W -","- H4 N O6 Sb W -","- H32 N8 O48 Sb8 W8 -","8","0.0416667","","Groult, D; Michel, C; Raveau, B","Sur de Nouveaux Pyrochlores A Sb W O~6~ (A = (H~3~ O), (N H~4~) et Ag Sb W O~6~ (H~2~ O)","Journal of Inorganic and Nuclear Chemistry","1973","35","","3095","3101","10.1016/0022-1902(73)80007-7","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001064","10.303","0.003","10.303","0.003","10.303","0.003","90","","90","","90","","1093.7","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Silver antimony(V) tungsten oxide hydrate","","- Ag H2 O7 Sb W -","- Ag H2 O7 Sb W -","- Ag8 H16 O56 Sb8 W8 -","8","0.0416667","","Groult, D; Michel, C; Raveau, B","Sur de Nouveaux Pyrochlores A Sb W O~6~ (A = (H~3~ O), (N H~4~) et Ag Sb W O~6~ (H~2~ O)","Journal of Inorganic and Nuclear Chemistry","1973","35","","3095","3101","10.1016/0022-1902(73)80007-7","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001065","6.667","","6.667","","9.703","0.005","90","","90","","120","","373.5","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Barium silicate germanate *","","- Ba Ge2.5 O9 Si1.5 -","- Ba Ge2.5 O9 Si1.5 -","- Ba2 Ge5 O18 Si3 -","2","0.166667","","Goreaud, M; Choisnet, J; Deschanvres, A; Raveau, B","Synthese et Evolution Structurale de Nouveaux Silicogermanates Ba Ge (Ge~3-x~ Si~x~) O~9~ de Type Benitoite et de Structure Apparentee","Materials Research Bulletin","1973","8","","1205","1214","10.1016/0025-5408(73)90158-X","","","","","","0.113","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001066","11.595","0.005","11.595","0.005","9.755","0.005","90","","90","","120","","1135.8","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Barium silicate germanate *","","- Ba Ge3.125 O9 Si0.875 -","- Ba Ge3.1249 O9 Si0.8751 -","- Ba6 Ge18.7494 O54 Si5.2506 -","6","1","","Goreaud, M; Choisnet, J; Deschanvres, A; Raveau, B","Synthese et Evolution Structurale de Nouveaux Silicogermanates Ba Ge (Ge~3-x~ Si~x~) O~9~ de Type Benitoite et de Structure Apparentee","Materials Research Bulletin","1973","8","","1205","1214","10.1016/0025-5408(73)90158-X","","","","","","0.119","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001067","9.84","","5.583","","14.176","","90","","90.783","","90","","778.7","","","","","","","","","","","","","4","","","","","CALCIUM STRONTIUM NIOBIUM OXIDE (1.1/0.3/0.7/3)","","- Ca1.0833 Nb0.6667 O3 Sr0.25 -","","","12","","","Hervieu, M; Raveau, B","Les Perovskites (Ca~1-x~ Sr~x~) (Ca~.3333~ Nb~.6667~) O~3~","Journal of Solid State Chemistry","1979","28","","209","222","10.1016/0022-4596(79)90073-2","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1001068","9.99","","5.73","","14.16","","90","","90","","90","","810.6","","","","","","","","","","","","","4","","","","","CALCIUM STRONTIUM NIOBIUM OXIDE (0.6/0.8/0.7/3)","","- Ca0.5833 Nb0.6667 O3 Sr0.75 -","","","12","","","Hervieu, M; Raveau, B","Les Perovskites (Ca~1-x~ Sr~x~) (Ca~.3333~ Nb~.6667~) O~3~","Journal of Solid State Chemistry","1979","28","","209","222","10.1016/0022-4596(79)90073-2","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1001069","11.54","","16.04","","11.18","","90","","90","","90","","2069.4","","","","","","","","","","","","","4","","","","","CALCIUM STRONTIUM NIOBIUM OXIDE (1.2/0.1/0.7/3)","","- Ca1.2333 Nb0.6667 O3 Sr0.1 -","","","32","","","Hervieu, M; Raveau, B","Les Perovskites (Ca~1-x~ Sr~x~) (Ca~.3333~ Nb~.6667~) O~3~","Journal of Solid State Chemistry","1979","28","","209","222","10.1016/0022-4596(79)90073-2","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1001070","5.778","","8.052","","5.63","","90","","90","","90","","261.9","","","","","","","","","","","","","4","","","","","Calcium strontium niobium oxide (1.1/0.3/0.7/3)","","- Ca1.0833 Nb0.6667 O3 Sr0.25 -","","","4","","","Hervieu, M; Raveau, B","Les Perovskites (Ca~1-x~ Sr~x~) (Ca~.3333~ Nb~.6667~) O~3~","Journal of Solid State Chemistry","1979","28","","209","222","10.1016/0022-4596(79)90073-2","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1001071","8.14","","8.14","","8.147","","90","","90","","90","","539.8","","","","","","","","","","","","","4","","","","","CALCIUM STRONTIUM NIOBIUM OXIDE (0.6/0.8/0.7/3)","","- Ca0.5833 Nb0.6667 O3 Sr0.75 -","","","8","","","Hervieu, M; Raveau, B","Les Perovskites (Ca~1-x~ Sr~x~) (Ca~.3333~ Nb~.6667~) O~3~","Journal of Solid State Chemistry","1979","28","","209","222","10.1016/0022-4596(79)90073-2","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1001072","8.19","","8.19","","8.209","","90","","90","","90","","550.6","","","","","","","","","","","","","4","P -4","P -4","81","","STRONTIUM CALCIUM NIOBIUM OXIDE (1/0.3/0.7/3)","","- Ca0.3333 Nb0.6667 O3 Sr -","- Ca0.33335 Nb0.66665 O3 Sr -","- Ca2.6668 Nb5.3332 O24 Sr8 -","8","2","","Hervieu, M; Raveau, B","Les Perovskites (Ca~1-x~ Sr~x~) (Ca~.3333~ Nb~.6667~) O~3~","Journal of Solid State Chemistry","1979","28","","209","222","10.1016/0022-4596(79)90073-2","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001073","10.99","0.01","10.99","0.01","10.99","0.01","90","","90","","90","","1327.4","","","","","","","","","","","","","3","P n -3 n :2","-P 4a 2bc 3","222","","Pentaneodymium 16-oxotrimolybdate","","- Mo3 Nd5 O16 -","- Mo3 Nd5 O16 -","- Mo12 Nd20 O64 -","4","0.0833333","","Hubert, P H; Michel, P; Thozet, A","Structure du molybdite de neodyme Nd~5~ Mo~3~ O~16~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1973","276","","1779","1781","","","","","","","0.15","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001074","6.972","0.005","6.972","0.005","10.144","0.005","90","","90","","120","","427","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Potassium tantalum cyclo-trigermanate","","- Ge3 K O9 Ta -","- Ge3 K O9 Ta -","- Ge6 K2 O18 Ta2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Sur de nouveaux germanates et silicates de type benitoite","Journal of Solid State Chemistry","1972","4","","209","218","10.1016/0022-4596(72)90107-7","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001075","7.041","0.005","7.041","0.005","10.116","0.005","90","","90","","120","","434.3","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Rubidium tantalum cyclo-trigermanate","","- Ge3 O9 Rb Ta -","- Ge3 O9 Rb Ta -","- Ge6 O18 Rb2 Ta2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Sur de nouveaux qermanates et silicates de type benitoite","Journal of Solid State Chemistry","1972","4","","209","218","10.1016/0022-4596(72)90107-7","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001076","7.038","0.005","7.038","0.005","10.132","0.005","90","","90","","120","","434.6","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Rubidium niobium cyclo-trigermanate","","- Ge3 Nb O9 Rb -","- Ge3 Nb O9 Rb -","- Ge6 Nb2 O18 Rb2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Sur de nouveaux germanates et silicates de type benitoite","Journal of Solid State Chemistry","1972","4","","209","218","10.1016/0022-4596(72)90107-7","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001077","7.036","0.005","7.036","0.005","10.124","0.005","90","","90","","120","","434","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Thallium tantalum cyclo-trigermanate","","- Ge3 O9 Ta Tl -","- Ge3 O9 Ta Tl -","- Ge6 O18 Ta2 Tl2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Sur de nouveaux germanates et silicates de type benitoite","Journal of Solid State Chemistry","1972","4","","209","218","10.1016/0022-4596(72)90107-7","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001078","6.894","0.005","6.894","0.005","10.233","0.005","90","","90","","120","","421.2","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Barium tin(IV) cyclo-trigermanate","","- Ba Ge3 O9 Sn -","- Ba Ge3 O9 Sn -","- Ba2 Ge6 O18 Sn2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Sur de nouveaux germanates et silicates de type benitoite","Journal of Solid State Chemistry","1972","4","","209","218","10.1016/0022-4596(72)90107-7","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001079","7.667","0.004","7.667","0.004","18.64","0.004","90","","90","","120","","948.9","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Tin tungsten oxide (10/16/46)","","- O46 Sn10 W16 -","- O46 Sn10 W16 -","- O46 Sn10 W16 -","1","0.0833333","","Goreaud, M; Labbe, P H; Raveau, B","A mixed-valence tungsten oxide of divalent tin: Sn~10~ W~16~ O~46~","Acta Crystallographica B (24,1968-38,1982)","1980","36","","15","19","10.1107/S0567740880002348","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001080","7.327","0.002","37.864","0.005","3.84","0.001","90","","90","","90","","1065.3","","","","","","","","","","","","","3","P m a b","-P 2b 2a","57","","Thallium tungsten oxide (2/4/13)","","- O13 Tl2 W4 -","- O13 Tl2 W4 -","- O52 Tl8 W16 -","4","0.5","","Goreaud, M; Labbe, P H; Monier, J C; Raveau, B","The thallium tungstate Tl~2~ W~4~ O~13~ : A tunnel structure related to the hexagonal tungsten bronze","Journal of Solid State Chemistry","1979","30","","311","319","10.1016/0022-4596(79)90242-1","","","","","","0.087","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001081","6.447","","3.797","","18.431","","90","","90","","90","","451.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium titanium niobium oxide","","- K Nb O5 Ti -","- K Nb O5 Ti -","- K4 Nb4 O20 Ti4 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Nonstoichiometric oxides with a layer structure: The compounds A~1- x~(Ti~1-x~ M~1+x~) O~5~","Journal of Solid State Chemistry","1980","31","","321","328","10.1016/0022-4596(80)90094-8","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001082","6.474","","3.8","","18.765","","90","","90","","90","","461.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium titanium niobium oxide (0.9/0.9/1.2/5)","","- K0.85 Nb1.15 O5 Ti0.85 -","- K0.85 Nb1.15 O5 Ti0.85 -","- K3.4 Nb4.6 O20 Ti3.4 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Nonstoichiometric oxides with a layer structure: The compounds A~1-x~ (Ti~1-x~ M~1+x~) O~5~","Journal of Solid State Chemistry","1980","31","","321","328","10.1016/0022-4596(80)90094-8","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001083","6.472","","3.814","","18.943","","90","","90","","90","","467.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rubidium titanium niobium oxide","","- Nb O5 Rb Ti -","- Nb O5 Rb Ti -","- Nb4 O20 Rb4 Ti4 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Nonstoichiometric oxides with a layer structure: The compounds A~1-x~ (Ti~1-x~ M~1+x~) O~5~","Journal of Solid State Chemistry","1980","31","","321","328","10.1016/0022-4596(80)90094-8","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001084","6.499","","3.812","","19.36","","90","","90","","90","","479.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rubidium titanium niobium oxide (0.9/0.9/1.2/5)","","- Nb1.15 O5 Rb0.85 Ti0.85 -","- Nb1.15 O5 Rb0.85 Ti0.85 -","- Nb4.6 O20 Rb3.4 Ti3.4 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Nonstoichiometric oxides with a layer structure: The compounds A~1-x~ (Ti~1-x~ M~1+x~) O~5~","Journal of Solid State Chemistry","1980","31","","321","328","10.1016/0022-4596(80)90094-8","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001085","6.456","","3.806","","18.844","","90","","90","","90","","463","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Thallium titanium niobium oxide","","- Nb O5 Ti Tl -","- Nb O5 Ti Tl -","- Nb4 O20 Ti4 Tl4 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Nonstoichiometric oxides with a layer structure: The comnounds A~1-x~ (Ti~1-x~ M~1+x~) O~5~","Journal of Solid State Chemistry","1980","31","","321","328","10.1016/0022-4596(80)90094-8","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001086","6.457","","3.799","","18.919","","90","","90","","90","","464.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Thallium titanium niobium oxide (.9/.9/1.1/5)","","- Nb1.1 O5 Ti0.9 Tl0.9 -","- Nb1.1 O5 Ti0.9 Tl0.9 -","- Nb4.4 O20 Ti3.6 Tl3.6 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Nonstoichiometric oxides with a layer structure: The comoounds A~1-x~ (Ti~1-x~ M~1+x~) O~5~","Journal of Solid State Chemistry","1980","31","","321","328","10.1016/0022-4596(80)90094-8","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001087","6.437","","3.797","","18.474","","90","","90","","90","","451.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium titanium tantalum oxide","","- K O5 Ta Ti -","- K O5 Ta Ti -","- K4 O20 Ta4 Ti4 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Nonstoichiometric oxides with a layer structure: The compounds A~1-x~ (Ti~1-x~ M~1+x~) O~5~","Journal of Solid State Chemistry","1980","31","","321","328","10.1016/0022-4596(80)90094-8","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001088","6.451","","3.812","","19","","90","","90","","90","","467.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rubidium titanium tantalum oxide","","- O5 Rb Ta Ti -","- O5 Rb Ta Ti -","- O20 Rb4 Ta4 Ti4 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Nonstoichiometric oxides with a layer structure: The compounds A~1-x~ (Ti~1-x~ M~1+x~) O~5~","Journal of Solid State Chemistry","1980","31","","321","328","10.1016/0022-4596(80)90094-8","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001089","7.83","0.01","39.06","0.05","6.57","0.01","90","","90","","90","","2009.4","","","","","","","","","","","","","4","P m n b","-P 2bc 2a","62","","Tetrarubidium 17-oxohexaniobate trihydrate","","- H6 Nb6 O20 Rb4 -","- H6 Nb6 O20 Rb4 -","- H24 Nb24 O80 Rb16 -","4","0.5","","Gasperin, M; le Bihan, M T","Un niobate de rubidium d'un type structural nouveau: Rb~4~ Nb~6~ O~17~*(H~2~ O)~3~","Journal of Solid State Chemistry","1980","33","","83","89","10.1016/0022-4596(80)90550-2","","","","","","0.124","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001090","5.5876","0.0003","5.5876","0.0003","13.867","0.001","90","","90","","120","","374.9","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bismuth iron(III) oxide","","- Bi Fe O3 -","- Bi Fe O3 -","- Bi6 Fe6 O18 -","6","0.333333","","Moreau, J M; Michel, C; Gerson, R; James, W J","Ferroelectric Bi Fe O~3~ X-Ray and neutron diffraction study","Journal of Physics and Chemistry of Solids","1971","32","","1315","1320","10.1016/S0022-3697(71)80189-0","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001091","4.745","","4.745","","9.305","","90","","90","","90","","209.5","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Ditantalum chromium(II) oxide","","- Cr O6 Ta2 -","- Cr O6 Ta2 -","- Cr2 O12 Ta4 -","2","0.125","","Massard, P; Bernier, J C; Michel, A","Structure cristalline et proprietes de l'oxyde Ta~2~ Cr O~6~","Annales de Chimie (Paris) (Vol=Year)","1971","1971","","41","52","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001092","10.7186","0.001","10.7186","0.001","10.7186","0.001","90","","90","","90","","1231.4","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Dilead ditin(IV) oxide hydrate","","- H2 O7 Pb2 Sn2 -","- H2.166 O7 Pb2 Sn2 -","- H17.328 O56 Pb16 Sn16 -","8","0.0416667","","Morgenstern Badarau, I; Michel, M A","Sur un compose de type pyrochlore de formule Pb~2~ Sn~2~ O~6~ (H~2~ O)X","Annales de Chimie (Paris) (Vol=Year)","1971","1971","","109","124","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001093","10.7186","0.001","10.7186","0.001","10.7186","0.001","90","","90","","90","","1231.4","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Dilead ditin(IV) oxide","","- O6 Pb2 Sn2 -","- O6 Pb2 Sn2 -","- O48 Pb16 Sn16 -","8","0.0416667","","Morgenstern Badarau, I; Michel, M A","Sur un compose de type pyrochlore de formule Pb~2~ Sn~2~ O~6~ (H~2~ O)X","Annales de Chimie (Paris) (Vol=Year)","1971","1971","","109","124","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001094","8.361","0.002","8.361","0.002","8.361","0.002","90","","90","","90","","584.5","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Dibarium iron(III) uranium(V) oxide","","- Ba2 Fe O6 U -","- Ba2 Fe O6 U -","- Ba8 Fe4 O24 U4 -","4","0.0208333","","Grenet, J V; Poix, P; Michel, A","Etude cristallographique des composes Ba~2~ Fe U O~6~ et Ba~2~ Cr U O~6~","Annales de Chimie (Paris) (Vol=Year)","1971","1971","","83","88","","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001095","8.301","0.002","8.301","0.002","8.301","0.002","90","","90","","90","","572","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Dibarium chromium uranium(V) oxide","","- Ba2 Cr O6 U -","- Ba2 Cr O6 U -","- Ba8 Cr4 O24 U4 -","4","0.166667","","Grenet, J V; Michel, A","Etude cristallographique des composes Ba~2~ Fe U O~6~ et Ba~2~ Cr U O~6~","Annales de Chimie (Paris) (Vol=Year)","1971","1971","","83","88","","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001096","14.391","0.01","7.196","0.005","6.045","0.005","90","","90","","112.08","0.05","580.1","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","Triyttrium rhenium(VII) oxide - $-beta temperature of 1173K","","- O8 Re Y3 -","- O8 Re Y3 -","- O32 Re4 Y12 -","4","1","","Baud, G; Besse, J P; Chevalier, R; Gasperin, M","Les differentes formes cristallines de Y~3~ Re O~8~: Relations avec la structure fluorine","Journal of Solid State Chemistry","1981","38","","186","191","10.1016/0022-4596(81)90034-7","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001097","6.862","0.001","6.862","0.001","5.871","0.001","90","","90","","90","","276.4","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Lanthanum barium copper oxide (3.6/2.4/1.8/9.6)","","- Ba2.4 Cu1.8 La3.6 O9.6 -","- Ba2.4 Cu1.8 La3.6 O9.6 -","- Ba2.4 Cu1.8 La3.6 O9.6 -","1","0.0625","","Michel, C; Er-Rakho, L; Raveau, B","Les oxydes La~4-2x~ Ba~2+2x~ Cu~2-x~ O~10-2x~: Une structure inedite constituee de groupements Cu O~4~ carres plans isoles","Journal of Solid State Chemistry","1981","39","","161","167","10.1016/0022-4596(81)90326-1","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001098","8.357","","8.357","","8.357","","90","","90","","90","","583.6","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium titanium oxide (1.3/1.7/4)","","- Li1.333 O4 Ti1.667 -","- Li1.3334 O4 Ti1.6666 -","- Li10.6672 O32 Ti13.3328 -","8","0.0416667","","Deschanvres, A; Raveau, B; Sekkal, Z","Mise en evidence et etude cristallographique d'une nouvelle solution solide de type spinelle Li~1+x~ Ti~2-x~ O~4~ 0<X<0,33~3~","Materials Research Bulletin","1971","6","","699","704","10.1016/0025-5408(71)90103-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001099","8.359","","8.359","","8.359","","90","","90","","90","","584.1","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium titanium oxide (1.2/1.8/4)","","- Li1.2 O4 Ti1.8 -","- Li1.2 O4 Ti1.8 -","- Li9.6 O32 Ti14.4 -","8","0.0416667","","Deschanvres, A; Raveau, B; Sekkal, Z","Mise en evidence et etude cristallographique d'une nouvelle solution solide de type spinelle Li~1+x~ Ti~2-x~ O~4~ 0<X<0,33~3~","Materials Research Bulletin","1971","6","","699","704","10.1016/0025-5408(71)90103-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001100","8.391","","8.391","","8.391","","90","","90","","90","","590.8","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium titanium oxide (1/2/4)","","- Li O4 Ti2 -","- Li O4 Ti2 -","- Li8 O32 Ti16 -","8","0.0416667","","Deschanvres, A; Raveau, B; Sekkal, Z","Mise en evidence et etude cristallographique d'une nouvelle solution solide de type spinelle Li~1+x~ Ti~2-x~ O~4~ 0<X<0,33~3~","Materials Research Bulletin","1971","6","","699","704","10.1016/0025-5408(71)90103-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001101","8.378","","8.378","","8.378","","90","","90","","90","","588.1","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium titanium oxide (1.1/1.9/4)","","- Li1.1 O4 Ti1.9 -","- Li1.1 O4 Ti1.9 -","- Li8.8 O32 Ti15.2 -","8","0.0416667","","Deschanvres, A; Raveau, B; Sekkal, Z","Mise en evidence et etude cristallographique d'une nouvelle solution solide de type spinelle Li~1+x~ Ti~2-x~ O~4~ 0<X<0,33~3~","Materials Research Bulletin","1971","6","","699","704","10.1016/0025-5408(71)90103-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001102","9.001","","9.001","","7.734","","90","","90","","120","","542.6","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Barium tantalosilicate *","","- Ba3 O26 Si4 Ta6 -","- Ba3 O26 Si4 Ta6 -","- Ba3 O26 Si4 Ta6 -","1","0.0833333","","Choisnet, J.; Nguyen, N.; Groult, D.; Raveau, B.","De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta)","Materials Research Bulletin","1976","11","","887","894","10.1016/0025-5408(76)90160-4","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001103","8.913","","8.913","","7.633","","90","","90","","120","","525.1","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Strontium tantalosilicate *","","- O26 Si4 Sr3 Ta6 -","- O26 Si4 Sr3 Ta6 -","- O26 Si4 Sr3 Ta6 -","1","0.0833333","","Choisnet, J.; Nguyen, N.; Groult, D.; Raveau, B.","De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta)","Materials Research Bulletin","1976","11","","887","894","10.1016/0025-5408(76)90160-4","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1001104","9.066","","9.066","","7.873","","90","","90","","120","","560.4","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Potassium silicate tantalate *","","- K6 O26 Si4 Ta6 -","- K6 O26 Si4 Ta6 -","- K6 O26 Si4 Ta6 -","1","0.0833333","","Choisnet, J; Nguyen, N; Groult, D; Raveau, B","De nouveaux oxydes a reseau forme d'octaedres Nb O~6~ (Ta O~6~) et de groupes Si~2~ O~7~: Les phases A~3~ Ta~6~ Si~4~ O~26~ (A= Ba, Sr) et K~6~ M~6~ Si~4~ O~26~ (M= Nb, Ta)","Materials Research Bulletin","1976","11","","887","894","10.1016/0025-5408(76)90160-4","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001105","9.032","","9.032","","8.041","","90","","90","","120","","568.1","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Potassium niobosilicate *","","- K6 Nb6 O26 Si4 -","- K6 Nb6 O26 Si4 -","- K6 Nb6 O26 Si4 -","1","0.0833333","","Choisnet, J; Nguyen, N; Groult, D; Raveau, B","De nouveaux oxydes a reseau forme d'octaedres Nb O~6~ (Ta O~6~) et de groupes Si~2~ O~7~: Les phases A~3~ Ta~6~ Si~4~ O~26~ (A= Ba, Sr) et K~6~ M~6~ Si~4~ O~26~ (M= Nb, Ta)","Materials Research Bulletin","1976","11","","887","894","10.1016/0025-5408(76)90160-4","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001106","18.371","0.006","3.794","0.001","9.199","0.003","90","","101.21","0.04","90","","628.9","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tripotassium pentatitanium niobium oxide","","- K3 Nb O14 Ti5 -","- K3 Nb O14 Ti5 -","- K6 Nb2 O28 Ti10 -","2","0.25","","Hervieu, M; Rebbah, A; Desgardin, G; Raveau, B","Layer Structure: The Oxides A~3~ Ti~5~ M O~14~","Journal of Solid State Chemistry","1980","35","","200","206","10.1016/0022-4596(80)90494-6","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001107","18.363","0.002","3.791","0.001","9.174","0.001","90","","101.28","0.01","90","","626.3","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tripotassium pentatitanium tantalum oxide","","- K3 O14 Ta Ti5 -","- K3 O14 Ta Ti5 -","- K6 O28 Ta2 Ti10 -","2","0.25","","Hervieu, M; Rebbah, A; Desgardin, G; Raveau, B","Layer Structure: The Oxides A~3~ Ti~5~ M O~14~","Journal of Solid State Chemistry","1980","35","","200","206","10.1016/0022-4596(80)90494-6","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001108","19.073","0.007","3.814","0.001","9.223","0.004","90","","100.93","0.04","90","","658.8","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Trirubidium pentatitanium niobium oxide","","- Nb O14 Rb3 Ti5 -","- Nb O14 Rb3 Ti5 -","- Nb2 O28 Rb6 Ti10 -","2","0.25","","Hervieu, M; Rebbah, A; Desgardin, G; Raveau, B","Layer Structuer: The Oxides A~3~ Ti~5~ M O~14~","Journal of Solid State Chemistry","1980","35","","200","206","10.1016/0022-4596(80)90494-6","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001109","6.9444","0.0009","12.7561","0.0019","4.2526","0.0005","90","","90","","90","","376.7","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Copper(I) Mercury Chloride selenide","","- Cl Cu Hg Se -","- Cl Cu Hg Se -","- Cl4 Cu4 Hg4 Se4 -","4","0.5","","Guillo, M; Mercey, B; Labbe, P H; Deschanvres, A","The Structure of Copper(I) Mercury(II) Chloride Selenide","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2520","2523","10.1107/S056774088000934X","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001110","6.1387","0.0009","7.6669","0.0012","8.9014","0.0037","90","","111","0.03","90","","391.1","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Calcium chloride tetrahydrate - γ","","- Ca Cl2 H8 O4 -","- Ca Cl2 H8 O4 -","- Ca2 Cl4 H16 O8 -","2","0.5","","Leclaire, A.; Borel, M. M.; Monier, J. C.","La Forme γ du Dichlorure de Calcium Tetrahydrate","Acta Crystallographica B (24,1968-38,1982)","1980","36","11","2757","2759","10.1107/S0567740880009909","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","189452","2020-10-21","18:00:00",""
"1001111","6.774","","6.774","","9.922","","90","","90","","120","","394.3","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Dipotassium titanium cyclo-trisilicate","","- K2 O9 Si3 Ti -","- K2 O9 Si3 Ti -","- K4 O18 Si6 Ti2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001112","6.896","","6.896","","9.943","","90","","90","","120","","409.5","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Dirubidium titanium cyclo-trisilicate","","- O9 Rb2 Si3 Ti -","- O9 Rb2 Si3 Ti -","- O18 Rb4 Si6 Ti2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001113","6.86","","6.86","","10.12","","90","","90","","120","","412.4","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Dipotassium tin(IV) cyclo-trisilicate","","- K2 O9 Si3 Sn -","- K2 O9 Si3 Sn -","- K4 O18 Si6 Sn2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001114","6.943","","6.943","","10.04","","90","","90","","120","","419.1","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Dirubidium tin(IV) cyclo-trisilicate","","- O9 Rb2 Si3 Sn -","- O9 Rb2 Si3 Sn -","- O18 Rb4 Si6 Sn2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.096","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001115","6.99","","6.99","","10.267","","90","","90","","120","","434.4","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Dithallium titanium cyclo-trigermanate","","- Ge3 O9 Ti Tl2 -","- Ge3 O9 Ti Tl2 -","- Ge6 O18 Ti2 Tl4 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.103","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001116","7.191","","7.191","","10.36","","90","","90","","120","","463.9","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Dicaesium titanium cyclo-trigermanate","","- Cs2 Ge3 O9 Ti -","- Cs2 Ge3 O9 Ti -","- Cs4 Ge6 O18 Ti2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001117","7.288","","7.288","","10.472","","90","","90","","120","","481.7","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Dicaesium tin(IV) cyclo-trigermanate","","- Cs2 Ge3 O9 Sn -","- Cs2 Ge3 O9 Sn -","- Cs4 Ge6 O18 Sn2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001118","11.916","","11.916","","10.018","","90","","90","","120","","1231.9","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Dipotassium titanium cyclo-trigermanate","","- Ge3 K2 O9 Ti -","- Ge3 K2 O9 Ti -","- Ge18 K12 O54 Ti6 -","6","0.5","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.096","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001119","12.195","","12.195","","10.148","","90","","90","","120","","1307","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","DIRUBIDIUM TITANIUM CYCLO-TRIGERMANATE","","- Ge3 O9 Rb2 Ti -","- Ge3 O9 Rb2 Ti -","- Ge18 O54 Rb12 Ti6 -","6","0.5","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001120","12.082","","12.082","","10.181","","90","","90","","120","","1287.1","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Dipotassium tin(IV) cyclo-trigermanate","","- Ge3 K2 O9 Sn -","- Ge3 K2 O9 Sn -","- Ge18 K12 O54 Sn6 -","6","0.5","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001121","12.305","","12.305","","10.205","","90","","90","","120","","1338.2","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Dirubidium tin(IV) cyclo-trigermanate","","- Ge3 O9 Rb2 Sn -","- Ge3 O9 Rb2 Sn -","- Ge18 O54 Rb12 Sn6 -","6","0.5","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001122","12.351","","12.351","","10.134","","90","","90","","120","","1338.8","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Dithallium tin(IV) cyclo-trigermanate","","- Ge3 O9 Sn Tl2 -","- Ge3 O9 Sn Tl2 -","- Ge18 O54 Sn6 Tl12 -","6","0.5","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001123","5.298","","5.377","","3.774","","90","","90","","90","","107.5","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Yttrium tantalum tungsten oxide (0.06/0.2/0.8/3)","","- O3 Ta0.18 W0.82 Y0.06 -","- O3 Ta0.18 W0.82 Y0.06 -","- O6 Ta0.36 W1.64 Y0.12 -","2","0.125","","Studer, F; Montfort, Y; Raveau, B","Evolution structurale de nouvelles Perovskites lacunaires Y~x~ (Ta~3x~ W~1-3X~) O~3~","Journal of Solid State Chemistry","1973","7","","269","276","10.1016/0022-4596(73)90133-3","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001124","3.833","","3.833","","3.833","","90","","90","","90","","56.3","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Yttrium tantalum tungsten oxide (0.2/0.7/0.3/3)","","- O3 Ta0.72 W0.28 Y0.24 -","- O3 Ta0.72 W0.28 Y0.24 -","- O3 Ta0.72 W0.28 Y0.24 -","1","0.0208333","","Studer, F; Montfort, Y; Raveau, B","Evolution structurale de nouvelles Perovskites lacunaires Y~x~ (Ta~3X~ W~1-3X~) O~3~","Journal of Solid State Chemistry","1973","7","","269","276","10.1016/0022-4596(73)90133-3","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001125","3.833","","3.833","","7.727","","90","","90","","90","","113.5","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Yttrium tantalum tungsten oxide (0.3/0.9/0.1/3)","","- O3 Ta0.9 W0.1 Y0.3 -","- O3 Ta0.9 W0.1 Y0.3 -","- O6 Ta1.8 W0.2 Y0.6 -","2","0.125","","Studer, F; Montfort, Y; Raveau, B","Evolution structurale de nouvelles Perovskites lacunaires Y~x~ (Ta~3X~ W~1-3X~) O~3~","Journal of Solid State Chemistry","1973","7","","269","276","10.1016/0022-4596(73)90133-3","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001126","10.54","","10.54","","10.54","","90","","90","","90","","1170.9","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","BISMUTH ZINC TANTALUM OXIDE (1.5/1/1.5/7)","","- Bi1.5 O7 Ta1.5 Zn -","- Bi1.5 O7 Ta1.5 Zn -","- Bi12 O56 Ta12 Zn8 -","8","0.0416667","","Jeanne, G; Desgardin, G; Raveau, B","Synthese et evolution structurale de nouveaux pyrochlores au bismuth","Materials Research Bulletin","1974","9","","1321","1332","10.1016/0025-5408(74)90054-3","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001127","8.78","0.05","5.17","0.05","6.88","0.05","90","","110","1","90","","293.5","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Sodium chlorate - metastable high temperature (255C) phase III","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","1","","Meyer, D; Gasperin, M","Etude Structurale d'une Phase haute Temperature instable du Chlorate de Sodium","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1973","96","","18","20","","","","","","","0.16","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1001128","8.469","0.003","8.469","0.003","8.469","0.003","90","","90","","90","","607.4","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Dibarium manganese uranium(VI) oxide","","- Ba2 Mn O6 U -","- Ba2 Mn O6 U -","- Ba8 Mn4 O24 U4 -","4","0.0208333","","Grenet, J C; Poix, P; Michel, A","Determinations crystallographiques et magnetiques sur l'oxyde mixte de formule Ba~2~ Mn U O~6~","Annales de Chimie (Paris) (Vol=Year)","1972","1972","","231","234","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001129","3.8207","0.0005","15.641","0.005","2.9814","0.0005","90","","90","","90","","178.2","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Potassium magnesium titanium oxide (0.8/0.4/1.6/4)","","- K0.8 Mg0.4 O4 Ti1.6 -","- K0.8 Mg0.4 O4 Ti1.6 -","- K1.6 Mg0.8 O8 Ti3.2 -","2","0.25","","Groult, D; Mercey, C; Raveau, B","Nouveaux oxydes a structure en feuillets: Les titanates de potassium non-stoechiometriques K~X~ (M~Y~ Ti~2-Y~) O~4~","Journal of Solid State Chemistry","1980","32","","289","296","10.1016/S0022-4596(80)80022-3","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001130","3.8064","0.0005","15.692","0.005","2.985","0.0005","90","","90","","90","","178.3","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Potassium zinc titanium oxide (0.8/0.4/1.6/4)","","- K0.8 O4 Ti1.6 Zn0.4 -","- K0.8 O4 Ti1.6 Zn0.4 -","- K1.6 O8 Ti3.2 Zn0.8 -","2","0.25","","Groult, D; Mercey, C; Raveau, B","Nouveaux oxydes a structure en feuillets: Les titanates de potassium non-stoechiometriques K~X~ (M~Y~ Ti~2-Y~) O~4~","Journal of Solid State Chemistry","1980","32","","289","296","10.1016/S0022-4596(80)80022-3","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001131","9.326","","18.412","","3.798","","90","","90","","90","","652.2","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Caesium dititanium niobium oxide","","- Cs Nb O7 Ti2 -","- Cs Nb O7 Ti2 -","- Cs4 Nb4 O28 Ti8 -","4","0.5","","Hervieu, M; Raveau, B","A Layer Structure: The Titanoniobate Cs Ti~2~ Nb O~7~","Journal of Solid State Chemistry","1980","32","","161","165","10.1016/0022-4596(80)90562-9","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001132","8.379","","8.379","","8.379","","90","","90","","90","","588.3","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Dibarium magnesium uranium(VI) oxide","","- Ba2 Mg O6 U -","- Ba2 Mg O6 U -","- Ba8 Mg4 O24 U4 -","4","0.0208333","","Padel, L; Poix, P; Michel, A","Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ - Ba~2~ Fe~1.333~ U.~667~ O~6~","Revue de Chimie Minerale","1972","9","","337","350","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001133","8.25","","8.25","","8.25","","90","","90","","90","","561.5","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Barium iron uranium oxide (2/1.3/0.7/6)","","- Ba2 Fe1.333 O6 U0.667 -","- Ba2 Fe1.333 O6 U0.667 -","- Ba8 Fe5.332 O24 U2.668 -","4","0.166667","","Padel, L; Poix, P; Michel, A","Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ - Ba~2~ Fe~1.333~ U.~667~ O~6~","Revue de Chimie Minerale","1972","9","","337","350","","","","","","","0.0428","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001134","8.328","","8.328","","8.328","","90","","90","","90","","577.6","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Barium magnesium iron uranium oxide (2/0.5/0.7/0.8/6)","","- Ba2 Fe0.667 Mg0.5 O6 U0.833 -","- Ba2 Fe0.667 Mg0.5 O6 U0.833 -","- Ba8 Fe2.668 Mg2 O24 U3.332 -","4","0.166667","","Padel, L; Poix, P; Michel, A","Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ - Ba~2~ Fe~1.333~ U.~667~ O~6~","Revue de Chimie Minerale","1972","9","","337","350","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001135","12.89","0.002","12.725","0.002","12.654","0.003","90","","90","","90","","2075.6","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cadmium phosphide iodide (4/2/3)","","- Cd4 I3 P2 -","- Cd4 I3 P2 -","- Cd32 I24 P16 -","8","1","","Rebbah, A; Yazbeck, J; Deschanvres, A","Structure de Cd~4~ P~2~ I~3~","Acta Crystallographica B (24,1968-38,1982)","1980","36","","1747","1749","10.1107/S0567740880007157","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001136","10.169","","10.169","","14.182","","90","","90","","120","","1270.1","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","Dipotassium trimagnesium dicopper closo-30-oxododecasilicate","","- Cu2 K2 Mg3 O30 Si12 -","- Cu1.9999 K2 Mg3.0001 O30 Si12 -","- Cu3.9998 K4 Mg6.0002 O60 Si24 -","2","0.0833333","","Nguyen, N; Choisnet, J; Raveau, B","Silicates synthetiques a structure milarite","Journal of Solid State Chemistry","1980","34","","1","9","10.1016/0022-4596(80)90395-3","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001137","10.199","","10.199","","14.145","","90","","90","","120","","1274.2","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","Dipotassium trimagnesium dizinc closo-30-oxododecasilicate","","- K2 Mg3 O30 Si12 Zn2 -","- K2 Mg2.9999 O30 Si12 Zn2.0001 -","- K4 Mg5.9998 O60 Si24 Zn4.0002 -","2","0.0833333","","Nguyen, N; Choisnet, J; Raveau, B","Silicates synthetiques a structure milarite","Journal of Solid State Chemistry","1980","34","","1","9","10.1016/0022-4596(80)90395-3","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001138","10.151","","10.151","","14.288","","90","","90","","120","","1275","","","","","","","","","","","","","4","P 6/m c c","-P 6 2c","192","","Disodium pentamagnesium closo-30-oxododecasilicate","","- Mg5 Na2 O30 Si12 -","- Mg5 Na2 O30 Si12 -","- Mg10 Na4 O60 Si24 -","2","0.0833333","","Nguyen, N; Choisnet, J; Raveau, B","Silicates synthetiques a structure milarite","Journal of Solid State Chemistry","1980","34","","1","9","10.1016/0022-4596(80)90395-3","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001139","10.096","","10.096","","14.25","","90","","90","","120","","1257.9","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","Disodium trimagnesium dicopper closo-30-oxododecasilicate","","- Cu2 Mg3 Na2 O30 Si12 -","- Cu2.0001 Mg2.9999 Na2 O30 Si12 -","- Cu4.0002 Mg5.9998 Na4 O60 Si24 -","2","0.0833333","","Nguyen, N; Choisnet, J; Raveau, B","Silicates synthetiques a structure milarite","Journal of Solid State Chemistry","1980","34","","1","9","10.1016/0022-4596(80)90395-3","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001140","10.135","","10.135","","14.376","","90","","90","","120","","1278.8","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","Rubidium sodium pentamagnesium dodecasilicate","","- Mg5 Na O30 Rb Si12 -","- Mg5 Na O30 Rb Si12 -","- Mg10 Na2 O60 Rb2 Si24 -","2","0.0833333","","Nguyen, N; Choisnet, J; Raveau, B","Silicates synthetiques a structure milarite","Journal of Solid State Chemistry","1980","34","","1","9","10.1016/0022-4596(80)90395-3","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001141","10.253","","10.253","","14.04","","90","","90","","120","","1278.2","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","Tripotassium tetramagnesium lithium closo-30-oxododecasilicate","","- K3 Li Mg4 O30 Si12 -","- K3 Li0.9999 Mg4.0001 O30 Si12 -","- K6 Li1.9998 Mg8.0002 O60 Si24 -","2","0.0833333","","Nguyen, N; Choisnet, J; Raveau, B","Silicates synthetiques a structure milarite","Journal of Solid State Chemistry","1980","34","","1","9","10.1016/0022-4596(80)90395-3","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001142","10.155","","10.155","","14.158","","90","","90","","120","","1264.4","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","Trisodium tetramagnesium lithium closo-30-oxododecasilicate","","- Li Mg4 Na3 O30 Si12 -","- Li0.9999 Mg4.0001 Na3 O30 Si12 -","- Li1.9998 Mg8.0002 Na6 O60 Si24 -","2","0.0833333","","Nguyen, N; Choisnet, J; Raveau, B","Silicates synthetiques a structure milarite","Journal of Solid State Chemistry","1980","34","","1","9","10.1016/0022-4596(80)90395-3","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001143","7.28","","12.62","","16.02","","90","","90","","90","","1471.8","","","","","","","","","","","","","4","F d d d :1","F 2 2 -1d","70","","Uranium(VI) titanium diniobium oxide","","- Nb2 O10 Ti U -","- Nb2 O10 Ti U -","- Nb16 O80 Ti8 U8 -","8","0.25","","Chevalier, R; Gasperin, M","Synthese en monocristaux et structure cristalline de l'oxyde U Ti Nb~2~ O~10~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","268","","1426","1428","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001144","5.169","","5.169","","4.222","","90","","90","","120","","97.7","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Iron germanium (3:1)","","- Fe3 Ge -","- Fe3 Ge -","- Fe6 Ge2 -","2","0.0833333","","Turbil, J P; Billiet, Y; Michel, A","Contribution a l'etude cristallographique de la phase Fe~3~ Ge de structure D O~19~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","309","311","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001145","9.151","0.003","9.151","0.003","9.151","0.003","90","","90","","90","","766.3","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Cadmium tin(IV) oxide (1.3/1.3/4)","","- Cd1.333 O4 Sn1.333 -","- Cd1.333 O4 Sn1.334 -","- Cd10.664 O32 Sn10.672 -","8","0.0416667","","Levy-Clement, C; Morgenstern Badarau, I; Billiet, Y; Michel, A","Mise en evidence d'une nouvelle variete structurale de type spinelle lacunaire de l'oxyde mixte Cd Sn O~3~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1970","270","","1860","1862","","","","","","","0.0867","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001146","10.7186","0.001","10.7186","0.001","10.7186","0.001","90","","90","","90","","1231.4","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Dilead ditin(IV) oxide 0.7-hydrate","","- H1.4 O6.7 Pb2 Sn2 -","- H2.1 O6.7 Pb2 Sn2 -","- H16.8 O53.6 Pb16 Sn16 -","8","0.0416667","","Morgenstern Badarau, I; Michel, A","Mise en evidence d'une nouvelle phase de type pyrochlore: Pb~2~ Sn~2~ O~6~ (H~2~ O)~x~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1970","271","","1313","1316","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001147","10.402","0.005","10.402","0.005","10.402","0.005","90","","90","","90","","1125.5","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Silver tantalum tungsten oxide hydrate","","- Ag H2 O7 Ta W -","- Ag H3 O7 Ta W -","- Ag8 H24 O56 Ta8 W8 -","8","0.0416667","","Groult, D; Michel, C; Raveau, B","Sur deux pyrochlores inedits: Ag Ta W O~6~ (H~2~ O) et Ag Nb W O~6~ (H~2~ O)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1972","274","","374","377","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001148","10.416","0.005","10.416","0.005","10.416","0.005","90","","90","","90","","1130.1","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Silver niobium tungsten oxide hydrate","","- Ag H2 Nb O7 W -","- Ag H3 Nb O7 W -","- Ag8 H24 Nb8 O56 W8 -","8","0.0416667","","Groult, D; Michel, C; Raveau, B","Sur deux pyrochlores inedits: Ag Ta W O~6~ (H~2~ O) et Ag Nb W O~6~ (H~2~ O)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1972","274","","374","377","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001149","10.523","","10.523","","10.523","","90","","90","","90","","1165.2","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium tantalum tungsten oxide (1.5/1.5/0.5/6)","","- O6 Ta1.5 Tl1.5 W0.5 -","- O6 Ta1.5 Tl1.5 W0.5 -","- O48 Ta12 Tl12 W4 -","8","0.0416667","","Allais, G; Michel, C; Raveau, B","Contribution a l'etude des pyrochlores de thallium non stoechiometriques Tl~2-x~ Ta~1+x~ W~1-x~ O~6~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1972","274","","1625","1628","","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001150","12.31","","7.19","","4.115","","90","","90","","90","","364.2","","","","","","","","","","","","","3","P b m a","-P 2a 2ab","57","","Uranium(V) vanadium oxide","","- O5 U V -","- O5 U V -","- O20 U4 V4 -","4","0.5","","Chevalier, R; Gasperin, M","Structure cristalline de U V O~5~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1970","93","","18","22","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001151","4.667","","4.667","","9.129","","90","","90","","90","","198.8","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Ditantalum vanadium(II) oxide","","- O6 Ta2 V -","- O6 Ta2 V -","- O12 Ta4 V2 -","2","0.125","","Bernigaud, G; Bernier, J C; Michel, A","Evolution de l'ordre cristallographique dans les systemes Ta~2~ V O~6~ - V O~2~ et W V~2~ O~6~ - V O~2~","Revue Internationale des Hautes Temperatures et des Refractaires","1971","8","","261","268","","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001152","8.395","","8.395","","8.395","","90","","90","","90","","591.6","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Dizinc vanadium(IV) oxide","","- O4 V Zn2 -","- O4 V Zn2 -","- O32 V8 Zn16 -","8","0.0416667","","Bernier, J C; Poix, P; Michel, A","Etude cristallographique des phases de type spinelle Mn~2~ V O~4~, Zn~2~ V O~4~, Co~2~ V O~4~","Bulletin de la Societe Chimique de France (Vol=Year)","1963","1963","","1724","1728","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001153","8.382","","8.382","","8.382","","90","","90","","90","","588.9","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Dicobalt vanadium(IV) oxide","","- Co2 O4 V -","- Co2 O4 V -","- Co16 O32 V8 -","8","0.0416667","","Bernier, J C; Poix, P; Michel, A","Etude cristallographique des phases de type spinelle Mn~2~ V O~4~, Zn~2~ V O~4~, Co~2~ V O~4~","Bulletin de la Societe Chimique de France (Vol=Year)","1963","1963","","1724","1728","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001154","8.575","","8.575","","8.575","","90","","90","","90","","630.5","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Dimanganese vanadium(IV) oxide","","- Mn2 O4 V -","- Mn2 O4 V -","- Mn16 O32 V8 -","8","0.0416667","","Bernier, J C; Poix, P; Michel, A","Ztude cristallographique des phases de type spinelle Mn~2~ V O~4~, Zn~2~ V O~4~, Co~2~ V O~4~","Bulletin de la Societe Chimique de France (Vol=Year)","1963","1963","","1724","1728","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001155","8.276","","8.276","","8.276","","90","","90","","90","","566.8","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium cobalt vanadium oxide","","- Co Li O4 V -","- Co Li O4 V -","- Co8 Li8 O32 V8 -","8","0.0416667","","Bernier, J C; Poix, P; Michel, A","Etude cristallographique et magnetique de deux vanadates mixtes spinelles","Bulletin de la Societe Chimique de France (Vol=Year)","1963","1963","","445","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001156","8.215","","8.215","","8.215","","90","","90","","90","","554.4","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium nickel vanadium oxide","","- Li Ni O4 V -","- Li Ni O4 V -","- Li8 Ni8 O32 V8 -","8","0.0416667","","Bernier, J C; Poix, P; Michel, A","Etude cristallographique et magnetique de deux vanadates mixtes spinelles","Bulletin de la Societe Chimique de France (Vol=Year)","1963","1963","","445","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001157","3.744","","11.337","","20.047","","90","","90","","90","","850.9","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Europium strontium copper oxide (1.3/1.7/2/5.65)","","- Cu2 Eu1.3 O5.65 Sr1.7 -","- Cu2 Eu1.3 O5.65067 Sr1.7 -","- Cu12 Eu7.8 O33.904 Sr10.2 -","6","0.375","","Nguyen, N; Choisnet, J; Raveau, B","Intercroissances des structures de type Perovskite et Sr O deficitaires en oxygene: les oxydes Ln~2-x~ Sr~1+x~ Cu~2~ O~6-x/2~ (Ln = Sm, Eu, Gd)","Materials Research Bulletin","1982","17","","567","573","10.1016/0025-5408(82)90037-X","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001158","11.9866","0.0011","15.55","0.0015","5.3197","0.0013","90","","90","","90","","991.5","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Octaphosphorus dodecatungsten 52-oxide","","- O52 P8 W12 -","- O52 P8 W12 -","- O52 P8 W12 -","1","0.125","","Domenges, B; Goreaud, M; Labbe, P; Raveau, B","P~8~ W~12~ O~52~: A Mixed-Valence Tungsten Oxide Built up from W O~6~ Octahedra and P~2~ O~7~ Groups","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1724","1728","10.1107/S0567740882007031","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001159","8.44","0.003","13.034","0.004","8.203","0.003","90","","112.49","0.02","90","","833.8","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Cyclo-heptathioamidinium","","- H N S7 -","- H1.5 N S7 -","- H6 N4 S28 -","4","1","","Gasperin, M; Freymann, R; Garcia-Fernandez, H","Les Complexes a Transfert de Charge Octasoufre - Sulfurimine. Etude Structurale du Compose Octasoufre - Cyclotetraazathiane (3:1)","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1728","1731","10.1107/S0567740882007043","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001160","17.6","0.05","17.6","0.05","3.905","","90","","90","","90","","1209.6","","","","","","","","","","","","","3","P 4","P 4","75","","Barium tantalum oxide (5.5/21.8/60)","","- Ba5.5 O60 Ta21.8 -","- Ba5.5 O60 Ta21.8 -","- Ba5.5 O60 Ta21.8 -","1","0.25","","Gasperin, M","Structure cristalline du bronze de tungstene: Ba O (Ta~2~ O~5~)~2~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","172","175","","","","","","","0.22","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001161","7.858","0.004","9.193","0.009","8.189","0.005","90","","119.95","0.08","90","","512.6","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cadmium arsenic chloride *","","- As Cd2 Cl2 -","- As Cd2 Cl2 -","- As4 Cd8 Cl8 -","4","1","","Rebbah, A; Yazbeck, J; Leclaire, A; Deschanvres, A","Structure du Dichlorure d'Arsenic et de Dicadmium","Acta Crystallographica B (24,1968-38,1982)","1980","36","","771","773","10.1107/S0567740880004505","","","","","","0.099","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001162","7.42","","7.42","","3.881","","90","","90","","120","","185","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Bismuth(V) tantalum(III) tungsten oxide *","","- Bi O10 Ta W2 -","- Bi O10 Ta0.9999 W2.0001 -","- Bi O10 Ta0.9999 W2.0001 -","1","0.0833333","","Deschanvres, A; Leparmentier, L; Raveau, B","Sur une nouvelle phase metastable Bi~1-x~ (Ta~1+x~ W~2-x~) O~10-2x~ apparentee aux bronzes hexagonaux de tungstene","Bulletin de la Societe Chimique de France (Vol=Year)","1971","1971","","3459","3463","","","","","","","0.136","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001163","10.39","","10.39","","10.39","","90","","90","","90","","1121.6","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Oxonium tantalum tungsten oxide (1/1/1/6)","","- H3 O7 Ta W -","- H8 O7 Ta W -","- H64 O56 Ta8 W8 -","8","0.0416667","","Hervieu, M; Michel, C; Raveau, B","Proprietes d'echanges d'ions de quelques oxydes ternaires de type pyrochlore: les pyrochlores H~1+x~ (H~2~ O) Ta~1+x~ W~1-x~ O~6~ et N H~4~ Ta W O~6~","Bulletin de la Societe Chimique de France (Vol=Year)","1971","1971","","3939","3943","","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001164","10.485","","10.485","","10.485","","90","","90","","90","","1152.7","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Oxonium tantalum tungsten oxide (1.4/1.4/.6/5.6)","","- H3.4 O7 Ta1.4 W0.6 -","- H8.8 O7 Ta1.4 W0.6 -","- H70.4 O56 Ta11.2 W4.8 -","8","0.0416667","","Hervieu, M; Michel, C; Raveau, B","Proprietes d'echanges d'ions de quelques oxydes ternaires de type pyrochlore: les pyrochlores H~1+x~ (H~2~ O) Ta~1+x~ W~1-x~ O~6~ et N H~4~ Ta W O~6~","Bulletin de la Societe Chimique de France (Vol=Year)","1971","1971","","3939","3943","","","","","","","0.093","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001165","10.55","","10.55","","10.55","","90","","90","","90","","1174.2","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Oxonium tantalum tungsten oxide (1.8/1.8/.2/5.2)","","- H3.8 O7 Ta1.8 W0.2 -","- H9.6 O7 Ta1.8 W0.2 -","- H76.8 O56 Ta14.4 W1.6 -","8","0.0416667","","Hervieu, M; Michel, C; Raveau, B","Proprietes d'echanges d'ions de quelques oxydes ternaires de type pyrochlore: les pyrochlores H~1+x~ (H~2~ O) Ta~1+x~ W~1-x~ O~6~ et N H~4~ Ta W O~6~","Bulletin de la Societe Chimique de France (Vol=Year)","1971","1971","","3939","3943","","","","","","","0.091","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001166","10.58","","10.58","","10.58","","90","","90","","90","","1184.3","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Oxonium hydrogen tantalum oxide (1/1/2/6)","","- H4 O7 Ta2 -","- H10 O7 Ta2 -","- H80 O56 Ta16 -","8","0.0416667","","Hervieu, M; Michel, C; Raveau, B","Proprietes d'echanges d'ions de quelques oxydes ternaires de type pyrochlore: les pyrochlores H~1+x~ (H~2~ O) Ta~1+x~ W~1-x~ O~6~ et N H~4~ Ta W O~6~","Bulletin de la Societe Chimique de France (Vol=Year)","1971","1971","","3939","3943","","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001167","10.358","0.005","10.358","0.005","10.358","0.005","90","","90","","90","","1111.3","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Ammonium tantalum tungsten oxide (1/1/1/6)","","- H4 N O6 Ta W -","- H4 N O6 Ta W -","- H32 N8 O48 Ta8 W8 -","8","0.0416667","","Hervieu, M; Michel, C; Raveau, B","Proprietes d'echanges d'ions de quelques oxydes ternaires de type pyrochlore: les pyrochlores H~1+x~ (H~2~ O) Ta~1+x~ W~1-x~ O~6~ et N H~4~ Ta W O~6~","Bulletin de la Societe Chimique de France (Vol=Year)","1971","1971","","3939","3943","","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001168","10.52","","10.52","","10.52","","90","","90","","90","","1164.3","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Lead niobium titanium oxide (2/1.3/.7/6.7)","","- Nb1.33 O6.66 Pb2 Ti0.66 -","- Nb1.334 O6.6667 Pb2 Ti0.666 -","- Nb10.672 O53.3336 Pb16 Ti5.328 -","8","0.0416667","","Bachelier, J; Hervieu, M; Quemeneur, E","Contribution a l'etude du compose Pb~2-x~ M~2~ O~7-y~ (M = Nb, Ti)","Bulletin de la Societe Chimique de France (Vol=Year)","1973","1973","","2593","2595","","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001169","24.4219","0.0021","22.3429","0.0022","7.5416","0.0013","90","","90","","90","","4115.1","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","Cadmium hexachloroniccolate dodecahydrate","","- Cd2 Cl6 H24 Ni O12 -","- Cd2 Cl6 H24 Ni O12 -","- Cd16 Cl48 H192 Ni8 O96 -","8","0.5","","Leclaire, A; Borel, M M","Structure de l'Hexachlorure de Dicadmium et de Nickel Dodecahydrate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","3088","3090","10.1107/S0567740880010850","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001170","6.634","0.002","12.008","0.001","16.08","0.004","90","","108.68","0.02","90","","1213.5","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaaquanickel catena-aquadecachlorotetracadmate trihydrate","","- Cd4 Cl10 H20 Ni O10 -","- Cd4 Cl10 H20 Ni O10 -","- Cd8 Cl20 H40 Ni2 O20 -","2","0.5","","Leclaire, A; Borel, M M","Structure du Decachlorure de Tetracadmium et de Nickel Monohydrate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","3090","3093","10.1107/S0567740880010862","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001171","10.484","0.002","28.898","0.004","7.464","0.002","90","","90","","90","","2261.3","","","","","","","","","","","","","3","P 2 n n","P -2n 2","34","","Caesium niobium oxide (2/4/11)","","- Cs2 Nb4 O11 -","- Cs2 Nb4 O11 -","- Cs16 Nb32 O88 -","8","2","","Gasperin, M","Structure du Niobate de Cesium Cs~2~ Nb~4~ O~11~","Acta Crystallographica B (24,1968-38,1982)","1981","37","","641","643","10.1107/S0567740881003749","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001172","5.5253","0.0004","5.5253","0.0004","11.721","0.001","90","","90","","90","","357.8","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Lanthanum barium copper oxide (3/3/6/14)","","- Ba3 Cu6 La3 O14 -","- Ba3 Cu6 La3 O14 -","- Ba3 Cu6 La3 O14 -","1","0.0625","","Er-Rakho, L; Michel, C; Provost, J; Raveau, B","A Series of Oxygen-Defect Perovskites Containing Cu(II) and Cu(III): The Oxides La~3-x~ Ln~x~ Ba~3~ (Cu(II)~5-2y~ Cu(III)~1+2y~) O~14+y~","Journal of Solid State Chemistry","1981","37","","151","156","10.1016/0022-4596(81)90080-3","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001173","13.991","0.003","3.765","0.0005","8.561","0.001","90","","114.22","0.01","90","","411.3","","","","","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","Rubidium diphosphorus hexatungsten oxide (.5/2/6/22)","","- O22 P2 Rb0.45 W6 -","- O22 P2 Rb0.45 W6 -","- O22 P2 Rb0.45 W6 -","1","0.25","","Giroult, J P; Goreaud, M; Labbe, P; Raveau, B","Bronzes with a Tunnel Structure Rb~x~ P~8~ W~8n~ O~24n+16~. II. The Third Term of the Series: Rb~x~ P~8~ W~24~ O~88~","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1163","1166","10.1107/S0567740881005426","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001174","7.38","","12.78","","15.96","","90","","90","","90","","1505.3","","","","","","","","","","","","","3","F d d d :1","F 2 2 -1d","70","","Uranium(VI) diniobium niobium(IV) oxide","","- Nb3 O10 U -","- Nb3 O10 U -","- Nb24 O80 U8 -","8","0.25","","Chevalier, R; Gasperin, M","Structure cristalline de l'oxyde double U Nb~3~ O~10~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","267","","481","483","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001175","5.77","0.002","5.77","0.002","14.14","0.015","90","","90","","120","","407.7","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium iron(III) tungsten nonaoxide","","- Ba3 Fe2 O9 W -","- Ba3 Fe2 O9 W -","- Ba6 Fe4 O18 W2 -","2","0.0833333","","Seveque, F; Delamoye, P; Poix, P; Michel, A","Preparation et caracteres cristallographiques de l'oxyde mixte Ba~3~ Fe~2~ W O~9~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","1536","1538","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001176","5.61","0.01","5.61","0.01","5.61","0.01","90","","90","","90","","176.6","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lanthanum molybdenum oxide *","","- La2.4 Mo1.6 O8 -","- La2.4 Mo1.6 O8 -","- La2.4 Mo1.6 O8 -","1","0.00520833","","Hubert, P H; Michel, P; Vincent, C","Structure du molybdite de lanthane La~3~ Mo~2~ O~10~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","1287","1289","","","","","","","0.091","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001177","10.37","","10.37","","10.37","","90","","90","","90","","1115.2","","","","","","","","","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","Calcium heptaoxoditantalate","Microlite","- Ca2 O7 Ta2 -","- Ca2 O7 Ta2 -","- Ca16 O56 Ta16 -","8","0.0416667","","Gasperin, M","Synthese et identification de deux oxydes doubles de tantale et d'etain.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1955","240","","2340","2342","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1001178","10.37","","10.37","","10.37","","90","","90","","90","","1115.2","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Cadmium heptaoxodiniobate","","- Cd2 Nb2 O7 -","- Cd2 Nb2 O7 -","- Cd16 Nb16 O56 -","8","0.0416667","","Gasperin, M","Synthese et identification de deux oxydes doubles de tantale et d'etain.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1955","240","","2340","2342","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001179","10.38","","10.38","","10.38","","90","","90","","90","","1118.4","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Cadmium heptaoxoditantalate","","- Cd2 O7 Ta2 -","- Cd2 O7 Ta2 -","- Cd16 O56 Ta16 -","8","0.0416667","","Gasperin, M","Synthese et identification de deux oxydes doubles de tantale et d'etain.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1955","240","","2340","2342","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001180","6.2277","0.0009","6.2277","0.0009","6.2277","0.0009","99.01","0.01","99.01","0.01","99.01","0.01","231.5","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Hexaindium tungsten oxide","","- In6 O12 W -","- In6 O12 W -","- In6 O12 W -","1","0.166667","","Michel, D; Kahn, A","The Structure of Indium Tungstate In~6~ W O~12~: Its Relation with the Fluorite Structure","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1437","1441","10.1107/S0567740882006104","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001181","6.914","0.001","6.914","0.001","11.594","0.007","90","","90","","90","","554.2","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Tetralanthanum dibarium dizinc oxide","","- Ba2 La4 O10 Zn2 -","- Ba2 La4 O10 Zn2 -","- Ba4 La8 O20 Zn4 -","2","0.0625","","Michel, C; Er-Rakho, L; Raveau, B","Une nouvelle famille structurale: Les Oxydes Ln~4-2x~ Ba~2+2x~ Zn~2-x~ O~10-2x~ (Ln = La, Nd)","Journal of Solid State Chemistry","1982","42","","176","182","10.1016/0022-4596(82)90265-1","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001182","6.756","0.001","6.756","0.001","11.54","0.005","90","","90","","90","","526.7","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Tetraneodymium dibarium dizinc oxide","","- Ba2 Nd4 O10 Zn2 -","- Ba2 Nd4 O10 Zn2 -","- Ba4 Nd8 O20 Zn4 -","2","0.0625","","Michel, C; Er-Rakho, L; Raveau, B","Une nouvelle famille structurale: Les Oxydes Ln~4-2x~ Ba~2+2x~ Zn~2-x~ O~10-2x~ (Ln = La, Nd)","Journal of Solid State Chemistry","1982","42","","176","182","10.1016/0022-4596(82)90265-1","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001183","10.4","","10.4","","10.4","","90","","90","","90","","1124.9","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Sodium uranium(VI) niobium oxide (.8/.5/2/6.8)","","- Na0.82 Nb2 O6.76 U0.45 -","- Na0.82 Nb2 O6.76 U0.45 -","- Na6.56 Nb16 O54.08 U3.6 -","8","0.0416667","","Chevalier, R; Gasperin, M","Mise en evidence d'une transformation ordre-desordre dans un cristal de type pyrochlore.","Acta Crystallographica B (24,1968-38,1982)","1972","28","","985","986","10.1107/S0567740872003553","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001184","3.875","0.005","3.875","0.005","3.875","0.005","90","","90","","90","","58.2","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Calcium tantalate","","- Ca0.5 O3 Ta -","- Ca0.5 O3 Ta -","- Ca0.5 O3 Ta -","1","0.0208333","","Gasperin, M","Contribution a l'etude de quelques oxydes doubles que forme le tantale avec l'etain, l'uranium et le calcium.","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1960","83","","1","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001185","3.88","","3.88","","3.88","","90","","90","","90","","58.4","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Tin(IV) tantalate","","- O3 Sn0.25 Ta -","- O3 Sn0.25 Ta -","- O3 Sn0.25 Ta -","1","0.0208333","","Gasperin, M","Contribution a l'etude de quelques oxydes doubles que forme le tantale avec l'etain, l'uranium et le calcium.","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1960","83","","1","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001186","3.96","","3.96","","3.96","","90","","90","","90","","62.1","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Calcium tantalum oxide (.9/.8/3)","","- Ca0.91 O3 Ta0.84 -","- Ca0.91 O3 Ta0.84 -","- Ca0.91 O3 Ta0.84 -","1","0.0208333","","Gasperin, M","Contribution a l'etude de quelques oxydes doubles que forme le tantale avec l'etain, l'uranium et le calcium.","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1960","83","","1","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001187","8.65","0.01","8.65","0.01","8.65","0.01","90","","90","","90","","647.2","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Dizinc tin(IV) oxide","","- O4 Sn Zn2 -","- O4 Sn Zn2 -","- O32 Sn8 Zn16 -","8","0.0416667","","Choisnet, J; Deschanvres, A; Raveau, B","Substitution du zinc par le cadmium dans le spinelle Zn~2~ Sn O~4~. Etude de la repartition des cations dans la solution solide Zn~2-2x~ Cd~2x~ Sn O~4~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","266","","543","545","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001188","8.71","0.01","8.71","0.01","8.71","0.01","90","","90","","90","","660.8","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Zinc cadmium tin(IV) oxide (1.8/.2/1/4)","","- Cd0.2 O4 Sn Zn1.8 -","- Cd0.2 O4 Sn Zn1.8 -","- Cd1.6 O32 Sn8 Zn14.4 -","8","0.0416667","","Choisnet, J; Deschanvres, A; Raveau, B","Substitution du zinc par le cadmium dans le spinelle Zn~2~ Sn O~4~. Etude de la repartition des cations dans la solution solide Zn~2-2x~ Cd~2x~ Sn O~4~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","266","","543","545","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001189","8.76","0.01","8.76","0.01","8.76","0.01","90","","90","","90","","672.2","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Zinc cadmium tin(IV) oxide (1.6/.4/1/4)","","- Cd0.4 O4 Sn Zn1.6 -","- Cd0.4 O4 Sn Zn1.6 -","- Cd3.2 O32 Sn8 Zn12.8 -","8","0.0416667","","Choisnet, J; Deschanvres, A; Raveau, B","Substitution du zinc par le cadmium dans le spinelle Zn~2~ Sn O~4~. Etude de la repartition des cations dans la solution solide Zn~2-2x~ Cd~2x~ Sn O~4~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","266","","543","545","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001190","8.82","0.01","8.82","0.01","8.82","0.01","90","","90","","90","","686.1","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Zinc cadmium tin(IV) oxide (1.4/.6/1)","","- Cd0.6 O4 Sn Zn1.4 -","- Cd0.6 O4 Sn Zn1.4 -","- Cd4.8 O32 Sn8 Zn11.2 -","8","0.0416667","","Choisnet, J; Deschanvres, A; Raveau, B","Substitution du zinc par le cadmium dans le spinelle Zn~2~ Sn O~4~. Etude de la repartition des cations dans la solution solide Zn~2-2x~ Cd~2x~ Sn O~4~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","266","","543","545","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001191","8.88","0.01","8.88","0.01","8.88","0.01","90","","90","","90","","700.2","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Zinc cadmium tin(IV) oxide (1.2/.8/1/4)","","- Cd0.8 O4 Sn Zn1.2 -","- Cd0.8 O4 Sn Zn1.2 -","- Cd6.4 O32 Sn8 Zn9.6 -","8","0.0416667","","Choisnet, J; Deschanvres, A; Raveau, B","Substitution du zinc par le cadmium dans le spinelle Zn~2~ Sn O~4~. Etude de la repartition des cations dans la solution solide Zn~2-2x~ Cd~2x~ Sn O~4~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","266","","543","545","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001192","8.94","0.01","8.94","0.01","8.94","0.01","90","","90","","90","","714.5","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Zinc cadmium tin(IV) oxide","","- Cd O4 Sn Zn -","- Cd O4 Sn Zn -","- Cd8 O32 Sn8 Zn8 -","8","0.0416667","","Choisnet, J; Deschanvres, A; Raveau, B","Substitution du zinc par le cadmium dans le spinelle Zn~2~ Sn O~4~. Etude de la repartition des cations dans la solution solide Zn~2-2x~ Cd~2x~ Sn O~4~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","266","","543","545","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001193","8.98","0.01","8.98","0.01","8.98","0.01","90","","90","","90","","724.2","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Zinc cadmium tin(IV) oxide (.8/1.2/1/4)","","- Cd1.2 O4 Sn Zn0.8 -","- Cd1.2 O4 Sn Zn0.8 -","- Cd9.6 O32 Sn8 Zn6.4 -","8","0.0416667","","Choisnet, J; Deschanvres, A; Raveau, B","Substitution du zinc par le cadmium dans le spinelle Zn~2~ Sn O~4~. Etude de la repartition des cations dans la solution solide Zn~2-2x~ Cd~2x~ Sn O~4~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","266","","543","545","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001194","9.03","0.01","9.03","0.01","9.03","0.01","90","","90","","90","","736.3","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Zinc cadmium tin(IV) oxide (.5/1.5/1/4)","","- Cd1.5 O4 Sn Zn0.5 -","- Cd1.5 O4 Sn Zn0.5 -","- Cd12 O32 Sn8 Zn4 -","8","0.0416667","","Choisnet, J; Deschanvres, A","Substitution du zinc par le cadmium dans le spinelle Zn~2~ Sn O~4~. Etude de la repartition des cations dans la solution solide Zn~2-2x~ Cd~2x~ Sn O~4~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","266","","543","545","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001195","9.05","0.01","9.05","0.01","9.05","0.01","90","","90","","90","","741.2","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Zinc cadmium tin(IV) oxide (.4/1.6/1/4)","","- Cd1.6 O4 Sn Zn0.4 -","- Cd1.6 O4 Sn Zn0.4 -","- Cd12.8 O32 Sn8 Zn3.2 -","8","0.0416667","","Choisnet, J; Deschanvres, A; Raveau, B","Substitution du zinc par le cadmium dans le spinelle Zn~2~ Sn O~4~. Etude de la repartition des cations dans la solution solide Zn~2-2x~ Cd~2x~ Sn O~4~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","266","","543","545","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001196","5.005","0.001","5.005","0.001","10.452","0.002","90","","90","","90","","261.8","","","","","","","","","","","","","3","I -4 2 m","I -4 2","121","","Trizirconium germanium oxide","","- Ge O8 Zr3 -","- Ge O8 Zr3 -","- Ge2 O16 Zr6 -","2","0.125","","Ennaciri, A; Michel, D; Perez y Jorba, M; Pannetier, J","Neutron Diffraction Determination of the Structure of an Ordered Scheelite - Type: Zr~3~ Ge O~8~","Materials Research Bulletin","1984","19","","793","799","10.1016/0025-5408(84)90037-0","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001197","8.862","0.008","10.187","0.01","7.638","0.006","90","","90","","90","","689.5","","","","","","","","","","","","","4","P n c 2","P 2 -2bc","30","","Potassium copper tantalate","","- Cu K O9 Ta3 -","- Cu K O9 Ta3 -","- Cu4 K4 O36 Ta12 -","4","1","","Groult, D; Hervieu, M; Raveau, B","A Pentagonal Tunnel Structure with Copper in Square Planar Coordination: The Oxides K Cu Nb~3~ O~9~ and K Cu Ta~3~ O~9~","Journal of Solid State Chemistry","1984","53","","184","192","10.1016/0022-4596(84)90093-8","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001198","15.966","","15.966","","10.099","","90","","90","","90","","2574.4","","","","","","","","","","","","","3","I -4","I -4","82","","RUBIDIUM TUNGSTEN OXIDE (21.8/32.7/108)","","- O108 Rb21.79 W32.74 -","- O108 Rb21.788 W32.736 -","- O108 Rb21.788 W32.736 -","1","0.125","","Goreaud, M; Desgardin, G; Raveau, B","Le tungstate de rubidium Rb~20+x~ (W~4~ O~6~)~1/3-x/12~ W~32~ O~108~ : pyrochlore a reseau hote deficitaire","Journal of Solid State Chemistry","1979","27","","145","151","10.1016/0022-4596(79)90153-1","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001199","10.319","","10.319","","10.319","","90","","90","","90","","1098.8","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","TANTALUM TUNGSTEN OXIDE HYDRATE (1/1/5.5/.8)","","- H1.5 O6.25 Ta W -","- H3 O6.27 Ta W -","- H24 O50.16 Ta8 W8 -","8","0.0416667","","Groult, D; Michel, C; Raveau, B","Sur l'evolution thermique des pyrochlores d'hydroxonium et d'ammonium H~3~ O M W O~6~, H~4~ O M~2~ O~6~ et N H~4~ M W O~6~ (M = Nb, Ta)","Journal of Inorganic and Nuclear Chemistry","1974","36","","61","66","10.1016/0022-1902(74)80658-5","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001200","3.91","","3.91","","13","","90","","90","","90","","198.7","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Lead chloride oxide (4/2/4)","","- Cl2 O4 Pb4 -","- Cl2 O4 Pb4 -","- Cl2 O4 Pb4 -","1","0.03125","","Gasperin, M","Sur la synthese d'un oxychlorure de plomb","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1964","87","","278","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001201","6.407","","3.797","","14.918","","90","","90","","90","","362.9","","","","","","","","","","","","","4","P n m m :2","-P 2c 2bc","59","","Trititanium rubidium niobium oxide","","- Nb O9 Rb Ti3 -","- Nb O9 Rb Ti3 -","- Nb2 O18 Rb2 Ti6 -","2","0.25","","Hervieu, M; Desgardin, G; Raveau, B","Titanoniobates et Titanotantalates avec une structure a tunnels: les oxydes A Ti~3~ M O~9~ et (A~2~ Ti~6~ O~13~)~n~ * A Ti~3~ M O~9~","Annales de Chimie (Paris) (Vol=Year)","1979","1979","","339","346","","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001202","6.858","0.005","11.198","0.007","5.673","0.004","105.32","0.2","111.17","0.2","92.94","0.15","386.6","","","","","","","","","","","","","3","P -1","-P 1","2","","Lanthanum rhenium oxide (6/4/18)","","- La6 O18 Re4 -","- La6 O18 Re4 -","- La6 O18 Re4 -","1","0.5","","Besse, J P; Baud, G; Chevalier, R; Gasperin, M","Structure Cristalline d'Oxydes Doubles de Rhenium. II.L'Oxyde de Lanthane-Rhenium La~6~ Re~4~ O~18~","Acta Crystallographica B (24,1968-38,1982)","1978","34","","3532","3535","10.1107/S056774087801153X","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001203","7.393","0.001","7.393","0.001","7.393","0.001","90","","90","","90","","404.1","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Calcium tricopper tetratitanium oxide","","- Ca Cu3 O12 Ti4 -","- Ca Cu3 O12 Ti4 -","- Ca2 Cu6 O24 Ti8 -","2","0.0208333","","Deschanvres, A; Raveau, B; Tollemer, F","Remplacement de metal bivalent par le cuivre dans les titanates de type Perowskite","Bulletin de la Societe Chimique de France (Vol=Year)","1967","1967","","4077","4078","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001204","18.804","","18.804","","12.941","","90","","90","","90","","4575.8","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Lathanum strontium copper oxide (0.8/1.2/1/3.4)","","- Cu La0.74 O4 Sr1.2 -","- Cu La0.736 O4 Sr1.2 -","- Cu50 La36.8 O200 Sr60 -","50","1.5625","","Nguyen, N; Choisnet, J; Hervieu, M; Raveau, B","Oxygen Defect K~2~NiF~4~-Type Oxides: The Compounds La~2-x~Sr~x~CuO~4- x/2+d~","Journal of Solid State Chemistry","1981","39","","120","127","10.1016/0022-4596(81)90310-8","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001205","6.521","0.002","3.773","0.001","16.656","0.004","90","","90","","90","","409.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Hydrogen titanium niobium oxide","","- H Nb O5 Ti -","- H Nb O5 Ti -","- H4 Nb4 O20 Ti4 -","4","0.5","","Rebbah, A; Pannetier, J; Raveau, B","Localization of Hydrogen in the Layer Oxide H Ti Nb O~5~","Journal of Solid State Chemistry","1982","41","","57","62","10.1016/0022-4596(82)90034-2","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001206","6.534","0.003","3.777","0.001","16.675","0.009","90","","90","","90","","411.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Hydrogen titanium niobium oxide","","- H Nb O5 Ti -","- H Nb O5 Ti -","- H4 Nb4 O20 Ti4 -","4","0.5","","Rebbah, A; Pannetier, J; Raveau, B","Localization of Hydrogen in the Layer Oxide H Ti Nb O~5~","Journal of Solid State Chemistry","1982","41","","57","62","10.1016/0022-4596(82)90034-2","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001207","6.534","0.004","3.776","0.002","16.677","0.011","90","","90","","90","","411.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Deuterium titanium niobium oxide","","- D Nb O5 Ti -","- D Nb O5 Ti -","- D4 Nb4 O20 Ti4 -","4","0.5","","Rebbah, A; Pannetier, J; Raveau, B","Localization of Hydrogen in the Layer Oxide H Ti Nb O~5~","Journal of Solid State Chemistry","1982","41","","57","62","10.1016/0022-4596(82)90034-2","","","","","","0.119","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001208","8.903","0.003","21.16","0.02","3.799","0.002","90","","90","","90","","715.7","","","","","","","","","","","","","3","A m a m","-A 2 2a","63","","Potassium triniobium oxide","","- K Nb3 O8 -","- K Nb3 O8 -","- K4 Nb12 O32 -","4","0.25","","Gasperin, M","Structure du Triniobate(V) de Potassium K Nb~3~ O~8~, un Niobate Lamellaire","Acta Crystallographica B (24,1968-38,1982)","1982","38","","2024","2026","10.1107/S056774088200781X","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001209","5.285","0.002","6.569","0.001","17.351","0.003","90","","90","","90","","602.4","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Phosphorus tungsten oxide (4/8/32)","","- O32 P4 W8 -","- O32 P4 W8 -","- O32 P4 W8 -","1","0.25","","Giroult, J P; Goreaud, M; Labbe, P H; Raveau, B","P~4~ W~8~ O~32~: A mixed-valence tunnel structure built up of Re O~3~ - type slabs connected through P O~4~ tetrahedra","Acta Crystallographica B (24,1968-38,1982)","1981","37","","2139","2142","10.1107/S0567740881008248","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001210","9.9509","0.0007","9.9509","0.0007","11.2393","0.0007","90","","90","","120","","963.8","","","","","","","","","","","","","5","P 3","P 3","143","","Cadmium dinickel chloride dodecahydrate","","- Cd Cl6 H24 Ni2 O12 -","- Cd Cl6 H24 Ni2 O12 -","- Cd2 Cl12 H48 Ni4 O24 -","2","0.666667","","Leclaire, A; Borel, M M","Structure de l'Hexachlorure de Cadmium et de Dinckel Dodecahydrate","Acta Crystallographica B (24,1968-38,1982)","1982","38","","234","236","10.1107/S0567740882002441","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001211","10.4372","0.0006","10.4372","0.0006","10.4372","0.0006","90","","90","","90","","1137","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","TANTALUM TUNGSTEN OXIDE (1/1/5.5)","","- O5.5 Ta W -","- O5.5002 Ta W -","- O44.0016 Ta8 W8 -","8","0.0416667","","Groult, D; Pannetier; Raveau, B","Neutron diffraction study of the defect pyrochlores Ta W O~5.5~, H Ta W O~6~, H~2~ Ta~2~ O~6~, and H Ta W O~6~*H~2~ O","Journal of Solid State Chemistry","1982","41","","277","285","10.1016/0022-4596(82)90147-5","","","","","","0.0822","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001212","10.4438","0.0005","10.4438","0.0005","10.4438","0.0005","90","","90","","90","","1139.1","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Hydrogen tantalum hexaoxotungstate","","- H O6 Ta W -","- H1.0002 O6 Ta W -","- H8.0016 O48 Ta8 W8 -","8","0.0416667","","Groult, D; Pannetier; Raveau, B","Neutron diffraction study of the defect pyrochlores Ta W O~5.5~, H Ta W O~6~, H~2~ Ta~2~ O~6~, and H Ta W O~6~*H~2~ O","Journal of Solid State Chemistry","1982","41","","277","285","10.1016/0022-4596(82)90147-5","","","","","","0.0638","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001213","10.4443","0.0006","10.4443","0.0006","10.4443","0.0006","90","","90","","90","","1139.3","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Hydrogen tantalum hexaoxotungstate","","- H O6 Ta W -","- H1.0002 O6 Ta W -","- H8.0016 O48 Ta8 W8 -","8","0.0416667","","Groult, D; Pannetier; Raveau, B","Neutron diffraction study of the defect pyrochlores Ta W O~5.5~, H Ta W O~6~, H~2~ Ta~2~ O~6~, and H Ta W O~6~*H~2~ O","Journal of Solid State Chemistry","1982","41","","277","285","10.1016/0022-4596(82)90147-5","","","","","","0.0642","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001214","10.4425","0.0006","10.4425","0.0006","10.4425","0.0006","90","","90","","90","","1138.7","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Deuterium tantalum hexaoxotungstate","","- D O6 Ta W -","- D1.0002 O6 Ta W -","- D8.0016 O48 Ta8 W8 -","8","0.0416667","","Groult, D; Pannetier; Raveau, B","Neutron diffraction study of the defect pyrochlores Ta W O~5.5~, H Ta W O~6~, H~2~ Ta~2~ O~6~, and H Ta W O~6~*H~2~ O","Journal of Solid State Chemistry","1982","41","","277","285","10.1016/0022-4596(82)90147-5","","","","","","0.0813","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001215","10.4421","0.0012","10.4421","0.0012","10.4421","0.0012","90","","90","","90","","1138.6","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Deuterium hydrogen tantalum hexaoxotungstate (.8/.2/1/1)","","- D1.8 H0.2 O6 Ta W -","- D0.7998 H0.1998 O6 Ta W -","- D6.3984 H1.5984 O48 Ta8 W8 -","8","0.0416667","","Groult, D; Pannetier; Raveau, B","Neutron diffraction study of the defect pyrochlores Ta W O~5.5~, H Ta W O~6~, H~2~ Ta~2~ O~6~, and H Ta W O~6~*H~2~ O","Journal of Solid State Chemistry","1982","41","","277","285","10.1016/0022-4596(82)90147-5","","","","","","0.0745","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001216","10.6032","0.0006","10.6032","0.0006","10.6032","0.0006","90","","90","","90","","1192.1","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Dihydrogen ditantalum oxide","","- H2 O6 Ta2 -","- H1.9998 O6 Ta2 -","- H15.9984 O48 Ta16 -","8","0.0416667","","Groult, D; Pannetier; Raveau, B","Neutron diffraction study of the defect pyrochlores Ta W O~5.5~, H Ta W O~6~, H~2~ Ta~2~ O~6~, and H Ta W O~6~*H~2~ O","Journal of Solid State Chemistry","1982","41","","277","285","10.1016/0022-4596(82)90147-5","","","","","","0.0872","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001217","10.6106","0.0006","10.6106","0.0006","10.6106","0.0006","90","","90","","90","","1194.6","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Deuterium hydrogen tantalum oxide (.4/1.6/2/6)","","- D1.4 H1.6 O6 Ta2 -","- D0.4002 H1.6002 O6 Ta2 -","- D3.2016 H12.8016 O48 Ta16 -","8","0.0416667","","Groult, D; Pannetier; Raveau, B","Neutron diffraction study of the defect pyrochlores Ta W O~5.5~, H Ta W O~6~, H~2~ Ta~2~ O~6~, and H Ta W O~6~*H~2~ O","Journal of Solid State Chemistry","1982","41","","277","285","10.1016/0022-4596(82)90147-5","","","","","","0.0851","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001218","28.11","0.01","7.503","0.004","7.548","0.005","90","","90","","90","","1591.9","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Rubidium tricopper heptatantalum oxide","","- Cu3 O21 Rb Ta7 -","- Cu3 O21 Rb Ta7 -","- Cu12 O84 Rb4 Ta28 -","4","0.25","","Benmoussa, A; Groult, D; Studer, F; Raveau, B","Intergrowth of Hexagonal Tungsten Bronze and Perovskite-like Structures: The Oxides A Cu~3~ M~7~ O~21~ (A = K, Rb, Cs, Tl; M = Nb, Ta)","Journal of Solid State Chemistry","1982","41","","221","226","10.1016/0022-4596(82)90205-5","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001219","3.066","0.001","5.066","0.001","9.874","0.002","90","","90","","90","","153.4","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Lithium iron(III) tin(IV) oxide - high-temperature phase","","- Fe Li O4 Sn -","- Fe Li O4 Sn -","- Fe2 Li2 O8 Sn2 -","2","0.25","","Choisnet, J; Hervieu, M; Raveau, B; Tarte, P","Two Polymorphous Lithium Stannoferrites Li Fe Sn O~4~: A Ramsdellite- Type and a Hexagonal Close-Packed Structure","Journal of Solid State Chemistry","1981","40","","344","351","10.1016/0022-4596(81)90401-1","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001220","6.012","0.001","6.012","0.001","9.776","0.002","90","","90","","120","","306","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Lithium iron(III) tin(IV) oxide - low-temperature phase","","- Fe Li O4 Sn -","- Fe Li0.999 O4 Sn0.9995 -","- Fe4 Li3.996 O16 Sn3.998 -","4","0.333333","","Choisnet, J; Hervieu, M; Raveau, B; Tarte, P","Two Polymorphous Lithium Stannoferrites Li Fe Sn O~4~: A Ramsdellite- Type and a Hexagonal Close-Packed Structure","Journal of Solid State Chemistry","1981","40","","344","351","10.1016/0022-4596(81)90401-1","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001221","7.132","0.002","12.181","0.002","5.658","0.002","90","","90","","90","","491.5","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","DIYTTRIUM BARIUM COPPER OXIDE","","- Ba Cu O5 Y2 -","- Ba Cu O5 Y2 -","- Ba4 Cu4 O20 Y8 -","4","0.5","","Michel, C.; Raveau, B.","Les oxydes A~2~ Ba Cu O~5~ (A = Y,Sm,Eu,Gd,Dy,Ho,Er,Yb)","Journal of Solid State Chemistry","1982","43","1","73","80","10.1016/0022-4596(82)90216-X","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","134369","2020-10-21","18:00:00",""
"1001222","7.226","0.002","12.321","0.002","5.724","0.002","90","","90","","90","","509.6","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","DIGADOLINIUM BARIUM COPPER OXIDE","","- Ba Cu Gd2 O5 -","- Ba Cu Gd2 O5 -","- Ba4 Cu4 Gd8 O20 -","4","0.5","","Mechel, C; Raveau, B","Les oxydes A~2~ Ba Cu O~5~ (A = Y,Sm,Eu,Gd,Dy,Ho,Er,Yb)","Journal of Solid State Chemistry","1982","43","","73","80","10.1016/0022-4596(82)90216-X","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001223","10.54","","10.54","","10.54","","90","","90","","90","","1170.9","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Lead titanium tantalum oxide (1.2/0.4/1.6/6)","","- O6 Pb1.2 Ta1.6 Ti0.4 -","- O6 Pb1.2 Ta1.6 Ti0.4 -","- O48 Pb9.6 Ta12.8 Ti3.2 -","8","0.0416667","","Desgardin, G; Hervieu, M; Raveau, B","Contribution a l'etude structurale du compose Pb~2-x~ (Ti,Ta)~2~ O~7-x~ de type pyrochlore","Revue de Chimie Minerale","1971","8","","139","143","","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001224","9.312","0.001","5.755","0.001","5.105","0.001","90","","90","","90","","273.6","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Digermanium dinitride oxide","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Jorgensen, J D; Srinivasa, S R; Labbe, J C; Roult, G","Time-of-flight neutron diffraction study of germanium nitride oxide, Ge~2~ N~2~ O","Acta Crystallographica B (24,1968-38,1982)","1979","35","","141","142","10.1107/S0567740879002752","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001225","15.723","0.004","3.764","0.003","17.118","0.004","90","","113.42","0.02","90","","929.6","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","RUBIDIUM PHOSPHORUS TUNGSTEN OXIDE (1.74/8/28/100)","","- O50 P4 Rb0.87 W14 -","- O50 P4 Rb0.88 W14 -","- O50 P4 Rb0.88 W14 -","1","0.25","","Giroult, J P; Goreaud, M; Labbe, P; Raveau, B","Bronzes with a tunnel structure Rb~x~ P~8~ W~8n~ O~(24n+16)~. III. Rb~x~ P~8~ W~28~ O~100~: A member corresponding to a non-integral n value n=~3.5~","Acta Crystallographica B (24,1968-38,1982)","1982","38","","2342","2347","10.1107/S0567740882008759","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001226","9.802","","9.802","","13.004","","90","","90","","120","","1082","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","SODIUM IRON TRINEPTUNIUM(IV) FLUORIDE","","- F15 Fe Na Np3 -","- F15 Fe Na Np3 -","- F60 Fe4 Na4 Np12 -","4","0.333333","","Cousson, A; Abazli, H; Pages, M; Gasperin, M","Structure de Na Fe Np~3~ F~15~","Acta Crystallographica B (24,1968-38,1982)","1982","38","","2668","2670","10.1107/S0567740882009546","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001227","5.796","0.002","5.796","0.002","9.466","0.005","90","","90","","120","","275.4","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","DILITHIUM DICHROMIUM ALUMINIUM ANTIMONY(V) OXIDE","","- Al Cr2 Li2 O8 Sb -","- Al0.9999 Cr2.0001 Li2 O8 Sb -","- Al1.9998 Cr4.0002 Li4 O16 Sb2 -","2","0.166667","","Tarte, P; Cahay, R; Preudhomme, J; Hervieu, M; Choisnet, J; Raveau, B","Hexagonal-spinel transitions in antimonates Li~2~ Cr(~3-x~) M(III)~x~ Sb O~8~","Journal of Solid State Chemistry","1982","44","","282","289","10.1016/0022-4596(82)90375-9","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001228","5.703","0.002","5.703","0.002","9.392","0.005","90","","90","","120","","264.5","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","DILITHIUM CHROMIUM DIALUMINIUM ANTIMONY(V) OXIDE","","- Al2 Cr Li2 O8 Sb -","- Al2.0001 Cr0.9999 Li2 O8 Sb -","- Al4.0002 Cr1.9998 Li4 O16 Sb2 -","2","0.166667","","Tarte, P; Cahay, R; Preudhomme, J; Hervieu, M; Choisnet, J; Raveau, B","Hexagonal-spinel transitions in antimonates Li~2~ Cr(~3-x~) M(III)~x~ Sb O~8~","Journal of Solid State Chemistry","1982","44","","282","289","10.1016/0022-4596(82)90375-9","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001229","5.867","0.002","5.867","0.002","9.542","0.005","90","","90","","120","","284.4","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","DILITHIUM DICHROMIUM IRON(III) ANTIMONY(V) OXIDE","","- Cr2 Fe Li2 O8 Sb -","- Cr2.0001 Fe0.9999 Li2 O8 Sb -","- Cr4.0002 Fe1.9998 Li4 O16 Sb2 -","2","0.166667","","Tarte, P; Cahay, R; Preudhomme, J; Hervieu, M; Choisnet, J; Raveau, B","Hexagonal-spinel transitions in antimonates Li~2~ Cr(~3-x~) M(III)~x~ Sb O~8~","Journal of Solid State Chemistry","1982","44","","282","289","10.1016/0022-4596(82)90375-9","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001230","5.923","0.002","5.923","0.002","9.641","0.005","90","","90","","120","","292.9","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","DILITHIUM TRIIRON(III) ANTIMONY(V) OXIDE","","- Fe3 Li2 O8 Sb -","- Fe3 Li2 O8 Sb -","- Fe6 Li4 O16 Sb2 -","2","0.166667","","Tarte, P; Cahay, R; Preudhomme, J; Hervieu, M; Choisnet, J; Raveau, B","Hexagonal-spinel transitions in antimonates Li~2~ Cr(~3-x~) M(III)~x~ Sb O~8~","Journal of Solid State Chemistry","1982","44","","282","289","10.1016/0022-4596(82)90375-9","","","","","","0.091","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001231","8.398","0.004","8.398","0.004","8.398","0.004","90","","90","","90","","592.3","","","","","","","","","","","","","5","F d -3 m :1","F 4d 2 3 -1d","227","","DILITHIUM DICHROMIUM IRON(III) ANTIMONY(V) OXIDE","","- Cr2 Fe Li2 O8 Sb -","- Cr1.9998 Fe1.0002 Li1.9998 O8 Sb1.0002 -","- Cr7.9992 Fe4.0008 Li7.9992 O32 Sb4.0008 -","4","0.0208333","","Tarte, P; Cahay, R; Preudhomme, J; Hervieu, M; Choisnet, J; Raveau, B","Hexagonal-spinel transitions in antimonates Li~2~ Cr(~3-x~) M(III)~x~ Sb O~8~","Journal of Solid State Chemistry","1982","44","","282","289","10.1016/0022-4596(82)90375-9","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001232","8.425","0.004","8.425","0.004","8.425","0.004","90","","90","","90","","598","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","DILITHIUM TRIIRON(III) ANTIMONY(V) OXIDE","","- Fe3 Li2 O8 Sb -","- Fe3 Li1.9998 O8 Sb1.0002 -","- Fe12 Li7.9992 O32 Sb4.0008 -","4","0.0208333","","Tarte, P; Cahay, R; Preudhomme, J; Hervieu, M; Choisnet, J; Raveau, B","Hexagonal-spinel transitions in antimonates Li~2~ Cr(~3-x~) M(III)~x~ Sb O~8~","Journal of Solid State Chemistry","1982","44","","282","289","10.1016/0022-4596(82)90375-9","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001233","6.6702","0.0005","5.3228","0.0008","8.9091","0.0008","90","","100.546","0.007","90","","311","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Potassium phosphorus tungsten oxide (.4/2/4/16)","","- K0.4 O16 P2 W4 -","- K0.42 O16 P2 W4 -","- K0.42 O16 P2 W4 -","1","0.25","","Giroult, J P; Goreaud, M; Labbe, P; Raveau, B","K~x~ P~2~ W~2~ O~16~: A Bronze with a Tunnel Structure Built up from P O~4~ Tetrahedra and W O~6~ Octahedra","Journal of Solid State Chemistry","1982","44","","407","414","10.1016/0022-4596(82)90389-9","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001234","6.5656","0.0025","5.285","0.0015","20.573","0.015","90","","96.18","0.04","90","","709.7","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Phosphorus tungsten oxide (4/10/38)","","- O38 P4 W10 -","- O38 P4 W10 -","- O38 P4 W10 -","1","0.5","","Benmoussa, A; Labbe, P; Groult, D; Raveau, B","Mixed Valence Tungsten Oxides with a Tunnel Structure, P~4~ W~4n~ O~12n+8~: A Nonintegral Member P~4~ W~10~ O~38~ (n=2.5)","Journal of Solid State Chemistry","1982","44","","318","325","10.1016/0022-4596(82)90379-6","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001235","6.611","0.004","8.88","0.008","30.154","0.018","90","","90","","90","","1770.2","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Potassium hexatitanium pentaniobium oxide","","- K Nb5 O25 Ti6 -","- K Nb5 O25 Ti6 -","- K4 Nb20 O100 Ti24 -","4","0.25","","Groult, D; Raveau, B","K Ti~6~ Nb~5~ O~25~: A member of a series of chemically twinned Rutile oxides (A M~3~ O~9~)(M~2~ O~4~)~n~","Materials Research Bulletin","1983","18","","141","146","10.1016/0025-5408(83)90074-0","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001236","10.7433","0.0016","14.0839","0.0009","8.8519","0.0007","90","","126.42","0.01","90","","1077.8","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetrapotassium 52-oxo-octamolybdo(V)dodecaphosphate","","- K4 Mo8 O52 P12 -","- K4 Mo8 O52 P12 -","- K4 Mo8 O52 P12 -","1","0.125","","Leclaire, A; Monier, J C; Raveau, B","K~4~ Mo~8~ P~12~ O~52~, A Tunnel Structure Characterized by an Unusual Valence of Molybdenum","Journal of Solid State Chemistry","1983","48","","147","153","10.1016/0022-4596(83)90069-5","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001237","16.194","0.003","3.7719","0.0004","17.095","0.004","90","","93.89","0.02","90","","1041.8","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Rubidium phosphorus tungsten oxide (.8/4/16/56)","","- O56 P4 Rb0.8 W16 -","- O56 P4 Rb0.8 W16 -","- O56 P4 Rb0.8 W16 -","1","0.25","","Giroult, J P; Goreaud, M; Labbe, P; Raveau, B","Rb~x~ P~8~ W~32~ O~112~: A Tunnel Structure Built up from Re O~3~-Type Blocks and P~2~ O~7~ Groups","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2570","2575","10.1107/S0567740880009466","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001238","7.7523","0.0002","7.7523","0.0002","5.6198","0.0002","90","","90","","120","","292.5","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Silicon nitride - $-alpha","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001239","7.766","0.0002","7.766","0.0002","5.6297","0.0003","90","","90","","120","","294","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Silicon nitride - $-alpha","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001240","7.7696","0.0002","7.7696","0.0002","5.6318","0.0003","90","","90","","120","","294.4","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Silicon nitride - $-alpha","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001241","7.7809","0.0003","7.7809","0.0003","5.6407","0.0004","90","","90","","120","","295.7","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Silicon nitride - $-alpha","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001242","7.7853","0.0004","7.7853","0.0004","5.6431","0.0005","90","","90","","120","","296.2","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Silicon nitride - $-alpha","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001243","7.791","0.0004","7.791","0.0004","5.6492","0.0005","90","","90","","120","","297","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Silicon nitride - $-alpha","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001244","7.6018","0.0004","7.6018","0.0004","2.9066","0.0002","90","","90","","120","","145.5","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Silicon nitride - $-beta","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.166667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001245","7.614","0.0004","7.614","0.0004","2.9123","0.0002","90","","90","","120","","146.2","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Silicon nitride - $-beta","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.166667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001246","7.617","0.0004","7.617","0.0004","2.9134","0.0002","90","","90","","120","","146.4","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Silicon nitride - $-beta","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.166667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001247","7.6272","0.0006","7.6272","0.0006","2.9182","0.0003","90","","90","","120","","147","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Silicon nitride - $-beta","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.166667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001248","7.6322","0.0006","7.6322","0.0006","2.9191","0.0004","90","","90","","120","","147.3","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Silicon nitride - $-beta","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.166667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001249","7.6374","0.0007","7.6374","0.0007","2.922","0.0004","90","","90","","120","","147.6","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Silicon nitride - $-beta","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.166667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001250","7.068","0.003","12.324","0.004","5.706","0.002","90","","90","","90","","497","","","","","","","","","","","","Synthetic","4","P b n m","-P 2c 2ab","62","","Diyttrium barium zinc oxide","","- Ba O5 Y2 Zn -","- Ba O5 Y2 Zn -","- Ba4 O20 Y8 Zn4 -","4","0.5","","Michel, C; Raveau, B","Ln~2~ Ba Zn O~5~ and Ln~2~ Ba Zn~1-X~ Cu~X~ O~5~: A Series of Zinc Oxides with Zinc in a Pyramidal Coordination","Journal of Solid State Chemistry","1983","49","","150","156","10.1016/0022-4596(83)90108-1","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1001251","9.84","","5.81","","20.65","","90","","90","0","90","","1180.6","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Barium discandium oxide","","- Ba O4 Sc2 -","- Ba O4 Sc2 -","- Ba12 O48 Sc24 -","12","1.5","","Agafonov, V; Kahn, A; Michel, D; Guymont, M","Crystal structure of Ba Sc~2~ O~4~; its relation with Perovskite","Materials Research Bulletin","1983","18","","975","981","10.1016/0025-5408(83)90009-0","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001252","6.66","0.002","5.3483","0.0003","27.06","0.05","90","","97.2","0.02","90","","956.3","","","","","","","","","","","","","4","A 1 2/m 1","-A 2y","12","","Potassium phosphorus tungsten oxide (1.4/4/14/50)","","- K1.4 O50 P4 W14 -","- K1.4 O50 P4 W14 -","- K1.4 O50 P4 W14 -","1","0.125","","Domenges, B; Goreaud, M; Labbe, P; Raveau, B","K~1.4~ P~4~ W~14~ O~50~: An Odd-m Member (m=7) of the Monophosphate Tungsten Bronze Series K~x~ P~4~ O~8~ (W O~3~)~2m~","Journal of Solid State Chemistry","1983","50","","173","179","10.1016/0022-4596(83)90185-8","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001253","13.201","0.015","7.813","0.004","12.2","0.08","90","","108.72","","90","","1191.7","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Pentamminecarbamatocobalt(III) nitrate","","- C H17 Co N8 O8 -","- C H17 Co N8 O8 -","- C4 H68 Co4 N32 O32 -","4","1","","Bernard, M A; Borel, M M; Grandin, A; Leclaire, A","Mise en evidence du ligand carbamato synthetise en milieu aqueux. Structure de Co (O C O N H~2~) (N H~3~)~5~ (N O~3~)~2~","Revue de Chimie Minerale","1979","16","","477","484","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1001254","37.6093","0.0099","6.9222","0.0003","6.9234","0.0012","91.456","0.013","90.728","0.017","95.15","0.016","1794.4","","","","","","","","","","","","","3","P -1","-P 1","2","","Dineodymium digermanate","","- Ge2 Nd2 O7 -","- Ge2 Nd2 O7 -","- Ge24 Nd24 O84 -","12","6","","Vetter, G; Queyroux, F; Labbe, P; Goreaud, M","Determination structurale de Nd~2~ Ge~2~ O~7~","Journal of Solid State Chemistry","1982","45","","293","302","10.1016/0022-4596(82)90174-8","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001255","18.315","0.003","24.506","0.004","7.296","0.002","90","","90","","90","","3274.6","","","","","","","","","","","","","3","A m a m","-A 2 2a","63","","Caesium niobium oxide (3/5.96/16.4)","","- Cs3 Nb5.96 O16.4 -","- Cs3 Nb5.96 O16.4 -","- Cs24 Nb47.68 O131.2 -","8","0.5","","Saine, M C; Gasperin, M","Synthese et Structure d'un Niobate de Cesium non Stoechiometrique, Cs~3~ Nb~5.96~ O~16.4~","Acta Crystallographica C (39,1983-)","1983","39","","1153","1156","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001256","12.25","","12.25","","3.83","","90","","90","","90","","574.7","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Tin tungsten oxide (.3/1/3)","","- O3 Sn0.3 W -","- O3 Sn0.26 W -","- O30 Sn2.6 W10 -","10","0.625","","Goreaud, M; Labbe, P; Monfort, Y; Raveau, B","Comportement de Sn(II) dans les bronzes quadratiques de tungstene. Surstructure de Sn~.3~ W O~3~","Revue de Chimie Minerale","1980","17","","79","87","","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001257","12.425","0.008","7.511","0.005","5.653","0.005","90","","90","","107.8","0.2","502.3","","","","","","","","","","","","","3","P 1 1 21/m","-P 2c","11","","Dysprosium hexaoxorhenate(IV) hexaoxorhenate(V)","","- Dy5 O12 Re2 -","- Dy5 O12 Re2 -","- Dy10 O24 Re4 -","2","0.5","","Baud, G; Besse, J P; Chevalier, R; Gasperin, M","Synthese et etude structurale de l'oxyde double Dy~5~ Re~2~ O~12~","Materials Chemistry and Physics","1983","8","","93","99","10.1016/0254-0584(83)90042-1","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001258","5.574","","5.574","","22.008","","90","","90","","120","","592.2","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Lanthanum manganese undecaaluminium oxide","","- Al11 La Mn O19 -","- Al11 La0.99 Mn O19 -","- Al22 La1.98 Mn2 O38 -","2","0.0833333","","Gasperin, M; Saine, M C; Kahn, A; LaVille, F; Lejus, A M","Influence of M^2+^ ions substitution on the structure of lanthanum hexaaluminates with magnetoplumbite structure","Journal of Solid State Chemistry","1984","54","","61","69","10.1016/0022-4596(84)90131-2","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001259","5.577","","5.577","","22.003","","90","","90","","120","","592.7","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Lanthanum aluminium oxide (.9/11.9/18.9)","","- Al11.95 La0.9 O18.9 -","- Al11.88 La0.9 O19 -","- Al23.76 La1.8 O38 -","2","0.0833333","","Gasperin, M; Saine, M C; LaVille, F; Lejus, A M; Kahn, A","Influence of M^2+^ ions substitution on the structure of lanthanum hexaaluminates with magnetoplumbite structure","Journal of Solid State Chemistry","1984","54","","61","69","10.1016/0022-4596(84)90131-2","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001260","5.55","","5.55","","22.021","","90","","90","","120","","587.4","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Lanthanum aluminium oxide (.9/11.5/18.5)","","- Al11.5 La0.85 O18.5 -","- Al11.54 La0.83 O18.52 -","- Al23.08 La1.66 O37.04 -","2","0.0833333","","Gasperin, M; Saine, M C; LaVille, F; Lejus, A M; Kahn, A","Influence of M^2+^ ions substitution on the structure of lanthanum hexaaluminates with magnetoplumbite structure","Journal of Solid State Chemistry","1984","54","","61","69","10.1016/0022-4596(84)90131-2","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001261","5.55","","5.55","","22.031","","90","","90","","120","","587.7","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Lanthanum aluminium oxide (.9/11.6/18.6)","","- Al11.55 La0.85 O18.6 -","- Al11.532 La0.85 O18.622 -","- Al23.064 La1.7 O37.244 -","2","0.0833333","","Gasperin, M; Saine, M C; LaVille, F; Lejus, A M; Kahn, A","Influence of M^2+^ ions substitution on the structure of lanthanum hexaaluminates with magnetoplumbite structure","Journal of Solid State Chemistry","1984","54","","61","69","10.1016/0022-4596(84)90131-2","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001262","8.361","","8.361","","8.361","","90","","90","","90","","584.5","","","","","","","","","","","","","4","","","","","Cobalt nickel vanadium oxide (1/1/1/4)","","- Co Ni O4 V -","","","","","","Bernier, J C; Poix, P; Michel, A","Etude cristallographique et magnetique de la solution solide V O~4~ Co~2-2X~ Ni~2X~.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1962","254","","2351","2353","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1001263","10.443","0.005","10.443","0.005","10.443","0.005","90","","90","","90","","1138.9","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cadmium niobate hydrate","","- Cd H2 Nb2 O7 -","- Cd H2 Nb2 O7 -","- Cd8 H16 Nb16 O56 -","8","0.0416667","","Groult, D; Michel, C; Raveau, B","Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions","Journal of Inorganic and Nuclear Chemistry","1975","37","","2203","2205","10.1016/0022-1902(75)80857-8","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001264","10.512","0.005","10.512","0.005","10.512","0.005","90","","90","","90","","1161.6","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Calcium hydrogen niobium oxide hydrate (0.4/1.2/2/6/1)","","- Ca0.4 H3.2 Nb2 O7 -","- Ca0.4 H9.4 Nb2 O7 -","- Ca3.2 H75.2 Nb16 O56 -","8","0.0416667","","Groult, D; Michel, C; Raveau, B","Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions","Journal of Inorganic and Nuclear Chemistry","1975","37","","2203","2205","10.1016/0022-1902(75)80857-8","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001265","10.56","0.005","10.56","0.005","10.56","0.005","90","","90","","90","","1177.6","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Strontium hydrogen niobium oxide hydrate (0.4/1.2/2/6/1)","","- H3.2 Nb2 O7 Sr0.4 -","- H9.4 Nb2 O7 Sr0.4 -","- H75.2 Nb16 O56 Sr3.2 -","8","0.0416667","","Groult, D; Michel, C; Raveau, B","Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions","Journal of Inorganic and Nuclear Chemistry","1975","37","","2203","2205","10.1016/0022-1902(75)80857-8","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001266","10.433","0.005","10.433","0.005","10.433","0.005","90","","90","","90","","1135.6","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cadmium tantalate hydrate","","- Cd H2 O7 Ta2 -","- Cd H2 O7 Ta2 -","- Cd8 H16 O56 Ta16 -","8","0.0416667","","Groult, D; Michel, C; Raveau, B","Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions","Journal of Inorganic and Nuclear Chemistry","1975","37","","2203","2205","10.1016/0022-1902(75)80857-8","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001267","10.478","0.005","10.478","0.005","10.478","0.005","90","","90","","90","","1150.4","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Calcium hydrogen tantalum oxide hydrate (0.5/1/2/6/1)","","- Ca0.5 H3 O7 Ta2 -","- Ca0.5 H3 O7 Ta2 -","- Ca4 H24 O56 Ta16 -","8","0.0416667","","Groult, D; Michel, C; Raveau, B","Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions","Journal of Inorganic and Nuclear Chemistry","1975","37","","2203","2205","10.1016/0022-1902(75)80857-8","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001268","10.554","0.005","10.554","0.005","10.554","0.005","90","","90","","90","","1175.6","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Strontium hydrogen tantalum oxide hydrate (0.25/1.5/2/6/1)","","- H3.5 O7 Sr0.25 Ta2 -","- H10 O7 Sr0.25 Ta2 -","- H80 O56 Sr2 Ta16 -","8","0.0416667","","Groult, D; Michel, C; Raveau, B","Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions","Journal of Inorganic and Nuclear Chemistry","1975","37","","2203","2205","10.1016/0022-1902(75)80857-8","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001269","10","0.003","9.959","0.003","7.315","0.002","90","","111.29","0.02","90","","678.8","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dibarium trititanium tetraniobium oxide","","- Ba2 Nb4 O18 Ti3 -","- Ba2 Nb4 O18 Ti3 -","- Ba4 Nb8 O36 Ti6 -","2","0.5","","Gasperin, M","Syntheses and Structure of a New Titanoniobate: The Trititanotetraniobate of Dibarium, Ba~2~ Ti~3~ Nb~4~ O~18~","Acta Crystallographica C (39,1983-)","1984","40","","9","11","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001270","20.351","0.003","3.801","0.002","11.882","0.002","90","","120.19","0.01","90","","794.5","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Titanium diniobium oxide","","- Nb2 O7 Ti -","- Nb2.0001 O7 Ti0.9999 -","- Nb12.0006 O42 Ti5.9994 -","6","0.75","","Gasperin, M","Affinement de la structure de Ti Nb~2~ O~7~ et repartition des cations","Journal of Solid State Chemistry","1984","53","","144","147","10.1016/0022-4596(84)90238-X","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001271","17.788","0.011","5.277","0.004","6.607","0.005","90","","99.64","0.05","90","","611.4","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Sodium tungstate phosphate *","","- Na1.5 O32 P4 W8 -","- Na1.5 O32 P4 W8 -","- Na1.5 O32 P4 W8 -","1","0.25","","Benmmoussa, A; Groult, D; Labbe, Ph; Raveau, B","Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten Bronzes Na~x~ P~4~ O~8~ (W O~3~)~2m~: Na~x~ P~4~ W~8~ O~32~ (m=4) and Na~x~ P~4~ W~12~ O~44~ (m=6)","Acta Crystallographica C (39,1983-)","1984","40","","573","576","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001272","23.775","0.017","5.291","0.001","6.588","0.002","90","","93.47","0.04","90","","827.2","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Sodium tungstate phosphate *","","- Na1.7 O44 P4 W12 -","- Na1.7 O44 P4 W12 -","- Na1.7 O44 P4 W12 -","1","0.25","","Benmmoussa, A; Groult, D; Labbe, Ph; Raveau, B","Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten Bronzes Na~x~ P~4~ O~8~ (W O~3~)~2m~: Na~x~ P~4~ W~8~ O~32~ (m=4) and Na~x~ P~4~ W~12~ O~44~ (m=6)","Acta Crystallographica C (39,1983-)","1984","40","","573","576","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001273","8.859","0.003","10.039","0.008","3.808","0.002","90","","90","","90","","338.7","","","","","","","","","","","","","3","P b m m","-P 2 2b","51","","Barium tungsten oxide (0.15/1/3)","","- Ba0.15 O3 W -","- Ba0.15 O3 W -","- Ba0.9 O18 W6 -","6","0.75","","Michel, C; Hervieu, M; Tilley, R J D; Raveau, B","Ba~.15~ W O~3~: A Bronze with an Original Pentagonal Tunnel Structure","Journal of Solid State Chemistry","1984","52","","281","291","10.1016/0022-4596(84)90011-2","","","","","","0.43","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001274","9.047","","9.047","","7.81","","90","","90","","120","","553.6","","","","","","","","","","","","","5","P -6 2 m","P -6 -2","189","","POTASSIUM BARIUM SILICOTANTALATE *","","- Ba K4 O26 Si4 Ta6 -","- Ba0.9999 K4.0002 O26 Si4 Ta6 -","- Ba0.9999 K4.0002 O26 Si4 Ta6 -","1","0.0833333","","Choisnet, J; Nguyen, N; Raveau, B","Silicotantalates et siliconiobates non-stoechiometriques: les composes K~6-2x~ Ba~x~ Ta~6~ Si~4~ O~26~ (0<x<3) et K~8~ M~14~ Si~4~ O~47~ (M = Ta, Nb)","Materials Research Bulletin","1977","12","","91","96","10.1016/0025-5408(77)90093-9","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001275","9.035","","9.035","","7.79","","90","","90","","120","","550.7","","","","","","","","","","","","","5","P -6 2 m","P -6 -2","189","","POTASSIUM BARIUM SILICOTANTALATE *","","- Ba1.5 K3 O26 Si4 Ta6 -","- Ba1.5 K3 O26 Si4 Ta6 -","- Ba1.5 K3 O26 Si4 Ta6 -","1","0.0833333","","Choisnet, J; Nguyen, N; Raveau, B","Silicotantalates et siliconiobates non-stoechiometriques: les composes K~6-2x~ Ba~x~ Ta~6~ Si~4~ O~26~ (0<x<3) et K~8~ M~14~ Si~4~ O~47~ (M = Ta, Nb)","Materials Research Bulletin","1977","12","","91","96","10.1016/0025-5408(77)90093-9","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001276","9.112","0.005","9.112","0.005","20.01","0.01","90","","90","","120","","1438.8","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Pentapotassium undecaniobium digermanium oxide","","- Ge4 K10 Nb22 O68 -","- Ge4 K9.996 Nb22 O68 -","- Ge4 K9.996 Nb22 O68 -","1","0.0833333","","Choisnet, J; Hervieu, M; Groult, D; Raveau, B","Nouvelles phases multiples obtenues par intercroissance des reseaux ""M~6~X~4~O~26~"" et ""M~8~O~21~"": les oxydes K~10~ (M~8~ O~21~)~2~ * M~6~ X~4~ O~26~ (M=Nb,Ta)(X=Ge,Si)","Materials Research Bulletin","1977","12","","621","627","10.1016/0025-5408(77)90071-X","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001277","8.966","0.003","8.966","0.003","11.857","0.005","90","","90","","120","","825.5","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","TRIBARIUM TETRATITANIUM TETRAANTIMONY(V) OXIDE","","- Ba3 O21 Sb4 Ti4 -","- Ba3 O21 Sb3.9998 Ti4.0002 -","- Ba6 O42 Sb7.9996 Ti8.0004 -","2","0.0833333","","Saurel, C; Groult, D; Raveau, B","Etude du comportement de l'antimoine V et du strontium dans les oxydes a structure en cages du type A~3~ M~8~ O~21~","Materials Research Bulletin","1977","12","","629","635","10.1016/0025-5408(77)90072-1","","","","","","0.21","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001278","8.992","","8.992","","11.605","","90","","90","","120","","812.6","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","TRISTRONTIUM TETRATITANIUM TETRANIOBIUM OXIDE","","- Nb4 O21 Sr3 Ti4 -","- Nb4 O21 Sr3 Ti4 -","- Nb8 O42 Sr6 Ti8 -","2","0.0833333","","Saurel, C; Groult, D; Raveau, B","Etude du comportement de l'antimoine V et du strontium dans les oxydes a structure en cages du type A~3~ M~8~ O~21~","Materials Research Bulletin","1977","12","","629","635","10.1016/0025-5408(77)90072-1","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001279","9.008","","9.008","","11.629","","90","","90","","120","","817.2","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","TRISTRONTIUM TETRATITANIUM TETRATANTALUM OXIDE","","- O21 Sr3 Ta4 Ti4 -","- O21 Sr3 Ta3.9998 Ti4.0002 -","- O42 Sr6 Ta7.9996 Ti8.0004 -","2","0.0833333","","Saurel, C; Groult, D; Raveau, B","Etude du comportement de l'antimoine V et du strontium dans les oxydes a structure en cages du type A~3~ M~8~ O~21~","Materials Research Bulletin","1977","12","","629","635","10.1016/0025-5408(77)90072-1","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001280","6.444","0.004","3.801","0.001","18.86","0.01","90","","90","","90","","462","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","THALLIUM TANTALUM TITANIUM OXIDE","","- O5 Ta Ti Tl -","- O5 Ta Ti Tl -","- O20 Ta4 Ti4 Tl4 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Les oxydes A Ti M O~5~: echangeures cationiques","Materials Research Bulletin","1979","14","","1125","1131","10.1016/0025-5408(79)90206-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001281","9.072","0.004","9.072","0.004","11.67","0.008","90","","90","","120","","831.8","","","","","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","LITHIUM TRIBARIUM TRINIOBIUM PENTATITANIUM OXIDE","","- Ba3 Li Nb3 O21 Ti5 -","- Ba3 Li Nb3 O21 Ti5 -","- Ba6 Li2 Nb6 O42 Ti10 -","2","0.0833333","","Mercey, C; Groult, D; Raveau, B","Insertion du lithium dans les oxydes de type A~3~ M~8~ O~21~: les composes Li Ba M~3~ Ti~5~ O~21~","Materials Research Bulletin","1978","13","","797","804","10.1016/0025-5408(78)90042-9","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001282","9.072","0.004","9.072","0.004","11.67","0.008","90","","90","","120","","831.8","","","","","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","LITHIUM TRIBARIUM TRINIOBIUM PENTATITANIUM OXIDE","","- Ba3 Li Nb3 O21 Ti5 -","- Ba3 Li Nb3 O21 Ti5 -","- Ba6 Li2 Nb6 O42 Ti10 -","2","0.0833333","","Mercey, C; Groult, D; Raveau, B","Insertion du lithium dans les oxydes de type A~3~ M~8~ O~21~: les composes Li Ba M~3~ Ti~5~ O~21~","Materials Research Bulletin","1978","13","","797","804","10.1016/0025-5408(78)90042-9","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001283","9.062","0.004","9.062","0.004","11.679","0.008","90","","90","","120","","830.6","","","","","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","LITHIUM TRIBARIUM TRITANTALUM PENTATITANIUM OXIDE","","- Ba3 Li O21 Ta3 Ti5 -","- Ba3 Li O21 Ta3.0002 Ti4.9998 -","- Ba6 Li2 O42 Ta6.0004 Ti9.9996 -","2","0.0833333","","Mercey, C; Groult, D; Raveau, B","Insertion du lithium dans les oxydes de type A~3~ M~8~ O~21~: les composes Li Ba M~3~ Ti~5~ O~21~","Materials Research Bulletin","1978","13","","797","804","10.1016/0025-5408(78)90042-9","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001284","8.978","0.004","8.978","0.004","11.815","0.008","90","","90","","120","","824.8","","","","","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","LITHIUM TRIBARIUM TRIANTIMONY(V) PENTATITANIUM OXIDE","","- Ba3 Li O21 Sb3 Ti5 -","- Ba3 Li O21 Sb3 Ti5 -","- Ba6 Li2 O42 Sb6 Ti10 -","2","0.0833333","","Mercey, C; Groult, D; Raveau, B","Insertion du lithium dans les oxydes de type A~3~ M~8~ O~21~: les composes Li Ba M~3~ Ti~5~ O~21~","Materials Research Bulletin","1978","13","","797","804","10.1016/0025-5408(78)90042-9","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001285","15.183","","3.783","","9.143","","90","","98.7","","90","","519.1","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","SODIUM BARIUM TITANIUM OXIDE (1.7/.5/5.9/13)","","- Ba0.45 Na1.7 O13 Ti5.85 -","- Ba0.452 Na1.7 O13 Ti5.85 -","- Ba0.904 Na3.4 O26 Ti11.7 -","2","0.25","","Hervieu, M; Germain, P; Desgardin, G; Raveau, B","Non-stoichiometric titanates ^ ^(a2-2x)(ba3x)(ti6-x) o13 ^ ^with a tunnel structure","Materials Research Bulletin","1979","14","","267","272","10.1016/0025-5408(79)90129-6","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001286","9.844","0.005","17.752","0.007","4.095","0.002","90","","90","","90","","715.6","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","COPPER(I) MERCURY SULFIDE CHLORIDE","","- Cl Cu Hg S -","- Cl Cu Hg S -","- Cl8 Cu8 Hg8 S8 -","8","1","","Guillo, M; Mercey, B; Deschanvres, G","Systemes Cu X (X = Cl, Br) - Hg S. Etude des composes Cu Hg S X (X = Cl, Br)","Materials Research Bulletin","1979","14","","947","954","10.1016/0025-5408(79)90162-4","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001287","10.045","0.006","18.32","0.001","4.128","0.002","90","","90","","90","","759.7","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","COPPER(I) MERCURY SULFIDE BROMIDE","","- Br Cu Hg S -","- Br Cu Hg S -","- Br8 Cu8 Hg8 S8 -","8","1","","Guillo, M; Mercey, B; Deschanvres, G","Systemes Cu X (X = Cl, Br) - Hg S. Etude des composes Cu Hg S X (X = Cl, Br)","Materials Research Bulletin","1979","14","","947","954","10.1016/0025-5408(79)90162-4","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001288","6.067","0.004","6.067","0.004","9.88","0.008","90","","90","","120","","314.9","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","LITHIUM ZINC TIN OXIDE (1.6/1.6/2.8/8)","","- Li1.6 O8 Sn2.8 Zn1.6 -","- Li1.6 O8 Sn2.8 Zn1.6 -","- Li3.2 O16 Sn5.6 Zn3.2 -","2","0.166667","","Choisnet, J; Raveau, B","Une nouvelle structure hexagonale compacte ordonne: les oxydes (sn - x3)~octa~ (M - Li)~tetra~ O~8~ avec X = Sn(Ti)+ M + Li et M = Zn, Mg","Materials Research Bulletin","1979","14","","1381","1389","10.1016/0025-5408(79)90079-5","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001289","6.077","0.004","6.077","0.004","9.829","0.008","90","","90","","120","","314.4","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","LITHIUM MAGNESIUM TIN OXIDE (1.6/1.6/2.8/8)","","- Li1.6 Mg1.6 O8 Sn2.8 -","- Li1.6 Mg1.6 O8 Sn2.8 -","- Li3.2 Mg3.2 O16 Sn5.6 -","2","0.166667","","Choisnet, J; Raveau, B","Une nouvelle structure hexagonale compacte ordonne: les oxydes (sn - x3)~octa~ (M - Li)~tetra~ O~8~ avec X = Sn(Ti)+ M + Li et M = Zn, Mg","Materials Research Bulletin","1979","14","","1381","1389","10.1016/0025-5408(79)90079-5","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001290","6.011","0.004","6.011","0.004","9.815","0.008","90","","90","","120","","307.1","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","LITHIUM ZINC TITANIUM TIN OXIDE (1.6/1.6/0.7/2.1/8)","","- Li1.6 O8 Sn2.1 Ti0.7 Zn1.6 -","- Li1.6 O8 Sn2.1001 Ti0.6999 Zn1.6 -","- Li3.2 O16 Sn4.2002 Ti1.3998 Zn3.2 -","2","0.166667","","Choisnet, J; Raveau, B","Une nouvelle structure hexagonale compacte ordonne: les oxydes (sn - x3)~octa~ (M - Li)~tetra~ O~8~ avec X = Sn(Ti)+ M + Li et M = Zn, Mg","Materials Research Bulletin","1979","14","","1381","1389","10.1016/0025-5408(79)90079-5","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001291","3.865","0.002","3.865","0.002","19.887","0.004","90","","90","","90","","297.1","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","DILANTHANUM STRONTIUM DICOPPER HEXAOXIDE","","- Cu2 La2 O6 Sr -","- Cu2 La2 O6 Sr -","- Cu4 La4 O12 Sr2 -","2","0.0625","","Nguyen, N; Er-Rakho, L; Michel, C; Choisnet, J; Raveau, B","Intercroissance de feuilletes ""Perovskites lacunaires"" et de feuillets type chlorure de sodium: les oxydes La~2-~x A~1+x~ Cu~2~ O~6-x/2~ (A = CA, SR)","Materials Research Bulletin","1980","15","","891","897","10.1016/0025-5408(80)90212-3","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001292","3.863","0.002","3.863","0.002","19.963","0.004","90","","90","","90","","297.9","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","LANTHANUM STRONTIUM COPPER OXIDE (1.9/1.1/2/5.95)","","- Cu2 La1.9 O5.95 Sr1.1 -","- Cu2 La1.92 O5.96 Sr1.08 -","- Cu4 La3.84 O11.92 Sr2.16 -","2","0.0625","","Nguyen, N; Er-Rakho, L; Michel, C; Choisnet, J; Raveau, B","Intercroissance de feuilletes ""Perovskites lacunaires"" et de feuillets type chlorure de sodium: les oxydes La~2-~x A~1+x~ Cu~2~ O~6-x/2~ (A = CA, SR)","Materials Research Bulletin","1980","15","","891","897","10.1016/0025-5408(80)90212-3","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001293","3.825","0.002","3.825","0.002","19.404","0.004","90","","90","","90","","283.9","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","LANTHANUM CALCIUM COPPER OXIDE (1.9/1.1/2/5.95)","","- Ca1.1 Cu2 La1.9 O5.95 -","- Ca1.1 Cu2 La1.9 O5.95 -","- Ca2.2 Cu4 La3.8 O11.9 -","2","0.0625","","Nguyen, N; Er-Rakho, L; Michel, C; Choisnet, J; Raveau, B","Intercroissance de feuilletes ""Perovskites lacunaires"" et de feuillets type chlorure de sodium: les oxydes La~2-~x A~1+x~ Cu~2~ O~6-x/2~ (A = CA, SR)","Materials Research Bulletin","1980","15","","891","897","10.1016/0025-5408(80)90212-3","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001294","8.286","0.001","9.408","0.002","7.987","0.002","90","","101.3","0.2","90","","610.6","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","DICADMIUM TRIARSENIDE BROMIDE","","- As3 Br Cd2 -","- As3 Br Cd2 -","- As12 Br4 Cd8 -","4","1","","Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A","Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide","Materials Research Bulletin","1981","16","","525","533","10.1016/0025-5408(81)90118-5","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001295","8.243","0.001","9.334","0.002","7.516","0.002","90","","99.8","0.2","90","","569.8","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","DICADMIUM TRIPHOSPHIDE IODIDE","","- Cd2 I P3 -","- Cd2 I P3 -","- Cd8 I4 P12 -","4","1","","Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A","Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide","Materials Research Bulletin","1981","16","","525","533","10.1016/0025-5408(81)90118-5","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001296","8.077","0.001","9.088","0.002","7.534","0.003","90","","100.3","0.2","90","","544.1","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","DICADMIUM TRIPHOSPHIDE BROMIDE","","- Br Cd2 P3 -","- Br Cd2 P3 -","- Br4 Cd8 P12 -","4","1","","Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A","Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide","Materials Research Bulletin","1981","16","","525","533","10.1016/0025-5408(81)90118-5","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001297","7.969","0.001","8.984","0.002","7.554","0.002","90","","100.8","0.1","90","","531.2","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","DICADMIUM TRIPHOSPHIDE CHLORIDE","","- Cd2 Cl P3 -","- Cd2 Cl P3 -","- Cd8 Cl4 P12 -","4","1","","Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A","Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide","Materials Research Bulletin","1981","16","","525","533","10.1016/0025-5408(81)90118-5","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001298","9.086","","9.086","","12.054","","90","","90","","120","","861.8","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","TRIPOTASSIUM HEPTATANTALUM TITANIUM OXIDE","","- K3 O21 Ta7 Ti -","- K3 O21 Ta6.9998 Ti1.0002 -","- K6 O42 Ta13.9996 Ti2.0004 -","2","0.0833333","","Groult, D; Chailleux, J M; Raveau, B; Deschanvres, A","Nouveaux tantalates A~3~ (Ta~8-x~ M~x~) O~21~ a structure en cages","Revue de Chimie Minerale","1977","14","","1","10","","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001299","9.12","","9.12","","12.086","","90","","90","","120","","870.6","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","POTASSIUM TANTALUM IRON OXIDE (3/7.5/0.5/21)","","- Fe0.5 K3 O21 Ta7.5 -","- Fe0.4998 K3 O21 Ta7.5002 -","- Fe0.9996 K6 O42 Ta15.0004 -","2","0.0833333","","Groult, D; Chailleux, J M; Raveau, B; Deschanvres, A","Nouveaux tantalates A~3~ (Ta~8-x~ M~x~) O~21~ a structure en cages","Revue de Chimie Minerale","1977","14","","1","10","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001300","9.024","","9.024","","11.79","","90","","90","","120","","831.5","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","TRIBARIUM TETRATANTALUM TETRATITANIUM OXIDE","","- Ba3 O21 Ta4 Ti4 -","- Ba3 O21 Ta3.9998 Ti4.0002 -","- Ba6 O42 Ta7.9996 Ti8.0004 -","2","0.0833333","","Groult, D; Chailleux, J M; Raveau, B; Deschanvres, A","Nouveaux tantalates A~3~ (Ta~8-x~ M~x~) O~21~ a structure en cages","Revue de Chimie Minerale","1977","14","","1","10","","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001301","9.116","","9.116","","11.93","","90","","90","","120","","858.6","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","BARIUM TANTALUM IRON OXIDE (3/6/2/21)","","- Ba3 Fe2 O21 Ta6 -","- Ba3 Fe1.9998 O21 Ta6.0002 -","- Ba6 Fe3.9996 O42 Ta12.0004 -","2","0.0833333","","Groult, D; Chailleux, J M; Raveau, B; Deschanvres, A","Nouveaux tantalates A~3~ (Ta~8-x~ M~x~) O~21~ a structure en cages","Revue de Chimie Minerale","1977","14","","1","10","","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001302","9.188","","9.188","","8.123","","90","","90","","120","","593.9","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Hexapotassium hexaniobium tetragermanium oxide","","- Ge4 K6 Nb6 O26 -","- Ge4 K6 Nb6 O26 -","- Ge4 K6 Nb6 O26 -","1","0.0833333","","Choisnet, J; Nguyen, N; Raveau, B","Etude du comportement du germanium dans les structures a tunnels de section pentagonale: Les silicogermanates K~6~ Nb~6~ Ge~x~ Si~4-x~ O~26~","Revue de Chimie Minerale","1977","14","","311","317","","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001303","9.02","0.004","9.02","0.004","11.796","0.008","90","","90","","120","","831.1","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","BARIUM NIOBIUM TITANIUM OXIDE (3/3.2/5/21)","","- Ba3 Nb3.2 O21 Ti5 -","- Ba3 Nb3.2 O21 Ti5 -","- Ba6 Nb6.4 O42 Ti10 -","2","0.0833333","","Mercey, C; Groult, D; Raveau, B","Insertion du niobium et du tantale dans les oxydes de type A~3~ M~8~ O~21~. Les composes Ba~3~ M~4-4x~ Ti~4+5x~ O~21~ (0 <= x <= 0.3)","Revue de Chimie Minerale","1979","16","","165","173","","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001304","9.017","0.004","9.017","0.004","11.82","0.008","90","","90","","120","","832.3","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","BARIUM TANTALUM TITANIUM OXIDE (3/3.2/5/21)","","- Ba3 O21 Ta3.2 Ti5 -","- Ba3 O21 Ta3.2 Ti5 -","- Ba6 O42 Ta6.4 Ti10 -","2","0.0833333","","Mercey, C; Groult, D; Raveau, B","Insertion du niobium et du tantale dans les oxydes de type A~3~ M~8~ O~21~. Les composes Ba~3~ M~4-4x~ Ti~4+5x~ O~21~ (0 <= x <= 0.3)","Revue de Chimie Minerale","1979","16","","165","173","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001306","9.317","0.003","5.752","0.001","5.105","0.001","90","","90","","90","","273.6","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001307","9.315","0.003","5.747","0.001","5.102","0.001","90","","90","","90","","273.1","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001308","9.306","0.003","5.742","0.001","5.097","0.001","90","","90","","90","","272.4","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001309","9.298","0.003","5.736","0.001","5.092","0.001","90","","90","","90","","271.6","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001310","9.287","0.003","5.731","0.002","5.089","0.001","90","","90","","90","","270.9","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001311","9.274","0.003","5.727","0.002","5.085","0.001","90","","90","","90","","270.1","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001312","9.266","0.003","5.72","0.002","5.08","0.001","90","","90","","90","","269.2","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001313","9.259","0.004","5.714","0.002","5.075","0.001","90","","90","","90","","268.5","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001314","9.261","0.004","5.707","0.002","5.074","0.001","90","","90","","90","","268.2","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","DIGERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001315","9.254","0.004","5.699","0.002","5.073","0.002","90","","90","","90","","267.5","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","DIGERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001316","9.247","0.004","5.689","0.002","5.072","0.002","90","","90","","90","","266.8","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","DIGERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001318","4.466","0.003","4.466","0.003","7.302","0.008","90","","90","","120","","126.1","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","tricadmium arsenide triiodide","","- As0.5 Cd1.5 I1.5 -","- As0.5 Cd1.5 I1.5 -","- As0.5 Cd1.5 I1.5 -","1","0.0833333","","Rebbah, A.; Yazbeck, J.; Deschanvres, A.","Etude structurale des composes Cd~3~YX~3~ (Y=As, P; X=Cl, Br, I)","Revue de Chimie Minerale","1981","19","","43","53","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","200126","2020-10-21","18:00:00",""
"1001319","4.422","0.009","4.422","0.009","7.24","0.01","90","","90","","120","","122.6","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","tricadmium phosphide triiodide","","- Cd1.5 I1.5 P0.5 -","- Cd1.5 I1.5 P0.5 -","- Cd1.5 I1.5 P0.5 -","1","0.0833333","","Rebbah, A.; Yazbeck, J.; Deschanvres, A.","Etude structurale des composes Cd~3~YX~3~ (Y=As, P; X=Cl, Br, I)","Revue de Chimie Minerale","1981","19","","43","53","","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","200126","2020-10-21","18:00:00",""
"1001320","12.955","0.005","12.955","0.005","12.955","0.005","90","","90","","90","","2174.3","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","CADMIUM ARSENIDE PHOSPHIDE IODIDE (4/1.5/0.5/3)","","- As1.5 Cd4 I3 P0.5 -","- As1.5 Cd4 I3 P0.5 -","- As12 Cd32 I24 P4 -","8","0.333333","","Rebbah, A; Deschanvres, A","Etude comparative des structures des phases Cd~4~ A~2~ I~3~ (A=As, P) et de leur solution solide","Revue de Chimie Minerale","1981","18","","125","132","","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001321","12.884","0.005","12.884","0.005","12.884","0.005","90","","90","","90","","2138.7","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","TETRACADMIUM ARSENIDE PHOSPHIDE TRIIODIDE","","- As Cd4 I3 P -","- As Cd4 I3 P -","- As8 Cd32 I24 P8 -","8","0.333333","","Rebbah, A; Deschanvres, A","Etude comparative des structures des phases Cd~4~ A~2~ I~3~ (A=As, P) et de leur solution solide","Revue de Chimie Minerale","1981","18","","125","132","","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001322","12.843","0.005","12.843","0.005","12.843","0.005","90","","90","","90","","2118.4","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","CADMIUM ARSENIDE PHOSPHIDE IODIDE (4/0.5/1.5/3)","","- As0.5 Cd4 I3 P1.5 -","- As0.5 Cd4 I3 P1.5 -","- As4 Cd32 I24 P12 -","8","0.333333","","Rebbah, A; Deschanvres, A","Etude comparative des structures des phases Cd~4~ A~2~ I~3~ (A=As, P) et de leur solution solide","Revue de Chimie Minerale","1981","18","","125","132","","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001323","12.521","0.002","12.521","0.002","12.521","0.002","90","","90","","90","","1963","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","TETRACADMIUM PHOSPHIDE ARSENIDE TRIBROMIDE","","- As Br3 Cd4 P -","- As Br3 Cd4 P -","- As8 Br24 Cd32 P8 -","8","0.333333","","Rebbah, A; Deschanvres, A","Structure cristalline de Cd~4~ P As Br~3~","Annales de Chimie (Paris) (Vol=Year)","1981","1981","","585","590","","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001324","7.52","","7.52","","36.45","","90","","90","","120","","1785.1","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Silver tantalum oxide hydrate (10/29.2/78/10)","","- Ag10 H20 O88 Ta29.2 -","- Ag9.984 H29.96 O87.98 Ta29.2 -","- Ag9.984 H29.96 O87.98 Ta29.2 -","1","0.0416667","","Marini, A; Michel, C; Raveau, B","Etude du comportement des ions en insertion dans les oxydes A~10~ M~29.2~ O~78~ et A~10~ M~29.2~ O~78~ (H~2~ O)~10~","Revue de Chimie Minerale","1979","16","","73","79","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001325","7.532","","7.532","","36.42","","90","","90","","120","","1789.3","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Thallium niobium oxide (10/29.2/78)","","- Nb29.2 O78 Tl10 -","- Nb28.9 O78 Tl9.999 -","- Nb28.9 O78 Tl9.999 -","1","0.0416667","","Marini, A; Michel, C; Raveau, B","Etude du comportement des ions en insertion dans les oxydes A~10~ M~29.2~ O~78~ et A~10~ M~29.2~ O~78~ (H~2~ O)~10~","Revue de Chimie Minerale","1979","16","","73","79","","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001326","10.883","","10.73","","10.674","","90","","95.67","","90","","1240.4","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis(octasulfur) diimidohexasulfur","","- H2 N2 S22 -","- H5 N2 S22 -","- H10 N4 S44 -","2","0.5","","Garcia-Fernandez, H; Gasperin, M; Freymann, R","Etude chimique structurale et spectrographique du complexe par transfert de charge 2S~8~-S~6~(N H)~2~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1982","295","","1109","1112","","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001327","6.695","0.001","6.695","0.001","5.819","0.002","90","","90","","90","","260.8","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Dineodymium barium copper(II) pentaoxide","","- Ba Cu Nd2 O5 -","- Ba Cu Nd2 O5 -","- Ba2 Cu2 Nd4 O10 -","2","0.125","","Michel, C; Er-Rakho, L; Raveau, B","Les oxides Nd~2-x~ Ba~1+x~ Cu~1-x/2~ O~5-x~","Revue de Chimie Minerale","1984","21","","85","91","","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001328","11.276","0.005","11.276","0.005","4.593","0.003","90","","90","","120","","505.8","","","","","","","","","","","","","3","P 3 1 m","P 3 -2","157","","Lead rhenate","","- O8 Pb Re2 -","- O8 Pb Re2 -","- O24 Pb3 Re6 -","3","0.5","","Picard, J-P; Baud, G; Besse, J-P; Chevalier, R; Gasperin, M","Structure cristalline du perrhenate de plomb Pb (Re O~4~)~2~","Journal of the Less-Common Metals","1984","96","","171","176","10.1016/0022-5088(84)90192-9","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001329","12.119","0.004","6.908","0.003","7.928","0.003","90","","92.84","","90","","662.9","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Cobalt neptunium(IV) fluoride trihydrate","","- Co F6 H6 Np O3 -","- Co F6 H6 Np O3 -","- Co4 F24 H24 Np4 O12 -","4","1","","Abazli, H; Cousson, A; Jove, J; Pages, M; Gasperin, M","Les composes Co Np F~6~ (H~2~ O)~3~ et Co U F~6~ (H~2~ O)~3~. Etude structurale, mesur des susceptibilites magnetiques et resonance Moessbauer (^237^Np)","Journal of the Less-Common Metals","1984","96","","23","33","10.1016/0022-5088(84)90176-0","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001330","13.477","0.015","10.031","0.008","8.428","0.002","90","","110.966","","90","","1063.9","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Magnesium dimanganese hexabromide dodecahydrate","","- Br6 H24 Mg Mn2 O12 -","- Br6 H24 Mg Mn2 O12 -","- Br12 H48 Mg2 Mn4 O24 -","2","0.25","","Leclaire, A","Structure de l'hexabromure de magnesium et de dimanganese dodecahydrate Mg Mn~2~ Br~6~ (H~2~ O)~12~","Acta Crystallographica C (39,1983-)","1985","41","","169","170","","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1001331","13.061","0.001","12.319","0.001","5.296","0.0005","90","","90","","90","","852.1","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Caesium tungsten diphosphate oxide (1/8/4/12)","","- Cs O40 P8 W8 -","- Cs O40 P8 W8 -","- Cs O40 P8 W8 -","1","0.125","","Goreaud, M; Labbe, P; Raveau, B","Cs P~8~ W~8~ O~40~: A diphosphate tungsten bronze with octagonal tunnels","Journal of Solid State Chemistry","1985","56","","41","48","10.1016/0022-4596(85)90250-6","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001332","12.023","0.005","11.723","0.005","8.435","0.004","90","","128.77","0.02","90","","926.9","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Neptunium(IV) 12-fluoride hydrate","","- F12 H2 Np3 O -","- F12 H2.5 Np3 O -","- F48 H10 Np12 O4 -","4","1","","Cousson, A; Gasperin, M","Nouvelle description du tetrafluorure de neptunium hydrate, Np~3~ F~12~ H~2~ O","Acta Crystallographica C (39,1983-)","1985","41","","804","805","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001333","10.181","0.006","7.519","0.001","17.156","0.004","90","","113.32","0.03","90","","1206","","","","","","","","","","","","","4","A 1 2/m 1","-A 2y","12","","Rubidium tungstophosphate *","","- O64 P8 Rb2 W16 -","- O64 P4 Rb2 W16 -","- O64 P4 Rb2 W16 -","1","0.125","","Giroult, J P; Goreaux, M; Labbe, P; Raveau, B","Les bronzes de tungstene pyrophosphates Rb~x~ P~4~ O~8~ (W O~3~)~2m~: etude structural du compose le plus riche en phosphore (Rb~2~ P~8~ W~16~ O~64~)","Revue de Chimie Minerale","1983","20","","829","836","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001334","8.2642","0.0005","8.2642","0.0005","17.559","0.002","90","","90","","120","","1038.6","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Caesium molybdosilicophosphate *","","- Cs Mo3 O25 P5.8 Si2 -","- Cs Mo3 O25 P5.802 Si2 -","- Cs2 Mo6 O50 P11.604 Si4 -","2","0.166667","","Leclaire, A; Monier, J C; Raveau, B","Structure of Cs Mo~3~ P~5.8~ Si~2~ O~25~","Acta Crystallographica C (39,1983-)","1985","41","","1719","1720","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001335","5.2927","0.0007","6.5604","0.0007","23.549","0.003","90","","90","","90","","817.7","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Phosphorus tungsten oxide (1/3/11)","","- O11 P W3 -","- O11 P W3 -","- O44 P4 W12 -","4","1","","Labbe, P; Goreaud, M; Raveau, B","Monophosphate tungsten bronzes with pentagonal tunnels (P O~2~)~4~ (W O~3~)~2m~: Structure of two even-m members P~4~ W~12~ O~44~ (m=6) and P~4~ W~16~ O~56~ (m=8)","Journal of Solid State Chemistry","1986","61","","324","331","10.1016/0022-4596(86)90038-1","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001336","5.2943","0.0005","6.5534","0.0004","29.7","0.004","90","","90","","90","","1030.5","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Phosphorus tungsten oxide (1/4/14)","","- O14 P W4 -","- O14 P W4 -","- O56 P4 W16 -","4","1","","Labbe, P; Goreaud, M; Raveau, B","Monophosphate tungsten bronzes with pentagonal tunnels (P O~2~)~4~ (W O~3~)~2m~: Structure of two even-m members P~4~ W~12~ O~44~ (m=6) and P~4~ W~16~ O~56~ (m=8)","Journal of Solid State Chemistry","1986","61","","324","331","10.1016/0022-4596(86)90038-1","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001337","7.63","0.002","10.923","0.002","13.609","0.003","90","","90","","90","","1134.2","","","","","","","","","","","","","6","A m a m","-A 2 2a","63","","Caesium potassium niobium titanium uranium oxide (.75/.25/1/1/2/11)","","- Cs0.75 K0.25 Nb O11 Ti U2 -","- Cs0.75 K0.25 Nb O11 Ti U2 -","- Cs3 K Nb4 O44 Ti4 U8 -","4","0.25","","Gasperin, M","(Cs~.75~ K~.25~) (Nb, Ti) U~2~ O~11~: un Niobotitanouranate Alcalin de Type Sructural Nouveau","Acta Crystallographica C (39,1983-)","1986","42","","136","138","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001338","7.43","0.001","8.7","0.001","10.668","0.002","90","","105.08","0.01","90","","665.8","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Caesium niobium uranium hexaoxide","","- Cs Nb O6 U -","- Cs Nb O6 U -","- Cs4 Nb4 O24 U4 -","4","1","","Gasperin, M","Synthese et structure du niobouranate de cesium:CsNbUo~6~","Acta Crystallographica C (39,1983-)","1987","43","","404","406","","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001339","5.802","0.002","5.969","0.002","11.699","0.003","90","","90","","90","","405.2","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Disodium uranate","","- Na2 O4 U -","- Na2 O4 U -","- Na8 O16 U4 -","4","0.125","","Gasperin, M.","Synthese en monocristaux et structure du monouranate de sodium β-Na~2~UO~4~","Journal of Solid State Chemistry","1985","60","3","316","319","10.1016/0022-4596(85)90282-8","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","200145","2020-10-21","18:00:00",""
"1001340","8.803","0.002","7.04","0.002","11.066","0.003","90","","94.12","","90","","684","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Cobalt dineptunium decafluoride octahydrate","","- Co F10 H16 Np2 O8 -","- Co F10 H16 Np2 O8 -","- Co2 F20 H32 Np4 O16 -","2","0.5","","Cousson, A; Abazli, H; Jove, J; Gasperin, M","Synthese et etude structurale des composes Co Np~2~ F~10~ (H~2~ O)~8~ et Cu Np~2~ F~10~ (H~2~ O)~6~","Journal of the Less-Common Metals","1985","109","","155","168","10.1016/0022-5088(85)90115-8","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001341","19.043","0.004","7.128","0.002","8.593","0.002","90","","96.63","","90","","1158.6","","","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Copper dineptunium decafluoride hexahydrate","","- Cu F10 H12 Np2 O6 -","- Cu F10 H12 Np2 O6 -","- Cu2 F20 H24 Np4 O12 -","2","0.5","","Cousson, A; Abazli, H; Jove, J; Gasperin, M","Synthese et etude structurale des composes Co Np~2~ F~10~ (H~2~ O)~8~ et Cu Np~2~ F~10~ (H~2~ O)~6~","Journal of the Less-Common Metals","1985","109","","155","168","10.1016/0022-5088(85)90115-8","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001342","8.836","0.001","9.255","0.001","12.288","0.001","90","","90","","90","","1004.9","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Thallium dimolybdenotriphosphate","","- Mo2 O12 P3 Tl -","- Mo2 O12 P3 Tl -","- Mo8 O48 P12 Tl4 -","4","0.5","","Leclaire, A; Monier, J C; Raveau, B","Tl Mo~2~^IV^ P~3~ O~12~: A Molybdenophosphate with a Tunnel Structure","Journal of Solid State Chemistry","1985","59","","301","305","10.1016/0022-4596(85)90297-X","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001344","14.584","0.002","8.416","0.001","14.18","0.001","90","","110.05","0.06","90","","1635","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Molybdenum(III) silicophosphate","","- Mo O11 P3 Si -","- Mo O11 P3 Si -","- Mo8 O88 P24 Si8 -","8","1","","Leclaire, A; Raveau, B","Mo P~3~ Si O~11~: A silicophosphate of molybdenum(III)","Journal of Solid State Chemistry","1987","71","","283","290","10.1016/0022-4596(87)90235-0","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001345","12.504","0.003","4.183","0.001","10.453","0.003","90","","122.18","0.03","90","","462.7","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Uranium borate *","","- B2 O6 U -","- B2 O6 U -","- B8 O24 U4 -","4","0.5","","Gasperin, M","Structure du borate d'uranium U B~2~ O~6~","Acta Crystallographica C (39,1983-)","1987","43","","2031","2033","","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001347","16.512","0.003","8.169","0.002","6.582","0.001","90","","96.97","0.03","90","","881.3","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Calcium diboron diuranium decaoxide","","- B2 Ca O10 U2 -","- B2 Ca O10 U2 -","- B8 Ca4 O40 U8 -","4","1","","Gasperin, M","Synthese et structure du borouranate de calcium: Ca B~2~ U~2~ O~10~.","Acta Crystallographica C (39,1983-)","1987","43","","1247","1250","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001348","5.687","0.002","5.687","0.002","14.167","0.004","90","","90","","120","","396.8","","","","","","","","","","","","","4","P -6 m 2","P -6 2","187","","Barium manganese iron oxide *","","- Ba Fe0.233 Mn0.767 O2.87 -","- Ba Fe0.23 Mn0.77 O2.87 -","- Ba6 Fe1.38 Mn4.62 O17.22 -","6","0.5","","Caignaert, V; Hervieu, M; Domenges, B; Nguyen, N; Pannetier, J; Raveau, B","BaMn~1-x~Fe~x~O~3-d~, an Oxygen-Deficient ~6~H' Oxide Electron Microscopy, Powder Neutron Diffraction, and Moessbauer Study","Journal of Solid State Chemistry","1988","73","","107","117","10.1016/0022-4596(88)90060-6","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001349","17.6398","0.0014","9.1761","0.0004","12.3","0.0008","90","","90","","90","","1990.9","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Potassium dimolybdenophosphate(V)","","- K Mo2 O12 P3 -","- K Mo2 O12 P3 -","- K8 Mo16 O96 P24 -","8","1","","Leclaire, A; Raveau, B","Small atomic displacements in the molybdenophosphates A Mo~2~ P~3~ O~12~ (A = K, Rb, Tl).","Acta Crystallographica C (39,1983-)","1988","44","","226","229","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001350","8.8314","0.0008","9.2368","0.0007","12.3051","0.0009","90","","90","","90","","1003.8","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Rubidium dimolybdenotriphosphate(V)","","- Mo2 O12 P3 Rb -","- Mo2 O12 P3 Rb -","- Mo8 O48 P12 Rb4 -","4","0.5","","Leclaire, A; Raveau, B","Small atomic displacements in the molybdenophosphates A Mo~2~ P~3~ O~12~ (A = K, Rb, Tl).","Acta Crystallographica C (39,1983-)","1988","44","","226","229","","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001351","3.911","0.002","3.911","0.002","17.857","0.005","90","","90","","120","","236.5","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sodium uranate *","","- Na O3.5 U -","- Na O3.492 U0.9996 -","- Na3 O10.476 U2.9988 -","3","0.0833333","","Gasperin, M","Na~2~U~2~O~7~: Synthese et structure d'un monocristal","Journal of the Less-Common Metals","1986","119","","83","90","10.1016/0022-5088(86)90198-0","","","","","","0.082","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001352","5.523","0.001","10.761","0.005","3.811","0.001","90","","90","","90","","226.5","","","","","","","","","","SrCO3 and Mn3O4 were first mixed and heated at 1100\%C in air, and then heated at 1450\%C in air. The resulting product was heated in an evacuated silica ampoule at 500\%C in the presence of zirconium.","","","3","P b a m","-P 2 2ab","55","","Distrontium dimanganese pentaoxide","","- Mn2 O5 Sr2 -","- Mn2 O5 Sr2 -","- Mn4 O10 Sr4 -","2","0.25","","Caignaert, V.; Nguyen, N.; Hervieu, M.; Raveau, B.","Sr~2~Mn~2~O~5~, an oxygen-defect perovskite with Mn(III) in square pyramidal coordination","Materials Research Bulletin","1985","20","","479","484","10.1016/0025-5408(85)90101-1","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001353","6.639","0.007","8.957","0.011","21.145","0.016","90","","90","","90","","1257.4","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Barium titanium niobium oxide (1/3/4/17)","","- Ba Nb4 O17 Ti3 -","- Ba Nb4 O17 Ti3 -","- Ba4 Nb16 O68 Ti12 -","4","0.25","","Mezaoui, D; Michel, C; Groult, D; Raveau, B","A M~3~ O~9~ (M~2~ O~4~)~n~: A series of oxides derived from the rutile structure by chemical twinning","Materials Research Bulletin","1986","21","","1039","1044","10.1016/0025-5408(86)90218-7","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001354","7.4314","0.0003","7.4314","0.0003","7.4314","0.0003","90","","90","","90","","410.4","","","","","","","","","","","","","5","I m -3","-I 2 2 3","204","","Lithium copper titanium niobium oxide (1.33/2.67/2.67/1.33/12)","","- Cu2.67 Li1.33 Nb1.33 O12 Ti2.67 -","- Cu2.67 Li1.29 Nb1.32 O12 Ti2.68 -","- Cu5.34 Li2.58 Nb2.64 O24 Ti5.36 -","2","0.0416667","","Mouron, P; Choisnet, J","New substituted copper titanates with the Ca Cu~3~ Ti~4~ O~12~ structure: Li (Cu~3-x~ Li~x~) (Ti~3-x~ M~1+x~) O~12~ (M(V)=Nb: 12<x<.33; M(V)=Ta: x=.33)","Journal of Solid State Chemistry","1987","66","","311","317","10.1016/0022-4596(87)90200-3","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001355","7.713","0.003","10.329","0.004","13.947","0.005","90","","90","","90","","1111.1","","","","","","","","","","","","","4","P m n b","-P 2bc 2a","62","","Thallium niobium uranium oxide (1/2/2/11.5)","","- Nb2 O11.5 Tl U2 -","- Nb2 O11.5 Tl U2 -","- Nb8 O46 Tl4 U8 -","4","0.5","","Gasperin, M","Synthese et structure de trois niobouranates d'ions monovalents: Tl Nb~2~ U~2~ O~11.5~, K Nb U O~6~, et Rb Nb U O~6~","Journal of Solid State Chemistry","1987","67","","219","224","10.1016/0022-4596(87)90357-4","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001356","7.579","0.002","11.321","0.004","15.259","0.005","90","","90","","90","","1309.3","","","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","Potassium niobium uranium oxide","","- K Nb O6 U -","- K Nb O6 U -","- K8 Nb8 O48 U8 -","8","1","","Gasperin, M","Synthese et structure de trois niobouranates d'ions monovalents: Tl Nb~2~ U~2~ O~11.5~, K Nb U O~6~, et Rb Nb U O~6~","Journal of Solid State Chemistry","1987","67","","219","224","10.1016/0022-4596(87)90357-4","","","","","","0.082","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001357","13.797","0.001","13.797","0.001","13.797","0.001","90","","90","","90","","2626.4","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Barium dicadmium hexachloride pentahydrate","","- Ba Cd2 Cl6 H10 O5 -","- Ba Cd2 Cl6 H10 O5 -","- Ba8 Cd16 Cl48 H80 O40 -","8","0.0416667","","Ledesert, M; Raveau, B","Ba Cd~2~ Cl~6~ (H~2~ O)~5~. A pyrochlore with 16(d) and 32(e) positions both fully occupied","Journal of Solid State Chemistry","1987","67","","340","345","10.1016/0022-4596(87)90372-0","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001358","10.206","0.003","10.206","0.003","10.206","0.003","90","","90","","90","","1063.1","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Tungsten oxide hemihydrate","","- H O3.5 W -","- H O3.5 W -","- H16 O56 W16 -","16","0.0833333","","Nedjar, R; Borel, M M; Hervieu, M; Raveau, B","Une Nouvelle Forme de Trioxyde de Tungstene: Les Oxydes W O~3~ et W O~3~ 0.5(H~2~ O) a Structure Pyrochlore","Materials Research Bulletin","1988","23","","91","97","10.1016/0025-5408(88)90229-2","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001359","10.712","0.003","5.78","0.001","6.862","0.002","90","","90","","90","","424.9","","","","","","","","","","","","","4","P c a m","-P 2c 2ac","57","","Sodium borouranate","","- B Na O5 U -","- B Na O5 U -","- B4 Na4 O20 U4 -","4","0.5","","Gasperin, M","Synthese et structure du borouranate de sodium, Na B U O~5~.","Acta Crystallographica C (39,1983-)","1988","44","","415","416","","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001360","9.747","0.003","7.315","0.002","7.911","0.002","90","","90","","90","","564","","","","","","","","","","prepared at 1473 K","","","4","P c a m","-P 2c 2ac","57","","Magnesium diborouranate - prepared at 1473 K","","- B2 Mg O7 U -","- B2 Mg O7 U -","- B8 Mg4 O28 U4 -","4","0.5","","Gasperin, M","Synthese et structure du diborouranate de magnesium, Mg B~2~ U O~7~.","Acta Crystallographica C (39,1983-)","1987","43","","2264","2266","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001361","17.6398","0.0014","9.1761","0.0004","12.3","0.0008","90","","90","","90","","1990.9","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Potassium dimolybdotriphosphate","","- K Mo2 O12 P3 -","- K Mo2 O12 P3 -","- K8 Mo16 O96 P24 -","8","1","","Leclaire, A; Raveau, B","Small Atomic Displacements in the Molybdenophospates A Mo~2~ P~3~ O~12~ (A= K, Rb, Tl)","Acta Crystallographica C (39,1983-)","1988","44","","226","229","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001363","14.705","0.004","14.705","0.004","7.3986","0.0005","90","","90","","120","","1385.5","","","","","","","","","","","","","4","P -3","-P 3","147","","Tetramolybdenum(III) tecto-hexaphosphodisilicate","","- Mo4 O25 P6 Si2 -","- Mo4 O25 P6 Si2 -","- Mo12 O75 P18 Si6 -","3","0.5","","Leclaire, A; Lamire, M; Raveau, B","Mo~4~ P~6~ Si~2~ O~25~, an Mo(^III^) phosphosilicate closely related to V~3~ P~5~ Si O~19~: oxygen non-stoichiometry in silicophosphates.","Acta Crystallographica C (39,1983-)","1988","44","","1181","1184","","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001365","10.8461","0.0008","10.8461","0.0008","3.8631","0.001","90","","90","","90","","454.4","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Lanthanum strontium copper oxide (6.4/1.6/8/20)","","- Cu8 La6.4 O20 Sr1.6 -","- Cu8 La6.4 O20 Sr1.6 -","- Cu8 La6.4 O20 Sr1.6 -","1","0.0625","","Er Rakho, L; Michel, C; Raveau, B","La~8-x~ Sr~x~ Cu~8~ O~20~: An Oxygen-Deficient Perovskite Built of Cu O~6~, Cu O~5~, and Cu O~4~ Polyhedra","Journal of Solid State Chemistry","1988","73","","514","519","10.1016/0022-4596(88)90138-7","","","","","","0.149","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001366","3.85","","3.85","","35.6","","90","","90","","90","","527.7","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Thallium(I,III) barium calcium copper(III) oxide (1.82/2/1.9/3/10.94)","","- Ba2 Ca1.9 Cu3 O10.94 Tl1.82 -","- Ba2 Ca1.94 Cu3 O10.94 Tl1.818 -","- Ba4 Ca3.88 Cu6 O21.88 Tl3.636 -","2","0.0625","","Hervieu, M; Michel, C; Maignan, A; Martin, C; Raveau, B","The 125 K Superconductor Tl~2-x~ Ba~2~ Ca~2~ Cu~3~ O~10+d~: A Tentative Structural Model","Journal of Solid State Chemistry","1988","74","","428","432","10.1016/0022-4596(88)90376-3","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001367","3.833","","3.833","","12.68","","90","","90","","90","","186.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium(III) dibarium calcium dicopper(II,III) oxide","","- Ba2 Ca Cu2 O7 Tl -","- Ba2 Ca0.9 Cu1.9 O7 Tl1.1 -","- Ba2 Ca0.9 Cu1.9 O7 Tl1.1 -","1","0.0625","","Hervieu, M; Maignan, A; Martin, C; Michel, C; Provost, J; Raveau, B","A New Member of the Thallium Superconductive Series. The ""1212"" Oxide Tl Ba~2~ Ca Cu~2~ O~8-y~: Importance of Oxygen Content","Journal of Solid State Chemistry","1988","75","","212","215","10.1016/0022-4596(88)90321-0","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001368","7.994","0.001","7.994","0.001","16.513","0.002","90","","90","","120","","913.9","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Germanium phosphatosilicate *","","- Ge3 O25 P6 Si2 -","- Ge3 O25 P6 Si2 -","- Ge6 O50 P12 Si4 -","2","0.166667","","Leclaire, A; Raveau, B","Ge~3~ P~6~ Si~2~ O~25~: A Cage Structure Closely Related to the Intersecting Tunnel Structure K Mo~3~ P~6~ Si~2~ O~25~","Journal of Solid State Chemistry","1988","75","","397","402","10.1016/0022-4596(88)90180-6","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001369","7.4195","0.0003","8.1084","0.0004","9.7598","0.0004","90","","111.868","0.003","90","","544.9","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium molybdenum(III) diphosphate","","- Mo Na O7 P2 -","- Mo Na O7 P2 -","- Mo4 Na4 O28 P8 -","4","1","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A Mo(III) Phosphate with a Cage Structure: Na Mo P~2~ O~7~","Journal of Solid State Chemistry","1988","76","","131","135","10.1016/0022-4596(88)90200-9","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001370","5.172","0.002","5.172","0.002","13.847","0.006","90","","90","","120","","320.8","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Dilithium zirconium tellurium oxide","","- Li2 O6 Te Zr -","- Li2 O6 Te Zr -","- Li6 O18 Te3 Zr3 -","3","0.333333","","Choisnet, J; Rulmont, A; Tarte, P","Les tellurates mixtes Li~2~ Zr Te O~6~ et Li~2~ Hf Te O~6~: un nouveau phenomene d'ordre dans la famille corindon","Journal of Solid State Chemistry","1988","75","","124","135","10.1016/0022-4596(88)90309-X","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001371","17.407","0.001","11.3438","0.0007","7.2964","0.0015","90","","90","","90","","1440.8","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Dipotassium vanadtobiphosphate","","- K2 O17 P4 V3 -","- K2 O17 P4 V3 -","- K8 O68 P16 V12 -","4","1","","Leclaire, A; Chahboun, H; Groult, D; Raveau, B","Concerning the Intersecting Tunnel Structure of a Novel Vanadyldiphosphate K~2~ (V O~3~) (P~2~ O~7~)~2~ and Its Structural Relationships with Other V(V) and V(IV) Phosphates and Relatives","Journal of Solid State Chemistry","1988","77","","170","179","10.1016/0022-4596(88)90105-3","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001372","10.384","0.001","7.122","0.0008","5.5933","0.0006","90","","90","","90","","413.7","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sodium silver molybenum oxide -II","","- Ag Mo Na O4 -","- Ag Mo Na O4 -","- Ag4 Mo4 Na4 O16 -","4","0.5","","Rulmont, A; Tarte, P; Foumakoye, G; Fransolet, A M; Choisnet, J","The disordered Spinel Na Ag Mo O~4~ and Its High Temperature, Ordered Orthorhombic Polymorph","Journal of Solid State Chemistry","1988","76","","18","25","10.1016/0022-4596(88)90188-0","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001373","3.844","","3.844","","15.88","","90","","90","","90","","234.6","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Barium calcium copper(II,III) thallium oxide (2/2/4/.93/8.84)","","- Ba2 Ca2 Cu3 O8.84 Tl0.93 -","- Ba2 Ca2 Cu3 O8.84 Tl0.93 -","- Ba2 Ca2 Cu3 O8.84 Tl0.93 -","1","0.0625","","Martin, C; Michel, C; Maignan, A; Hervieu, M; Raveau, B","Tl Ba~2-x~ Ca~2+x~ Cu~3~ O~10-y~ : un supraconducteur a 120 K, nouveau terme d'une grande famille d'intercroissances de couches multiples types chlorure de sodium et de couches multiples de type perovskite deficitaires en oxygene","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1988","307","","27","32","","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001374","6.5476","0.0003","6.5441","0.0006","6.5743","0.0005","66.407","0.006","83.264","0.005","87.579","0.006","256.4","","","","","","","","","","","","","4","P -1","-P 1","2","","Calcium cobalt diphosphate","","- Ca Co O7 P2 -","- Ca Co O7 P2 -","- Ca2 Co2 O14 P4 -","2","1","","Riou, D; Labbe, P; Goreaud, M","Les pyrophosphates A(II)~x~ M P~2~ O~7~: Synthese et etude structurale de Ba Co P~2~ O~7~ et Ba Ni P~2~ O~7~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1988","307","","1751","1756","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001375","5.323","0.0006","7.5799","0.0004","7.1174","0.0003","101.217","0.004","84.191","0.008","89.319","0.008","280.1","","","","","","","","","","","","","4","P -1","-P 1","2","","Barium cobalt diphosphate","","- Ba Co O7 P2 -","- Ba Co O7 P2 -","- Ba2 Co2 O14 P4 -","2","1","","Riou, D; Labbe, P; Goreaud, M","Les pyrophosphates A(II)~x~ M P~2~ O~7~: Synthese et etude structurale de Ba Co P~2~ O~7~ et Ba Ni P~2~ O~7~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1988","307","","903","907","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001376","3.9098","0.0001","3.9098","0.0001","11.7058","0.0005","90","","90","","90","","178.9","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Lanthanum barium copper oxide (1.5/1.5/3/7.02)","","- Ba1.5 Cu3 La1.5 O7.02 -","- Ba1.5 Cu3 La1.5 O7.02 -","- Ba1.5 Cu3 La1.5 O7.02 -","1","0.0625","","Domenges, B; Hervieu, M; Michel, C; Maignan, A; Raveau, B","La~3~ Ba~3~ Cu~6~ O~14+x~: A Single Phase Or A Mixture?","Physica Status Solidi, Sectio A: Applied Research","1988","107","","73","84","10.1002/pssa.2211070106","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001377","3.863","0.001","3.863","0.001","11.626","0.003","90","","90","","90","","173.5","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Yttrium barium copper oxide (1/2/3/6.9)","","- Ba2 Cu2.98 O6.92 Y -","- Ba2 Cu2.98 O6.92 Y -","- Ba2 Cu2.98 O6.92 Y -","1","0.0625","","Roth, G; Heger, G; Renker, B; Pannetier, J; Caignaert, V; Hervieu, M; Raveau, B","Crystallographic study of the tetragonal high-T~c~ superconductor Y Ba~2~ (Cu~.95~ Fe~.05~)~3~ O~7~","Physica C (Amsterdam) (152,1988-)","1988","153","","972","973","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001378","3.858","0.001","3.858","0.001","11.585","0.003","90","","90","","90","","172.4","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Yttrium barium copper oxide (1/2/3/7)","","- Ba2 Cu2.98 O6.96 Y -","- Ba2 Cu2.978 O6.96 Y -","- Ba2 Cu2.978 O6.96 Y -","1","0.0625","","Roth, G; Heger, G; Renker, B; Pannetier, J; Caignaert, V; Hervieu, M; Raveau, B","Crystallographic study of the tetragonal high-T~c~ superconductor Y Ba~2~ (Cu~.95~ Fe~.05~)~3~ O~7~","Physica C (Amsterdam) (152,1988-)","1988","153","","972","973","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001379","3.862","0.001","3.862","0.001","11.673","0.003","90","","90","","90","","174.1","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Yttrium barium copper oxide (1/2/2.9/7)","","- Ba2 Cu2.93 O7 Y -","- Ba2 Cu2.933 O6.968 Y -","- Ba2 Cu2.933 O6.968 Y -","1","0.0625","","Roth, G; Heger, G; Renker, B; Pannetier, J; Caignaert, V; Hervieu, M; Raveau, B","Crystallographic study of the tetragonal high-T~c~ superconductor Y Ba~2~ (Cu~.95~ Fe~.05~)~3~ O~7~","Physica C (Amsterdam) (152,1988-)","1988","153","","972","973","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001380","8.846","0.008","8.846","0.009","10.01","0.01","56.488","0.008","55.588","0.007","68.868","0.007","537.5","","","","","","","","","","","","","4","P -1","-P 1","2","","Potassium tecto-dimolybdeno(V)triphosphate - δ","","- K Mo2 O13 P3 -","- K Mo2 O13 P3 -","- K Mo2 O13 P3 -","1","0.5","","Leclaire, A.; Borel, M. M.; Grandin, A.; Raveau, B.","A novel form of molybdenum(V) phosphate: δ-KMo~2~P~3~O~13~","Zeitschrift für Kristallographie","1989","188","1-4","77","83","10.1524/zkri.1989.188.14.77","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","200128","2020-10-21","18:00:00",""
"1001381","3.96","0.02","3.96","0.02","19.82","0.04","90","","90","","120","","269.2","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium uranium(VI) oxide (1/1/3.5)","","- K O3.5 U -","- K O3.5 U1.002 -","- K3 O10.5 U3.006 -","3","0.0833333","","Jove, J; Cousson, A; Gasperin, M","Synthesis and crystal structure of K~2~ U~2~ O~7~ and Moessbauer (^237^Np) studies of K~2~ Np~2~ O~7~ and Ca Np O~4~","Journal of the Less-Common Metals","1988","139","","345","350","10.1016/0022-5088(88)90016-1","","","","","","0.0445","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001382","9.265","","10.945","","3.01","","90","","90","","90","","305.2","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Calcium iron(III) tin(IV) oxide (.75/1.5/.5/4)","","- Ca0.75 Fe1.5 O4 Sn0.5 -","- Ca0.75 Fe1.5 O4 Sn0.5 -","- Ca3 Fe6 O16 Sn2 -","4","0.5","","Archaimbault, F.; Odier, P.; Choisnet, J.","Non-stoichiometric compounds with a defect CaFe~2~O~4~ structure: The mixed ferrites Ca~1-x/2~Fe~2-x~Sn~x~O~4~ and Ca~1-(x+y)/2~Li~y~Fe~2-x~Sn~x~O~4~","Solid State Ionics","1988","28","","1357","1363","10.1016/0167-2738(88)90387-6","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","200092","2020-10-21","18:00:00",""
"1001383","8.62","0.02","21.61","0.04","3.811","0.004","90","","90","","90","","709.9","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Barium bistriniobate hydrate","","- Ba H2 Nb6 O17 -","- Ba H2 Nb6 O17 -","- Ba2 H4 Nb12 O34 -","2","0.125","","Nedjar, R; Borel, M M; Leclaire, A; Raveau, B","Ba (Nb~3~ O~8~)~2~ * (H~2~ O): A novel lamellar niobate","Materials Research Bulletin","1988","23","","495","500","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001384","8.697","0.001","5.239","0.007","13.293","0.003","90","","116.54","0.01","90","","541.9","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium titanium(III) diphosphate - $-alpha","","- Na O7 P2 Ti -","- Na O7 P2 Ti -","- Na4 O28 P8 Ti4 -","4","1","","Leclaire, A; Benmoussa, A; Borel, M M; Grandin, A; Raveau, B","Two forms of sodium titanium(III) diphosphate: $-alpha-Na Ti P~2~ O~7~ closely related to $-beta-Cristobalite and $-beta-Na Ti P~2~ O~7~ isotypic with Na Fe P~2~ O~7~","Journal of Solid State Chemistry","1988","77","","299","305","10.1016/0022-4596(88)90252-6","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001385","7.394","0.001","7.936","0.003","9.726","0.003","90","","111.85","0.02","90","","529.7","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium titanium(III) diphosphate - $-beta","","- Na O7 P2 Ti -","- Na O7 P2 Ti -","- Na4 O28 P8 Ti4 -","4","1","","Leclaire, A; Benmoussa, A; Borel, M M; Grandin, A; Raveau, B","Two forms of sodium titanium(III) diphosphate: $-alpha-Na Ti P~2~ O~7~ closely related to $-beta-Cristobalite and $-beta-Na Ti P~2~ O~7~ isotypic with Na Fe P~2~ O~7~","Journal of Solid State Chemistry","1988","77","","299","305","10.1016/0022-4596(88)90252-6","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001386","11.86","0.003","5.516","0.001","6.928","0.001","90","","90","","90","","453.2","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tantalum vanadium oxide","","- O5 Ta V -","- O5 Ta V -","- O20 Ta4 V4 -","4","0.5","","Chahboun, H; Groult, D; Raveau, B","Ta V O~5~, a novel derivative of the series of monophosphate tungsten bronzes (P O~2~)~4~ (W O~3~)~2m~","Materials Research Bulletin","1988","23","","805","812","10.1016/0025-5408(88)90073-6","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001387","7.944","0.001","7.944","0.001","7.944","0.001","90","","90","","90","","501.3","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Molybdenum(IV) diphosphate","","- Mo O7 P2 -","- Mo O7 P2 -","- Mo4 O28 P8 -","4","0.166667","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","Structure of molybdenum (IV) diphosphate Mo P~2~ O~7~","European Journal of Solid State Inorganic Chemistry","1988","25","","323","327","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001388","7.3523","0.0007","9.9875","0.0006","8.1872","0.0011","90","","106.498","0.009","90","","576.4","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Potassium iron(III) diphosphate","","- Fe K O7 P2 -","- Fe K O7 P2 -","- Fe4 K4 O28 P8 -","4","1","","Riou, D; Labbe, Ph; Goreaud, M","The diphosphate K Fe P~2~ O~7~: Structure and possibilities for insertion in the host framework","European Journal of Solid State Inorganic Chemistry","1988","25","","215","229","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001389","7.23","0.005","12.608","0.009","9.199","0.007","90","","90","","90","","838.5","","","","","","","","","","","","","3","P 21 c n","P -2n 2a","33","","Rubidium tetrachlorozincate","","- Cl4 Rb2 Zn -","- Cl4 Rb2 Zn -","- Cl16 Rb8 Zn4 -","4","1","","Hedoux, A; Grebille, D; Jaud, J; Godefroy, G","Structural study of the incommensurate and lock-in phases of Rb~2~ Zn Cl~4~","Acta Crystallographica B (39,1983-)","1989","45","","370","378","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001390","7.253","0.005","12.646","0.009","9.221","0.007","90","","90","","90","","845.8","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Rubidium tetrachlorozincate","","- Cl4 Rb2 Zn -","- Cl4 Rb2 Zn -","- Cl16 Rb8 Zn4 -","4","0.5","","Hedoux, A; Grebille, D; Jaud, J; Godefroy, G","Structural study of the incommensurate and lock-in phases of Rb~2~ Zn Cl~4~","Acta Crystallographica B (39,1983-)","1989","45","","370","378","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001391","7.5237","0.0006","10.3537","0.0008","8.3998","0.0008","90","","105.832","0.0069","90","","629.5","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Rubidium molybdenum(III) diphosphate","","- Mo O7 P2 Rb -","- Mo O7 P2 Rb -","- Mo4 O28 P8 Rb4 -","4","1","","Riou, D; Leclaire, A; Grandin, A; Raveau, B","Structure of a diphosphate of trivalent molybdenum Rb Mo P~2~ O~7~","Acta Crystallographica C (39,1983-)","1989","45","","989","991","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001392","5.861","0.002","20.2","0.006","4.501","","90","","90","","90","","532.9","","","","","","","","","","","","","4","P m n n","-P 2n 2","58","","Nickel borouranate * 00000100","","- B4 Ni7 O16 U -","- B4 Ni7 O16 U -","- B8 Ni14 O32 U2 -","2","0.25","","Gasperin, M","Synthese et structure du tetraborouranate de nickel, Ni~7~ B~4~ U O~16~","Acta Crystallographica C (39,1983-)","1989","45","","981","983","","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001393","8.818","0.0006","9.1574","0.0008","12.3836","0.0008","90","","90","","90","","1000","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Potassium molybdenum(IV) tungsten(IV) phosphate *","","- K Mo O12 P3 W -","- K Mo O12 P3 W -","- K4 Mo4 O48 P12 W4 -","4","0.5","","Benmoussa, A; Leclaire, A; Grandin, A; Raveau, B","K Mo W P~3~ O~12~, a tunnel structure of the K Mo~2~ P~3~ O~12~ - type","Acta Crystallographica C (39,1983-)","1989","45","","1277","1279","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001394","8.415","0.002","5.215","0.002","11.19","0.001","77.77","0.02","77.77","0.01","73.11","0.02","453.2","","","","","","","","","","","","","4","P -1","-P 1","2","","Dimolybdenum(V) silicophosphate","","- Mo2 O23 P4 Si4 -","- Mo2 O23 P4 Si4 -","- Mo2 O23 P4 Si4 -","1","0.5","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","Mo~2~ P~4~ Si~4~ O~23~, a Molybdenum (V) Silicophosphate Related to the $-beta-Cristobalite","Journal of Solid State Chemistry","1989","80","","250","255","10.1016/0022-4596(89)90087-X","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001395","9.8559","0.0006","9.8559","0.0006","9.8559","0.0006","90","","90","","90","","957.4","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Potassium titanium(III) titanium(IV) phosphate (1.75/1/1/3)","","- K1.75 O12 P3 Ti2 -","- K1.75 O12 P3 Ti2 -","- K7 O48 P12 Ti8 -","4","0.333333","","Leclaire, A; Benmoussa, A; Borel, M M; Grandin, A; Raveau, B.","K~2-x~ Ti~2~ (P O~4~)~3~ with 0< x< 0.5: A Mixed-Valence Nonstoichiometric Titanophosphate with Langbeinite Structure","Journal of Solid State Chemistry","1989","78","","227","231","10.1016/0022-4596(89)90101-1","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001396","9.8688","0.0006","9.8688","0.0006","9.8688","0.0006","90","","90","","90","","961.2","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Dipotassium titanium(III) titanium(IV) tris(phosphate)","","- K2 O12 P3 Ti2 -","- K2 O12 P3 Ti2 -","- K8 O48 P12 Ti8 -","4","0.333333","","Leclaire, A; Benmoussa, A; Borel, M M; Grandin, A; Raveau, B.","K~2-x~ Ti~2~ (P O~4~)~3~ with 0< x< 0.5: A Mixed-Valence Nonstoichiometric Titanophosphate with Langbeinite Structure","Journal of Solid State Chemistry","1989","78","","227","231","10.1016/0022-4596(89)90101-1","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001397","5.6479","0.0002","5.6672","0.0002","7.9859","0.0002","90","","90.1","0.01","90","","255.6","","","","","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","Barium lanthanum zinc ruthenate(V)","","- Ba La O6 Ru Zn -","- Ba La O6 Ru Zn -","- Ba2 La2 O12 Ru2 Zn2 -","2","0.25","","Battle, P D; Gibb, T C; Jones, C W; Studer, F","Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~","Journal of Solid State Chemistry","1989","78","","281","293","10.1016/0022-4596(89)90109-6","","","","","","0.104","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001398","5.6364","0.0002","5.6621","0.0002","7.9686","0.0002","90","","90.077","0.007","90","","254.3","","","","","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","Barium lanthanum zinc ruthenate(V)","","- Ba La O6 Ru Zn -","- Ba La O6 Ru Zn -","- Ba2 La2 O12 Ru2 Zn2 -","2","0.25","","Battle, P D; Gibb, T C; Jones, C W; Studer, F","Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~","Journal of Solid State Chemistry","1989","78","","281","293","10.1016/0022-4596(89)90109-6","","","","","","0.102","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001399","5.5379","0.0003","5.5429","0.0003","7.8772","0.0001","90","","90.11","0.01","90","","241.8","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Distrontium iron(III) ruthenate(V)","","- Fe O6 Ru Sr2 -","- Fe O6 Ru Sr2 -","- Fe2 O12 Ru2 Sr4 -","2","0.25","","Battle, P D; Gibb, T C; Jones, C W; Studer, F","Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~","Journal of Solid State Chemistry","1989","78","","281","293","10.1016/0022-4596(89)90109-6","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001400","5.5092","0.0003","5.5138","0.0003","7.8752","0.0001","90","","90.13","0.01","90","","239.2","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Distrontium iron(III) ruthenate(V)","","- Fe O6 Ru Sr2 -","- Fe O6 Ru Sr2 -","- Fe2 O12 Ru2 Sr4 -","2","0.25","","Battle, P D; Gibb, T C; Jones, C W; Studer, F","Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~","Journal of Solid State Chemistry","1989","78","","281","293","10.1016/0022-4596(89)90109-6","","","","","","0.108","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001401","5.6093","0.0003","5.6154","0.0003","7.9571","0.0002","90","","90.16","0.01","90","","250.6","","","","","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","Barium lanthanum nickel ruthenate(V)","","- Ba La Ni O6 Ru -","- Ba La Ni O6 Ru -","- Ba2 La2 Ni2 O12 Ru2 -","2","0.25","","Battle, P D; Gibb, T C; Jones, C W; Studer, F","Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~","Journal of Solid State Chemistry","1989","78","","281","293","10.1016/0022-4596(89)90109-6","","","","","","0.093","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001402","5.5964","0.0002","5.5879","0.0002","7.9319","0.0001","89.803","0.007","90.1","0.02","90.09","0.01","248","","","","","","","","","","","","","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","Barium lanthanum nickel hexaoxoruthenate(V)","","- Ba La Ni O6 Ru -","- Ba La Ni O6 Ru -","- Ba2 La2 Ni2 O12 Ru2 -","2","","","Battle, P D; Gibb, T C; Jones, C W; Studer, F","Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~","Journal of Solid State Chemistry","1989","78","","281","293","10.1016/0022-4596(89)90109-6","","","","","","0.096","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001403","3.842","0.001","3.842","0.001","27.66","0.01","90","","90","","90","","408.3","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Lead barium yttrium strontium copper oxide (.92/.92.1.15/1.15/3/8)","","- Ba0.92 Cu3 O8 Pb0.92 Sr1.15 Y1.15 -","- Ba0.92 Cu3 O8 Pb0.92 Sr1.15 Y1.15 -","- Ba1.84 Cu6 O16 Pb1.84 Sr2.3 Y2.3 -","2","0.0625","","Rouillon, T; Retoux, R; Groult, D; Michel, C; Hervieu, M; Provost, J; Raveau, B","Pb Ba Y Sr Cu~3~ O~8~: A New Member of the Intergrowth Family (A Cu O~3- x~)~m~ (A' O)~n~","Journal of Solid State Chemistry","1989","78","","322","325","10.1016/0022-4596(89)90116-3","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001404","3.741","","3.741","","8.875","","90","","90","","90","","124.2","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium(III) praseodymium strontium copper oxide (.8/.6/1.6/1/5)","","- Cu O5 Pr0.6 Sr1.6 Tl0.8 -","- Cu O5 Pr0.6 Sr1.6 Tl0.8 -","- Cu O5 Pr0.6 Sr1.6 Tl0.8 -","1","0.0625","","Bourgault, D; Martin, C; Michel, C; Hervieu, M; Provost, J; Raveau, B","Tl~1-x~ Pr~x~ Sr~2-y~ Pr~y~ Cu O~5-$~-delta: First Member of the Family Tl A~2~ Ca~m-1~ Cu~m~ O~2m+ ~(A= Ba, Sr)","Journal of Solid State Chemistry","1989","78","","326","328","10.1016/0022-4596(89)90117-5","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001405","7.3758","0.0007","10.348","0.001","8.351","0.002","90","","106.88","0.01","90","","609.9","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Potassium molybdenum(III) diphosphate","","- K Mo O7 P2 -","- K Mo O7 P2 -","- K4 Mo4 O28 P8 -","4","1","","Leclaire, a; Borel, M M; Grandin, A; Raveau, B","Two Molybdenum Diphosphates with a Tunnel Structure Involving Mo(III): K Mo P~2~ O~7~ and K~.17~ Mo P~2~ O~7~","Journal of Solid State Chemistry","1989","78","","220","226","10.1016/0022-4596(89)90100-X","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001406","21.278","0.002","21.278","0.002","4.9209","0.0006","90","","90","","90","","2228","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Potassium molybdenum(III) diphosphate (0.25/1/1)","","- K0.25 Mo O7 P2 -","- K0.25 Mo O7 P2 -","- K4 Mo16 O112 P32 -","16","1","","Leclaire, a; Borel, M M; Grandin, A; Raveau, B","Two Molybdenum Diphosphates with a Tunnel Structure Involving Mo(III): K Mo P~2~ O~7~ and K~.17~ Mo P~2~ O~7~","Journal of Solid State Chemistry","1989","78","","220","226","10.1016/0022-4596(89)90100-X","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001407","13.3085","0.0009","14.7382","0.001","6.4615","0.0002","90","","90","","90","","1267.4","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Potassium triniobium trisphosphate oxide","","- K Nb3 O15 P3 -","- K Nb3 O15 P3 -","- K4 Nb12 O60 P12 -","4","0.5","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A Niobium Phosphate Bronze with a Tunnel Structure: K Nb~3~ P~3~ O~15~","Journal of Solid State Chemistry","1989","80","","12","16","10.1016/0022-4596(89)90026-1","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001408","6.3847","0.0009","19.088","0.002","9.7366","0.0009","90","","107.05","0.01","90","","1134.5","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Tetrarubidium octamolybenum(V) dodecaphosphate oxide","","- Mo8 O52 P12 Rb4 -","- Mo8 O52 P12 Rb4 -","- Mo8 O52 P12 Rb4 -","1","0.5","","Riou, D; Goreaud, M","Rb~4~ Mo~8~ P~12~ O~52~, a Molybdenophosphate of the Cs~4~ Mo~8~ P~12~ O~52~ Type: Structure and Properties of Host Framework","Journal of Solid State Chemistry","1989","79","","99","106","10.1016/0022-4596(89)90254-5","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001409","5.385","","5.424","","30.316","","90","","90","","90","","885.5","","","","","","","","","","","","","6","F m m m","-F 2 2","69","","Bismuth lead distrontium yttrium dicopper oxide","","- Bi Cu2 O8 Pb Sr2 Y -","- Bi Cu2 O8 Pb Sr2 Y -","- Bi4 Cu8 O32 Pb4 Sr8 Y4 -","4","0.125","","Retoux, R; Caignaert, V; Provost, J; Michel, C; Hervieu, M; Raveau, B","Superconducting properties and Structural Study of Bi~2-x~ Pb~x~ Sr~2~ Ca~1-x~ Y~x~ Cu~2~ O~8~ (0< x< 1)","Journal of Solid State Chemistry","1989","79","","157","168","10.1016/0022-4596(89)90261-2","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001410","8.258","0.005","8.271","0.005","8.25","0.005","90","","91.78","","90","","563.2","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sodium calcium uranium oxide (8/3.1/3.7/17.5)","","- Ca3.11 Na8 O17.52 U3.7 -","- Ca3.112 Na8 O17.52 U3.688 -","- Ca3.112 Na8 O17.52 U3.688 -","1","0.25","","Gasperin, M; Cousson, A; He, L; Jove, J","Structure d'un Oxyde d'Uranium a Valence Mixte et Etude par Spectroscopie Mossbauer (^237^Np) d'un Oxyde Isotype de Neptunium","Journal of the Less-Common Metals","1989","152","","339","348","10.1016/0022-5088(89)90101-X","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001411","3.795","0.001","3.795","0.001","12.094","0.005","90","","90","","90","","174.2","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium lead strontium calcium copper oxide *","","- Ca0.91 Cu2 O7 Pb0.5 Sr2 Tl0.59 -","- Ca0.91 Cu2 O7 Pb0.5 Sr2 Tl0.59 -","- Ca0.91 Cu2 O7 Pb0.5 Sr2 Tl0.59 -","1","0.0625","","Martin, C; Provost, J; Bourgault, D; Domenges, B; Michel, C; Hervieu, M; Raveau, B","Structural peculiarities of the ""1212"" superconductor Tl~.5~ Pb~.5~ Sr~2~ Ca Cu~2~ O~5~","Physica C (Amsterdam) (152,1988-)","1989","157","","460","468","10.1016/0921-4534(89)90271-2","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001412","3.817","","3.817","","11.907","","90","","90","","90","","173.5","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Lead strontium yttrium calcium copper oxide (.5/2.5/.5/.5/ 2/6.3)","","- Ca0.5 Cu2 O6.3 Pb0.46 Sr2.46 Y0.5 -","- Ca0.5 Cu2 O6.3 Pb0.46 Sr2.46 Y0.5 -","- Ca0.5 Cu2 O6.3 Pb0.46 Sr2.46 Y0.5 -","1","0.0625","","Rouillon, T.; Provost, J.; Hervieu, M.; Groult, D.; Michel, C.; Raveau, B.","Superconductivity up to 100 K in lead cuprates: A new superconductor Pb~0.5~Sr~2.5~Y~0.5~Ca~0.5~Cu~2~O~7-δ~","Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands)","1989","159","3","201","209","10.1016/0921-4534(89)90370-5","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","200133","2020-10-21","18:00:00",""
"1001413","5.767","0.002","10.574","0.003","6.835","0.002","90","","105.04","0.03","90","","402.5","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium borouranate","","- B Li O5 U -","- B Li O5 U -","- B4 Li4 O20 U4 -","4","1","","Gasperin, M","Synthese et structure du borouranate de lithium LiBUO~5~","Acta Crystallographica C (39,1983-)","1990","46","","372","374","","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1001414","8.803","0.0008","8.803","0.0008","8.697","0.0006","90","","90","","90","","674","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","Molybdenum(V) nonaoxoalumodiphosphate","","- Al Mo O9 P2 -","- Al Mo O9 P2 -","- Al4 Mo4 O36 P8 -","4","0.25","","Leclaire, A; Borel, M; Grandin, A; Raveau, B","Mo Al P~2~ O~9~ molybdenum(V)aluminophosphate isostructural with VSiP~2~O~9~","Zeitschrift fuer Kristallographie (149,1979-)","1990","190","","135","142","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001415","12.999","0.003","12.999","0.003","12.999","0.003","90","","90","","90","","2196.5","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Mercury arsenide iodide (4/2/3)","","- As2 Hg4 I3 -","- As2 Hg4 I3 -","- As16 Hg32 I24 -","8","0.333333","","Labbe, P; Ledesert, M; Raveau, B; Rebbah, A","Crystal structure of Hg~4~ As~2~ I~3~","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","117","123","10.1524/zkri.1989.187.1-2.117","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001416","5.586","0.003","5.586","0.003","22.017","0.003","90","","90","","120","","595","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Lanthanum iron aluminium oxide (1/1/11/19)","","- Al11 Fe La0.96 O19 -","- Al10.99 Fe1.01 La0.965 O19 -","- Al21.98 Fe2.02 La1.93 O38 -","2","0.0833333","","Tronc, E; Laville, F; Gasperin, M; Lejus, A M; Vivien, D","Structural and Spectroscopic Investigations of La Fe Al~11~ O~19~ Compounds","Journal of Solid State Chemistry","1989","81","","192","202","10.1016/0022-4596(89)90006-6","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001417","36.883","0.003","10.603","0.001","6.4526","0.0005","90","","90","","90","","2523.4","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Potassium niobium phosphorus oxide (7/14.1/8.9/60)","","- K7 Nb14.13 O60 P8.87 -","- K7 Nb14.136 O60 P8.864 -","- K14 Nb28.272 O120 P17.728 -","2","0.25","","Leclaire, A; Benabbas, A; Borel, M M; Grandin, A; Raveau, B","A Niobium Phosphate Bronze Closely Related to the ITB Tumgsten Bronzes: K~7~ Nb~14+x~ P~9-x~ O~6~$0 (x= 0.13)","Journal of Solid State Chemistry","1989","83","","245","254","10.1016/0022-4596(89)90174-6","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001418","13.112","0.005","12.486","0.002","17.031","0.003","90","","119.9","0.02","90","","2417.1","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Mercury phosphide iodide (9/5/6)","","- Hg9 I6 P5 -","- Hg9 I6 P5 -","- Hg36 I24 P20 -","4","1","","Ledesert, M; Rebbah, A; Labbe, P","Hg~9~P~5~I~6~: a new mercury(I,II) structural determination","Zeitschrift fuer Kristallographie (149,1979-)","1990","192","","223","231","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001420","3.86","","3.86","","29.388","","90","","90","","90","","437.9","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Thallium barium calcium copper oxide (1.9/2/1.1/2/8)","","- Ba2 Ca1.07 Cu2 O8 Tl1.93 -","- Ba2 Ca1.07 Cu2 O8 Tl1.93 -","- Ba4 Ca2.14 Cu4 O16 Tl3.86 -","2","0.0625","","Maignan, A; Michel, C; Hervieu, M; Martin, C; Groult, D; Raveau, B","Tl~2~Ba~2~CaCu~2~O~8~: structure and superconductivity","Modern Physics Letters B","1988","2","","681","687","10.1142/S0217984988000345","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001421","3.865","0.001","3.865","0.001","11.852","0.003","90","","90","","90","","177","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Yttrium dibarium tricopper hexaoxide","","- Ba2 Cu3 O6 Y -","- Ba2 Cu3 O6 Y -","- Ba2 Cu3 O6 Y -","1","0.0625","","Roth, G.; Renker, B.; Heger, G.; Hervieu, M.; Domengès, B.; Raveau, B.","On the structure of non-superconducting YBa~2~Cu~3~O~6+ε~","Zeitschrift für Physik B: Condensed Matter","1987","69","1","53","59","10.1007/bf01560609","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","200100","2020-10-21","18:00:00",""
"1001422","3.863","0.001","3.863","0.001","11.626","0.003","90","","90","","90","","173.5","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper iron oxide (1/2/2.8/0.2/6.9)","","- Ba2 Cu2.79 Fe0.15 O6.92 Y -","- Ba2 Cu2.8 Fe0.16 O6.92 Y -","- Ba2 Cu2.8 Fe0.16 O6.92 Y -","1","0.0625","","Roth, G; Heger, G; Renker, B; Pannetier, J; Caignaert, V; Hervieu, M; Raveau, B","Crystallographic study of tetragonal, superconducting YBa~2~(Cu~0.93~Fe~0.05~)~3~O~7~","Zeitschrift fuer Physik, B (1984-)","1988","71","","43","52","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001423","3.858","0.001","3.858","0.001","11.585","0.003","90","","90","","90","","172.4","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper iron oxide (1/2/2.8/0.2/6.96)","","- Ba2 Cu2.79 Fe0.15 O6.96 Y -","- Ba2 Cu2.8 Fe0.16 O6.96 Y -","- Ba2 Cu2.8 Fe0.16 O6.96 Y -","1","0.0625","","Roth, G; Heger, G; Renker, B; Pannetier, J; Caignaert, V; Hervieu, M; Raveau, B","Crystallographic study of tetragonal, superconducting YBa~2~(Cu~0.93~Fe~0.05~)~3~O~7~","Zeitschrift fuer Physik, B (1984-)","1988","71","","43","52","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001424","3.862","0.001","3.862","0.001","11.673","0.003","90","","90","","90","","174.1","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper iron oxide (1/2/2.8/0.2/6.96)","","- Ba2 Cu2.79 Fe0.15 O6.96 Y -","- Ba2 Cu2.8 Fe0.16 O6.968 Y -","- Ba2 Cu2.8 Fe0.16 O6.968 Y -","1","0.0625","","Roth, G; Heger, G; Renker, B; Pannetier, J; Caignaert, V; Hervieu, M; Raveau, B","Crystallographic study of tetragonal, superconducting YBa~2~(Cu~0.93~Fe~0.05~)~3~O~7~","Zeitschrift fuer Physik, B (1984-)","1988","71","","43","52","","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001425","9.701","0.003","18.848","0.002","6.389","0.005","90","","106.96","0.03","90","","1117.4","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Potassium dimolybdo(V)phosphate diphosphate - β","","- K Mo2 O13 P3 -","- K Mo2 O13 P3 -","- K4 Mo8 O52 P12 -","4","1","","Leclaire, A.; Borel, M. M.; Grandin, A.; Raveau, B.","Structure of a Molybdenum(V) Phosphate β-KMo~2~P~3~O~13~","Acta Crystallographica, Section C: Crystal Structure Communications","1990","46","11","2009","2011","10.1107/s0108270189011339","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1001426","8.8518","0.0005","9.1453","0.0011","12.5174","0.0011","90","","90","","90","","1013.3","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Potassium molybdenum niobium oxide phosphate diphosphate *","","- K0.75 Mo Nb O12 P3 -","- K0.75 Mo Nb O12 P3 -","- K3 Mo4 Nb4 O48 P12 -","4","0.5","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","Non-stoichiometry in the KMo~2~P~3~O~12~-tunnel structure: the oxide K~0.75~MoNbP~3~O~12~","Acta Crystallographica C (39,1983-)","1990","46","","1381","1383","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001427","4.8171","0.0008","7.133","0.002","7.998","0.002","90.53","0.02","92.95","0.02","105.18","0.02","264.8","","","","","","","","","","","","","5","P -1","-P 1","2","","Potassium molybdenum aluminium phosphate (1/1.5/.5/4)","","- Al0.5 K Mo1.5 O14 P4 -","- Al0.5 K Mo1.5 O14 P4 -","- Al0.5 K Mo1.5 O14 P4 -","1","0.5","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","K~2~Mo~3~AlP~8~O~28~: a tunnel structure isotypic with Na0.5MoP~2~O~7~","Acta Crystallographica C (39,1983-)","1990","46","","1368","1370","","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1001428","5.2104","0.0004","8.0574","0.0005","12.344","0.001","90","","91.356","0.006","90","","518.1","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Calcium copper diphosphate","","- Ca Cu O7 P2 -","- Ca Cu O7 P2 -","- Ca4 Cu4 O28 P8 -","4","1","","Riou, D.; Goreaud, M.","CaCuP~2~O~7~:a structure closely related to α-Ca~2~P~2~O~7~","Acta Crystallographica, Section C: Crystal Structure Communications","1990","46","7","1191","1193","10.1107/s0108270189011704","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1001429","8.399","0.002","8.399","0.002","23.895","0.007","90","","90","","120","","1459.8","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Barium molybdenum phosphate (1/2/3)","","- Ba Mo2 O12 P3 -","- Ba Mo2 O12 P3 -","- Ba6 Mo12 O72 P18 -","6","0.166667","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A novel family of mixed valence molybdenum phosphates with a Nasicon structure, AMo~2~P~3~O~12~ (A= Ca, Sr, Ba)","European Journal of Solid State Inorganic Chemistry","1989","26","","45","51","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001430","7.3686","0.0003","10.0527","0.0005","8.1874","0.0004","90","","106.58","0.003","90","","581.3","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Potassium vanadium(III) diphosphate","","- K O7 P2 V -","- K O7 P2 V -","- K4 O28 P8 V4 -","4","1","","Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","Structure of KVP~2~O~7~","Acta Crystallographica C (39,1983-)","1991","47","","424","425","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001431","3.8519","0.0001","3.8519","0.0001","11.8037","0.0004","90","","90","","90","","175.1","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Yttrium barium copper oxide (1/2/3/6.04)","","- Ba2 Cu3 O6.04 Y -","- Ba2 Cu3 O6.04 Y -","- Ba2 Cu3 O6.04 Y -","1","0.0625","","Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E","Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases","American Chemical Society: Symposium Series","1987","351","","152","163","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001432","3.8657","0.0003","3.8657","0.0003","11.6015","0.0017","90","","90","","90","","173.4","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Yttrium barium copper oxide (1/2/3/7.3)","","- Ba2 Cu3 O7.34 Y -","- Ba2 Cu3 O7.34 Y -","- Ba2 Cu3 O7.34 Y -","1","0.0625","","Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E","Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases","American Chemical Society: Symposium Series","1987","351","","152","163","","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001433","3.9024","0.0002","3.9024","0.0002","11.6908","0.0009","90","","90","","90","","178","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Lanthanum barium copper oxide (1.5/1.5/3/7.4)","","- Ba1.5 Cu3 La1.5 O7.36 -","- Ba1.5 Cu3 La1.5 O7.36 -","- Ba1.5 Cu3 La1.5 O7.36 -","1","0.0625","","Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E","Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases","American Chemical Society: Symposium Series","1987","351","","152","163","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001434","3.8687","0.0002","9.915","0.0002","11.7477","0.0008","90","","90","","90","","450.6","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Neodymium barium copper oxide (1/2/3/6.9)","","- Ba2 Cu3 Nd O6.85 -","- Ba2 Cu3 Nd O6.85 -","- Ba2 Cu3 Nd O6.85 -","1","0.125","","Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E","Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases","American Chemical Society: Symposium Series","1987","351","","152","163","","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001435","3.8179","0.0001","3.8801","0.0002","11.6655","0.0006","90","","90","","90","","172.8","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.9)","","- Ba2 Cu3 O6.92 Y -","- Ba2 Cu3 O6.92 Y -","- Ba2 Cu3 O6.92 Y -","1","0.125","","Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E","Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases","American Chemical Society: Symposium Series","1987","351","","152","163","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001436","3.8123","0.0002","3.8756","0.0002","11.6576","0.0007","90","","90","","90","","172.2","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Erbium barium copper oxide (1/2/3/6.99)","","- Ba2 Cu3 Er O6.99 -","- Ba2 Cu3 Er O6.99 -","- Ba2 Cu3 Er O6.99 -","1","0.125","","Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E","Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases","American Chemical Society: Symposium Series","1987","351","","152","163","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001437","9.285","0.003","10.869","0.005","3.02","0.001","90","","90","","90","","304.8","","","","","","","","","","","","","5","P n a m","-P 2c 2n","62","","Hemicalcium hemilithium hemiiron(III) hemitin(IV) oxide","","- Ca0.5 Fe1.5 Li0.5 O4 Sn0.5 -","- Ca0.5 Fe1.5 Li0.5 O4 Sn0.5 -","- Ca2 Fe6 Li2 O16 Sn2 -","4","0.5","","Archaimbault, F; Choisnet, J; Hervieu, M; Raveau, B","De Nouveaux Ferrites de Calcium Substitues, Isotypes De Ca Fe~2~ O~4~: Les Oxydes Ca~1-x~ Li~x~ (Fe~2-x~ Sn~ ~x) O~4~ (0 < x <=0.60)","Annales de Chimie (Paris) (Vol=Year)","1987","12","","23","32","","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001438","11.1708","0.0006","9.9848","0.0009","9.196","0.0007","90","","90","","90","","1025.7","","","","","","","","","","","","","3","C c 2 a","C -2ac -2ac","41","","Lanthanum molybdenum oxide (1/7.7/14)","","- La Mo7.7 O14 -","- La Mo7.7 O14 -","- La4 Mo30.8 O56 -","4","","","Leligny, H; Ledesert, M; Labbe, P; Raveau, B; McCarroll, W H","Synthesis and structure of LaMo~7.7~O~14~, a novel compound containing an Mo~8~ cluster","Journal of Solid State Chemistry","1990","87","","35","43","10.1016/0022-4596(90)90062-3","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001439","4.8813","0.0006","7.011","0.0005","8.2563","0.0004","91.4","0.005","92.466","0.008","106.551","0.009","270.4","","","","","","","","","","","","","4","P -1","-P 1","2","","Sodium molybdenum diphosphate (.3/1/1)","","- Mo Na0.3 O7 P2 -","- Mo Na0.3 O7 P2 -","- Mo2 Na0.6 O14 P4 -","2","1","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","Na~x~MoP~2~O~7~, a mixed valence molybdenum diphosphate with a tunnel structure","Zeitschrift fuer Kristallographie (149,1979-)","1988","184","","247","255","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001440","6.3911","0.0008","7.9616","0.0005","9.4299","0.0014","67.614","0.009","69.348","0.012","79.327","0.008","414.4","","","","","","","","","","","","","4","P -1","-P 1","2","","Trimagnesium tetratitanium(III) hexakis(phosphate)","","- Mg3 O24 P6 Ti4 -","- Mg2.999 O24 P6 Ti4.001 -","- Mg2.999 O24 P6 Ti4.001 -","1","0.5","","Benmoussa, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","A new phosphate of trivalent titanium Mg~3~Ti~4~P~6~O~24~","Journal of Solid State Chemistry","1990","84","","299","307","10.1016/0022-4596(90)90328-U","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001441","14.7484","0.0009","31.582","0.002","9.3859","0.0006","90","","90","","90","","4371.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tripotassium hexaniobium tetraphosphate","","- K3 Nb6 O26 P4 -","- K3 Nb6 O26 P4 -","- K24 Nb48 O208 P32 -","8","1","","Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","A novel niobium phosphate bronze with a tunnel structure, K~3~Nb~6~P~4~O~26~, member n=infinity of the series (K~3~Nb~6~P~4~O~26~)n . KNb~2~PO~8~","Journal of Solid State Chemistry","1990","84","","365","374","10.1016/0022-4596(90)90334-T","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001442","3.8253","0.0003","3.8253","0.0003","11.891","0.001","90","","90","","90","","174","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Lead strontium yttrium copper oxide (.5/2.5/1/2/6.6)","","- Cu2 O6.6 Pb0.5 Sr2.5 Y -","- Cu2 O6.6 Pb0.5 Sr2.5 Y -","- Cu2 O6.6 Pb0.5 Sr2.5 Y -","1","0.0625","","Rouillon, T; Provost, J; Hervieu, M; Groult, D; Michel, C; Raveau, B","The solid solution Pb~0.5~Sr~2.5~Y~1-x~Ca~x~Cu~2~O~7-d~: Superconductivity and structure","Journal of Solid State Chemistry","1990","84","","375","385","10.1016/0022-4596(90)90335-U","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001443","11.545","0.003","6.937","0.002","10.263","0.003","90","","101.5","0.3","90","","805.4","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Thorium diborate","","- B2 O5 Th -","- B2 O5 Th -","- B16 O40 Th8 -","8","1","","Cousson, A; Gasperin, M","Synthese et structure du borate de thorium: ThB~2~O~5~","Acta Crystallographica C (39,1983-)","1991","47","","10","12","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001444","20.01","0.001","4.065","0.0002","7.2254","0.0004","90","","90","","90","","587.7","","","","","","","","","","","","","3","P m 2 a","P -2a -2a","28","","Tellurium molybdenum oxide (1/5/16)","","- Mo5 O16 Te -","- Mo5 O16 Te -","- Mo10 O32 Te2 -","2","0.5","","Forestier, P; Goreaud, M","Structure cristalline de l'oxyde a valence mixte TeMo~5~O~16~ orthorombique","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993)","1991","312","","1141","1145","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001445","6.352","0.003","7.448","0.005","10.991","0.006","75.08","0.05","85.33","0.04","79.1","0.04","493.1","","","","","","","","","","","","","4","P -1","-P 1","2","","Sodium dimolybdo(V)triphosphate - $-epsilon","","- Mo2 Na O13 P3 -","- Mo2 Na O13 P3 -","- Mo4 Na2 O26 P6 -","2","1","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","$-epsilon-NaMo~2~P~3~O~13~, a new structural form of the Mo(V) phosphates series AMo~2~^V^P~3~O~13~","Journal of Solid State Chemistry","1990","89","","10","15","10.1016/0022-4596(90)90288-9","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001446","6.3682","0.0005","22.2546","0.0011","8.6172","0.0008","90","","126.139","0.007","90","","986.3","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium dimolybdo(V)triphosphate - ζ","","- Mo2 Na O13 P3 -","- Mo2 Na O13 P3 -","- Mo8 Na4 O52 P12 -","4","1","","Costentin, G.; Borel, M. M.; Grandin, A.; Leclaire, A.; Raveau, B.","ζ-NaMo~2~P~3~O~13~, a second form of pentavalent molybdenum sodium phosphate","Journal of Solid State Chemistry","1990","89","","31","38","10.1016/0022-4596(90)90291-5","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","189459","2020-10-21","18:00:00",""
"1001447","8.4992","0.0007","15.339","0.0008","10.5913","0.0009","90","","90","","90","","1380.8","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Tetrasodium niobium phosphate (4/8/6)","","- Na4 Nb8 O35 P6 -","- Na4 Nb8 O35 P6 -","- Na8 Nb16 O70 P12 -","2","0.25","","Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","A niobium phosphate bronze closely related to the tungsten phosphate bronzes family: Na~4~Nb~8~P~6~O~35~","Journal of Solid State Chemistry","1990","89","","75","82","10.1016/0022-4596(90)90295-9","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001448","6.4394","0.0004","12.378","0.001","9.1613","0.0007","90","","123.92","0.01","90","","605.9","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Barium dimolybdo(V)tetraphosphate","","- Ba Mo2 O16 P4 -","- Ba Mo2 O16 P4 -","- Ba2 Mo4 O32 P8 -","2","0.5","","Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","A molybdenum V diphosphate, BaMo~2~P~4~O~16~","Journal of Solid State Chemistry","1990","89","","83","87","10.1016/0022-4596(90)90296-A","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001449","13.904","0.006","6.453","0.003","20.64","0.01","90","","125.05","0.01","90","","1516","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Tetrapotassium octaniobium pentaphosphate","","- K4 Nb8 O34 P5 -","- K4 Nb8 O34 P5 -","- K8 Nb16 O68 P10 -","2","0.5","","Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","The niobium phosphate bronze K~5-x~Nb~8~P~5~O~34~, a new tunnel structure, first member of the series (K~3~Nb~6~P~4~O~26~)~n~ . KNb~2~PO~8~","Journal of Solid State Chemistry","1990","87","","360","365","10.1016/0022-4596(90)90038-Y","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001450","13.4454","0.001","14.8114","0.0011","6.4422","0.0007","90","","90","","90","","1282.9","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Caesium niobium phosphate (1/3/3)","","- Cs Nb3 O15 P3 -","- Cs Nb3 O15 P3 -","- Cs4 Nb12 O60 P12 -","4","0.5","","Borel, M M; Grandin, A; Costentin, G; Leclaire, A; Raveau, B","A new series of bronzes and bronzoids with KNb~3~P~3~O~15~ structure","Materials Research Bulletin","1990","25","","1155","1160","10.1016/0025-5408(90)90145-R","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001451","4.8229","0.0002","8.0813","0.0005","6.9419","0.0006","90","","109.387","0.005","90","","255.2","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Lithium iron(III) diphosphate","","- Fe Li O7 P2 -","- Fe Li O7 P2 -","- Fe2 Li2 O14 P4 -","2","1","","Riou, D; Nguyen, N; Benloucif, R; Raveau, B","LiFeP~2~O~7~: Structure and magnetic properties","Materials Research Bulletin","1990","25","","1363","1369","10.1016/0025-5408(90)90218-Q","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001452","3.8128","0.0001","3.8806","0.0002","11.6303","0.0005","90","","90","","90","","172.1","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/7)","","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","1","0.125","","Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R","Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction","Europhysics Letters","1987","3","","1301","1307","10.1209/0295-5075/3/12/009","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001453","3.8124","0.0002","3.8807","0.0002","11.6303","0.0005","90","","90","","90","","172.1","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/7)","","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","1","0.125","","Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R","Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction","Europhysics Letters","1987","3","","1301","1307","10.1209/0295-5075/3/12/009","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001454","3.8131","0.0001","3.8806","0.0002","11.6329","0.0005","90","","90","","90","","172.1","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/7)","","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","1","0.125","","Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R","Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction","Europhysics Letters","1987","3","","1301","1307","10.1209/0295-5075/3/12/009","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001455","3.8141","0.0001","3.8812","0.0002","11.6395","0.0005","90","","90","","90","","172.3","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/7)","","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","1","0.125","","Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R","Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction","Europhysics Letters","1987","3","","1301","1307","10.1209/0295-5075/3/12/009","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001456","3.8164","0.0002","3.8824","0.0002","11.6546","0.0005","90","","90","","90","","172.7","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/7)","","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","1","0.125","","Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R","Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction","Europhysics Letters","1987","3","","1301","1307","10.1209/0295-5075/3/12/009","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001457","3.8206","0.0001","3.8851","0.0001","11.6757","0.0004","90","","90","","90","","173.3","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/7)","","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","1","0.125","","Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R","Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction","Europhysics Letters","1987","3","","1301","1307","10.1209/0295-5075/3/12/009","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001458","5.442","0.004","5.462","0.004","36.9","0.02","90","","90","","90","","1096.8","","","","","","","","","","","","","6","F m m m","-F 2 2","69","","Lead strontium neodymium cerium copper oxide (2/2/1/1/3/10.2)","","- Ce Cu3 Nd O10.2 Pb2 Sr2 -","- Ce Cu3 Nd O10.2 Pb2 Sr2 -","- Ce4 Cu12 Nd4 O40.8 Pb8 Sr8 -","4","0.125","","Rouillon, T.; Groult, D.; Hervieu, M.; Michel, C.; Raveau, B.","Pb~2~Sr~2~LnCeCu~3~O~10+δ~, a new member of the layered cuprates family, built up from double fluorite-type layers","Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands)","1990","167","1-2","107","111","10.1016/0921-4534(90)90493-X","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","200133","2020-10-21","18:00:00",""
"1001459","3.7701","0.0001","11.4381","0.0005","20.0938","0.0009","90","","90","","90","","866.5","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Strontium neodymium copper oxide (2/1/2/5.8)","","- Cu2 Nd O5.76 Sr2 -","- Cu2 Nd O5.76 Sr2 -","- Cu12 Nd6 O34.56 Sr12 -","6","0.375","","Caignaert, V; Retoux, R; Michel, C; Hervieu, M; Raveau, B","Neutron diffraction study of the layered cuprate Sr~2-x~Nd~1+x~Cu~2~O~6- y~","Physica C (Amsterdam) (152,1988-)","1990","167","","483","490","10.1016/0921-4534(90)90663-Y","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001460","8.767","0.0001","8.767","0.0001","8.767","0.0001","90","","90","","90","","673.8","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Barium bismuth bismuth(V) oxide (2.67/0.33/1/5.67)","","- Ba2.667 Bi1.333 O5.67 -","- Ba2.6667 Bi1.3333 O5.67 -","- Ba10.6668 Bi5.3332 O22.68 -","4","0.0208333","","Licheron, M; Gervais, F; Coutures, J; Choisnet, J","""Ba~2~BiO~4~"" surprisingly found as a cubic double perovskite Ba~2~(Ba~2/3~Bi~1/3~)BiO~6-d~","Solid State Communications","1990","75","9","759","763","10.1016/0038-1098(90)90241-3","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001461","13.352","0.001","14.76","0.001","6.457","0.007","90","","90","","90","","1272.5","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Rubidium niobium oxide phosphate (1/3/3/3)","","- Nb3 O15 P3 Rb -","- Nb3 O15 P3 Rb -","- Nb12 O60 P12 Rb4 -","4","0.5","","Borel, M M; Benabbas, A; Rebbah, H; Grandin, A; Leclaire, A; Raveau, B","A large family of niobium phosphate bronzes and bronzoids with KNb~3~P~3~O~15~ structure","European Journal of Solid State Inorganic Chemistry","1990","27","","525","535","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001462","5.565","0.003","5.565","0.003","21.89","0.05","90","","90","","120","","587.1","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Lanthanum gadolinium magnesium aluminium oxide (.4/.5/.6/11/18.5)","","- Al11 Gd0.46 La0.43 Mg0.635 O18.46 -","- Al11.003 Gd0.462 La0.43 Mg0.635 O18.46 -","- Al22.006 Gd0.924 La0.86 Mg1.27 O36.92 -","2","0.0833333","","Salem, Y; Linares, C; Jacquier, B; Saine, M C; Gasperin, M; Lejus, A M; Vivien, D","The sites of Gd^3+^ in the luminescent matrix La~1- x~Gd~x~MgAl~11~O~19~: single crystal structure determination and site- selective excitation of Gd^3+^","Journal of Chemical Physics","1990","93","10","7076","7084","10.1063/1.459430","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001463","9.7536","0.0003","19.064","0.0016","6.3945","0.0007","90","","107.099","0.007","90","","1136.5","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Thallium dimolybdo(V)phosphatediphosphate - β","","- Mo2 O13 P3 Tl -","- Mo2 O13 P3 Tl -","- Mo8 O52 P12 Tl4 -","4","1","","Costentin, G.; Borel, M. M.; Grandin, A.; Leclaire, A.; Raveau, B.","Stucture of β-TlMo~2~P~3~O~13~","Acta Crystallographica, Section C: Crystal Structure Communications","1991","47","6","1136","1138","10.1107/s0108270190013282","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","200074","2020-10-21","18:00:00",""
"1001464","12.764","0.0008","10.5153","0.0009","6.3648","0.0004","90","","90","","90","","854.3","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Potassium vanadium(IV) oxide phosphate","","- K O5 P V -","- K O5 P V -","- K8 O40 P8 V8 -","8","2","","Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","KVPO~5~, an intersecting tunnel structure closely related to the hexagonal tungsten bronze","Acta Crystallographica C (39,1983-)","1991","47","","1138","1141","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001465","6.977","0.001","8.33","0.002","9.032","0.009","90","","113.74","0.01","90","","480.5","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Magnesium cobalt diphosphate (1.1/0.9/1)","","- Co0.92 Mg1.08 O7 P2 -","- Co0.92 Mg1.08 O7 P2 -","- Co3.68 Mg4.32 O28 P8 -","4","1","","Riou, D; Leclaire, A; Raveau, B","Structure of a cobalt magnesium diphosphate: (Mg~x~Co~1-x~)~2~P~2~O~7~","Acta Crystallographica C (39,1983-)","1991","47","","1583","1585","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001466","5.3165","0.0004","8.2574","0.0005","12.6755","0.0007","90","","90.133","0.005","90","","556.5","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Strontium cobalt diphosphate","","- Co O7 P2 Sr -","- Co O7 P2 Sr -","- Co4 O28 P8 Sr4 -","4","1","","Riou, D; Raveau, B","Structure of SrCoP~2~O~7~","Acta Crystallographica C (39,1983-)","1991","47","","1708","1709","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001467","8.3068","0.0008","6.5262","0.0006","10.7181","0.0011","90","","106.705","0.0078","90","","556.5","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimolybdenum(V) dioxide tetraphosphate","","- Mo2 O15 P4 -","- Mo2 O15 P4 -","- Mo4 O30 P8 -","2","0.5","","Costentin, G; Leclaire, A; Borel, M M; Grandin, A; Raveau, B","Determination of the crystal structure of Mo(V)~2~P~4~O~15~","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","53","58","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001468","6.5296","0.0004","8.4643","0.0007","7.1228","0.0006","90","","115.237","0.006","90","","356.1","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Sodium vanadato(IV)phosphate","","- Na O5 P V -","- Na O5 P V -","- Na2 O10 P2 V2 -","2","1","","Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","Synthesis and crystal structure of a new vanadium IV phosphate: NaVPO~5~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993)","1992","314","","585","589","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001469","8.4088","0.0003","8.4088","0.0003","8.4088","0.0003","90","","90","","90","","594.6","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Dibarium cerium(IV) platinum(IV) oxide","","- Ba2 Ce O6 Pt -","- Ba2 Ce O6 Pt -","- Ba8 Ce4 O24 Pt4 -","4","0.0208333","","Ouchetto, K; Archaimbault, F; Pineau, A; Choisnet, J","Chemical and structural characterization of a new barium ceroplatinate: Ba~2~CePtO~6~ a double perovskite mixed oxide","Journal of Materials Science. Letters","1991","10","","1277","1279","10.1007/BF00720945","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001470","12.079","0.002","16.348","0.004","4.0988","0.0005","90","","90","","90","","809.4","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Bismuth lanthanum oxide (8/10/27)","","- Bi8 La10 O27 -","- Bi8 La10 O27 -","- Bi8 La10 O27 -","1","0.0625","","Michel, C; Caignaert, V; Raveau, B","An oxygen deficient fluorite with a tunnel structure: Bi~8~La~10~O~27~","Journal of Solid State Chemistry","1991","90","","296","301","10.1016/0022-4596(91)90146-9","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001471","12.079","0.002","16.348","0.004","4.0988","0.0005","90","","90","","90","","809.4","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Bismuth lanthanum oxide (8/10/27)","","- Bi8 La10 O27 -","- Bi8 La10 O27 -","- Bi8 La10 O27 -","1","0.0625","","Michel, C; Caignaert, V; Raveau, B","An oxygen deficient fluorite with a tunnel structure: Bi~8~La~10~O~27~","Journal of Solid State Chemistry","1991","90","","296","301","10.1016/0022-4596(91)90146-9","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001472","5.7626","0.0002","5.7681","0.0002","8.1489","0.0002","90","","90.19","0.01","90","","270.9","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Strontium erbium ruthenate(V)","","- Er O6 Ru Sr2 -","- Er O6 Ru Sr2 -","- Er2 O12 Ru2 Sr4 -","2","0.5","","Battle, P D; Jones, C W; Studer, F","The crystal and magnetic structures of Ca~2~NdRuO~6~,Ca~2~HoRuO~6~ and Sr~2~ErRuO~6~","Journal of Solid State Chemistry","1991","90","","302","312","10.1016/0022-4596(91)90147-A","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001473","5.75","0.0002","5.7636","0.0002","8.1354","0.0003","90","","90.22","0.01","90","","269.6","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Distrontium erbium ruthenate(V)","","- Er O6 Ru Sr2 -","- Er O6 Ru Sr2 -","- Er2 O12 Ru2 Sr4 -","2","0.5","","Battle, P D; Jones, C W; Studer, F","The crystal and magnetic structures of Ca~2~NdRuO~6~,Ca~2~HoRuO~6~ and Sr~2~ErRuO~6~","Journal of Solid State Chemistry","1991","90","","302","312","10.1016/0022-4596(91)90147-A","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001474","5.5564","0.0001","5.8296","0.0001","8.0085","0.0001","90","","90.07","0.01","90","","259.4","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dicalcium neodymium ruthenate(V)","","- Ca2 Nd O6 Ru -","- Ca2 Nd O6 Ru -","- Ca4 Nd2 O12 Ru2 -","2","0.5","","Battle, P D; Jones, C W; Studer, F","The crystal and magnetic structures of Ca~2~NdRuO~6~,Ca~2~HoRuO~6~ and Sr~2~ErRuO~6~","Journal of Solid State Chemistry","1991","90","","302","312","10.1016/0022-4596(91)90147-A","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001475","5.5439","0.0001","5.8282","0.0001","7.9931","0.0001","90","","90.06","0.01","90","","258.3","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dicalcium neodymium ruthenate(V)","","- Ca2 Nd O6 Ru -","- Ca2 Nd O6 Ru -","- Ca4 Nd2 O12 Ru2 -","2","0.5","","Battle, P D; Jones, C W; Studer, F","The crystal and magnetic structures of Ca~2~NdRuO~6~,Ca~2~HoRuO~6~ and Sr~2~ErRuO~6~","Journal of Solid State Chemistry","1991","90","","302","312","10.1016/0022-4596(91)90147-A","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001476","5.4991","0.0001","5.7725","0.0001","7.9381","0.0002","90","","90.18","0.01","90","","252","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dicalcium holmium ruthenate(V)","","- Ca2 Ho O6 Ru -","- Ca2 Ho O6 Ru -","- Ca4 Ho2 O12 Ru2 -","2","0.5","","Battle, P D; Jones, C W; Studer, F","The crystal and magnetic structures of Ca~2~NdRuO~6~,Ca~2~HoRuO~6~ and Sr~2~ErRuO~6~","Journal of Solid State Chemistry","1991","90","","302","312","10.1016/0022-4596(91)90147-A","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001477","9.578","0.001","11.097","0.001","18.127","0.002","90","","121.67","0.01","90","","1639.8","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Potassium tecto-divanadato(III)tetraphosphate","","- K6 O16 P4 V2 -","- K6 O16 P4 V2 -","- K24 O64 P16 V8 -","4","1","","Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","A new vanadium III potassium phosphate with a cage structure: K~6~V~2~P~4~O~16~","Journal of Solid State Chemistry","1991","91","","264","270","10.1016/0022-4596(91)90080-2","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001478","10.612","0.001","10.612","0.001","6.384","0.001","90","","90","","90","","718.9","","","","","","","","","","","","","5","P -4 m 2","P -4 -2","115","","Potassium sodium niobium phosphate * - $-beta","","- K2 Na1.73 Nb8 O34 P5 -","- K2 Na1.73 Nb8 O34 P5 -","- K2 Na1.73 Nb8 O34 P5 -","1","0.125","","Benabbas, A; Borel, M M; Grandin, A; Chardon, J; Leclaire, A; Raveau, B","The niobium phosphate bronze $-beta-K~2~Na~2-x~Nb~8~P~5~O~34~, second form of the first member of the series (K~3~Nb~6~P~4~O~26~)~n~KNb~2~PO~8~","Journal of Solid State Chemistry","1991","91","","323","330","10.1016/0022-4596(91)90087-X","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001479","3.7431","0.0004","3.7431","0.0004","12.839","0.001","90","","90","","90","","179.9","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Neodymium strontium copper oxide (1/1/1/3.6)","","- Cu Nd O3.56 Sr -","- Cu Nd O3.56 Sr -","- Cu2 Nd2 O7.12 Sr2 -","2","0.0625","","Labbe, P; Ledesert, M; Caignaert, V; Raveau, B","Structural peculiarities of two layered cuprates, NdSrCuO~3.5~ and Nd~1.8~Sr~1.2~Cu~2~O~6-d~elta","Journal of Solid State Chemistry","1991","91","","362","369","10.1016/0022-4596(91)90091-U","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001480","3.8365","0.0004","3.8365","0.0004","19.652","0.002","90","","90","","90","","289.3","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Neodymium strontium copper oxide (1.8/1.2/2/6)","","- Cu2 Nd1.79 O6 Sr1.21 -","- Cu2 Nd1.79 O6 Sr1.21 -","- Cu4 Nd3.58 O12 Sr2.42 -","2","0.0625","","Labbe, P; Ledesert, M; Caignaert, V; Raveau, B","Structural peculiarities of two layered cuprates, NdSrCuO~3.5~ and Nd~1.8~Sr~1.2~Cu~2~O~6-d~elta","Journal of Solid State Chemistry","1991","91","","362","369","10.1016/0022-4596(91)90091-U","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001481","8.9185","0.0005","8.9185","0.0005","30.055","0.011","90","","90","","120","","2070.3","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Sodium phyllo-niobatophosphate *","","- Na6 Nb8 O35 P5 -","- Na6 Nb8 O35 P5 -","- Na18 Nb24 O105 P15 -","3","0.166667","","Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","A niobium phosphate ""bronze"" closely related to the Ba4/3Nb~6~Si4/4O~26~ structure: Na~6~Nb~8~P~5~O~35~","Journal of Solid State Chemistry","1991","92","","51","56","10.1016/0022-4596(91)90241-9","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001482","3.9025","0.0001","3.9025","0.0001","20.8955","0.0005","90","","90","","90","","318.2","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Barium neodymium cerium iron copper oxide (1/1/.9/1.1/.9/7)","","- Ba Ce0.9 Cu0.9 Fe1.1 Nd O7 -","- Ba Ce0.9 Cu0.9 Fe1.1 Nd O7 -","- Ba2 Ce1.8 Cu1.8 Fe2.2 Nd2 O14 -","2","0.0625","","Michel, C; Hervieu, M; Raveau, B","BaNdCe~0.9~Fe~1+x~Cu~1-x~O~7-d~: an intergrowth of the BaYFeCuO~5~ type and CeO~2~ fluorite type structures","Journal of Solid State Chemistry","1991","92","","339","351","10.1016/0022-4596(91)90342-F","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001483","3.811","0.0002","3.811","0.0002","31.556","0.002","90","","90","","90","","458.3","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Thallium(III) barium lanthanum copper oxide (1/1.6/2.4/2/9)","","- Ba1.6 Cu2 La2.4 O9 Tl -","- Ba1.6 Cu2 La2.4 O9 Tl -","- Ba3.2 Cu4 La4.8 O18 Tl2 -","2","0.0625","","Martin, C; Maignan, A; Huve, M; Hervieu, M; Michel, C; Raveau, B","TlBa~2-x~La~2+x~Cu~2~O~9+d~: a new 42K superconductor, intergrowth of ""1201"" and ""0201"" structures","Physica C (Amsterdam) (152,1988-)","1991","179","","1","8","10.1016/0921-4534(91)90003-H","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001484","3.85638","0.00005","3.85638","0.00005","12.6534","0.0002","90","","90","","90","","188.2","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium(III) barium calcium neodymium copper oxide (0.96/2/0.8/0.2/2/6.86)","","- Ba2 Ca0.8 Cu2 Nd0.2 O6.86 Tl0.96 -","- Ba2 Ca0.8 Cu2 Nd0.2 O6.86 Tl0.96 -","- Ba2 Ca0.8 Cu2 Nd0.2 O6.86 Tl0.96 -","1","0.0625","","Michel, C; Suard, E; Caignaert, V; Martin, C; Maignan, A; Hervieu, M; Raveau, B","Neutron diffraction structure determination of the ""1212""-series TlBa~2~Ca~1-x~Nd~x~Cu~2~O~7-d~","Physica C (Amsterdam) (152,1988-)","1991","178","","29","36","10.1016/0921-4534(91)90154-Q","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001485","3.87677","0.00005","3.87677","0.00005","12.6045","0.0003","90","","90","","90","","189.4","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium(III) barium calcium neodymium copper oxide (0.95/2/0.5/0.5/2/6.86)","","- Ba2 Ca0.5 Cu2 Nd0.5 O6.86 Tl0.95 -","- Ba2 Ca0.5 Cu2 Nd0.5 O6.86 Tl0.948 -","- Ba2 Ca0.5 Cu2 Nd0.5 O6.86 Tl0.948 -","1","0.0625","","Michel, C; Suard, E; Caignaert, V; Martin, C; Maignan, A; Hervieu, M; Raveau, B","Neutron diffraction structure determination of the ""1212""-series TlBa~2~Ca~1-x~Nd~x~Cu~2~O~7-d~","Physica C (Amsterdam) (152,1988-)","1991","178","","29","36","10.1016/0921-4534(91)90154-Q","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001486","3.91021","0.00005","3.91021","0.00005","12.4916","0.0002","90","","90","","90","","191","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium(III) barium neodymium copper oxide (0.96/2/1/2/6.96)","","- Ba2 Cu2 Nd O6.96 Tl0.96 -","- Ba2 Cu2 Nd O6.96 Tl0.96 -","- Ba2 Cu2 Nd O6.96 Tl0.96 -","1","0.0625","","Michel, C; Suard, E; Caignaert, V; Martin, C; Maignan, A; Hervieu, M; Raveau, B","Neutron diffraction structure determination of the ""1212""-series TlBa~2~Ca~1-x~Nd~x~Cu~2~O~7-d~","Physica C (Amsterdam) (152,1988-)","1991","178","","29","36","10.1016/0921-4534(91)90154-Q","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001487","3.7796","0.0001","3.7796","0.0001","8.8466","0.0003","90","","90","","90","","126.4","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium(III) strontium lanthanum copper oxide","","- Cu La O5 Sr Tl -","- Cu La O5 Sr Tl -","- Cu La O5 Sr Tl -","1","0.0625","","Huve, M; Michel, C; Martin, C; Hervieu, M; Maignan, A; Provost, J; Raveau, B","The ""1201""-phase of the ""Tl-Sr-La-Cu-O"" system. Homogeneity range, structure and superconductivity","Physica C (Amsterdam) (152,1988-)","1991","179","","214","226","10.1016/0921-4534(91)90030-3","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001488","3.7535","0.0001","3.7535","0.0001","8.9038","0.0004","90","","90","","90","","125.4","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium(III) strontium lanthanum copper oxide (1/1.4/.6/1/5)","","- Cu La0.6 O5 Sr1.4 Tl -","- Cu La0.6 O5 Sr1.4 Tl -","- Cu La0.6 O5 Sr1.4 Tl -","1","0.0625","","Huve, M; Michel, C; Martin, C; Hervieu, M; Maignan, A; Provost, J; Raveau, B","The ""1201""-phase of the ""Tl-Sr-La-Cu-O"" system. Homogeneity range, structure and superconductivity","Physica C (Amsterdam) (152,1988-)","1991","179","","214","226","10.1016/0921-4534(91)90030-3","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001489","3.7713","0.0001","3.7713","0.0001","8.8676","0.0002","90","","90","","90","","126.1","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium(III) strontium lanthanum copper oxide (1.3/1/0.7/1/5)","","- Cu La0.7 O5 Sr Tl1.3 -","- Cu La0.7 O5 Sr Tl1.3 -","- Cu La0.7 O5 Sr Tl1.3 -","1","0.0625","","Huve, M; Michel, C; Martin, C; Hervieu, M; Maignan, A; Provost, J; Raveau, B","The ""1201""-phase of the ""Tl-Sr-La-Cu-O"" system. Homogeneity range, structure and superconductivity","Physica C (Amsterdam) (152,1988-)","1991","179","","214","226","10.1016/0921-4534(91)90030-3","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001490","3.8602","0.0001","3.8602","0.0001","11.6646","0.0005","90","","90","","90","","173.8","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Yttrium calcium barium copper iron(III) oxide (0.9/0.1/2/2.9/0.1/7)","","- Ba2 Ca0.09 Cu2.91 Fe0.09 O7.01 Y0.91 -","- Ba2 Ca0.09 Cu2.91 Fe0.09 O7.01 Y0.91 -","- Ba2 Ca0.09 Cu2.91 Fe0.09 O7.01 Y0.91 -","1","0.0625","","Suard, E; Caignaert, V; Maignan, A; Raveau, B","The important role of pyramidal copper layers of the 123-structure in superconductivity. The oxides Ba~2~Y~1-x~Ca~x~Cu~3-x~Fe~x~O~7~ and Ba~2~Y~1-x~Ca~x~Cu~3-x~Fe~x~O~6~","Physica C (Amsterdam) (152,1988-)","1991","182","","219","227","10.1016/0921-4534(91)90515-Z","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001491","3.8604","0.0001","3.8604","0.0001","11.6725","0.0005","90","","90","","90","","174","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Yttrium calcium barium copper iron(III) oxide (0.9/0.1/2/2.9/0.1/6.98)","","- Ba2 Ca0.12 Cu2.88 Fe0.12 O6.98 Y0.88 -","- Ba2 Ca0.12 Cu2.88 Fe0.12 O6.98 Y0.88 -","- Ba2 Ca0.12 Cu2.88 Fe0.12 O6.98 Y0.88 -","1","0.0625","","Suard, E; Caignaert, V; Maignan, A; Raveau, B","The important role of pyramidal copper layers of the 123-structure in superconductivity. The oxides Ba~2~Y~1-x~Ca~x~Cu~3-x~Fe~x~O~7~ and Ba~2~Y~1-x~Ca~x~Cu~3-x~Fe~x~O~6~","Physica C (Amsterdam) (152,1988-)","1991","182","","219","227","10.1016/0921-4534(91)90515-Z","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001492","3.8608","0.0001","3.8608","0.0001","11.6653","0.0003","90","","90","","90","","173.9","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Yttrium calcium barium copper iron(III) oxide (0.9/0.1/2/2.9/0.1/7.1)","","- Ba2 Ca0.15 Cu2.85 Fe0.15 O7.12 Y0.85 -","- Ba2 Ca0.15 Cu2.85 Fe0.15 O7.12 Y0.85 -","- Ba2 Ca0.15 Cu2.85 Fe0.15 O7.12 Y0.85 -","1","0.0625","","Suard, E; Caignaert, V; Maignan, A; Raveau, B","The important role of pyramidal copper layers of the 123-structure in superconductivity. The oxides Ba~2~Y~1-x~Ca~x~Cu~3-x~Fe~x~O~7~ and Ba~2~Y~1-x~Ca~x~Cu~3-x~Fe~x~O~6~","Physica C (Amsterdam) (152,1988-)","1991","182","","219","227","10.1016/0921-4534(91)90515-Z","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001493","3.8637","0.0001","3.8637","0.0001","11.6899","0.0004","90","","90","","90","","174.5","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Yttrium calcium barium copper iron(III) oxide (0.8/0.2/2/2.8/0.2/7)","","- Ba2 Ca0.24 Cu2.76 Fe0.24 O7.04 Y0.76 -","- Ba2 Ca0.24 Cu2.76 Fe0.24 O7.04 Y0.76 -","- Ba2 Ca0.24 Cu2.76 Fe0.24 O7.04 Y0.76 -","1","0.0625","","Suard, E; Caignaert, V; Maignan, A; Raveau, B","The important role of pyramidal copper layers of the 123-structure in superconductivity. The oxides Ba~2~Y~1-x~Ca~x~Cu~3-x~Fe~x~O~7~ and Ba~2~Y~1-x~Ca~x~Cu~3-x~Fe~x~O~6~","Physica C (Amsterdam) (152,1988-)","1991","182","","219","227","10.1016/0921-4534(91)90515-Z","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001494","3.8588","0.0001","3.8588","0.0001","11.8199","0.0003","90","","90","","90","","176","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Yttrium calcium barium copper iron(III) oxide (0.9/0.1/2/2.9/0.1/6)","","- Ba2 Ca0.09 Cu2.91 Fe0.09 O6 Y0.91 -","- Ba2 Ca0.09 Cu2.91 Fe0.09 O6 Y0.91 -","- Ba2 Ca0.09 Cu2.91 Fe0.09 O6 Y0.91 -","1","0.0625","","Suard, E; Caignaert, V; Maignan, A; Raveau, B","The important role of pyramidal copper layers of the 123-structure in superconductivity. The oxides Ba~2~Y~1-x~Ca~x~Cu~3-x~Fe~x~O~7~ and Ba~2~Y~1-x~Ca~x~Cu~3-x~Fe~x~O~6~","Physica C (Amsterdam) (152,1988-)","1991","182","","219","227","10.1016/0921-4534(91)90515-Z","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001495","3.8616","0.0001","3.8616","0.0001","11.8163","0.0003","90","","90","","90","","176.2","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Yttrium calcium barium copper iron(III) oxide (0.8/0.2/2/2.8/0.2/6)","","- Ba2 Ca0.24 Cu2.76 Fe0.24 O6 Y0.76 -","- Ba2 Ca0.24 Cu2.76 Fe0.24 O6 Y0.76 -","- Ba2 Ca0.24 Cu2.76 Fe0.24 O6 Y0.76 -","1","0.0625","","Suard, E; Caignaert, V; Maignan, A; Raveau, B","The important role of pyramidal copper layers of the 123-structure in superconductivity. The oxides Ba~2~Y~1-x~Ca~x~Cu~3-x~Fe~x~O~7~ and Ba~2~Y~1-x~Ca~x~Cu~3-x~Fe~x~O~6~","Physica C (Amsterdam) (152,1988-)","1991","182","","219","227","10.1016/0921-4534(91)90515-Z","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001496","3.8227","0.0001","3.8227","0.0001","11.6689","0.0003","90","","90","","90","","170.5","","","","","","","","","","","","","6","P m m m","-P 2 2","47","","Yttrium calcium barium copper iron(III) oxide (0.9/0.1/2/2.9/0.1/7.1)","","- Ba2 Ca0.09 Cu2.91 Fe0.09 O7.05 Y0.91 -","- Ba2 Ca0.09 Cu2.91 Fe0.09 O7.05 Y0.91 -","- Ba2 Ca0.09 Cu2.91 Fe0.09 O7.05 Y0.91 -","1","0.125","","Suard, E; Caignaert, V; Maignan, A; Raveau, B","The important role of pyramidal copper layers of the 123-structure in superconductivity. The oxides Ba~2~Y~1-x~Ca~x~Cu~3-x~Fe~x~O~7~ and Ba~2~Y~1-x~Ca~x~Cu~3-x~Fe~x~O~6~","Physica C (Amsterdam) (152,1988-)","1991","182","","219","227","10.1016/0921-4534(91)90515-Z","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001497","3.8263","0.0001","3.8263","0.0001","11.6643","0.0003","90","","90","","90","","170.8","","","","","","","","","","","","","6","P m m m","-P 2 2","47","","Yttrium calcium barium copper iron(III) oxide (0.8/0.2/2/2.8/0.2/7.1)","","- Ba2 Ca0.24 Cu2.76 Fe0.24 O7.07 Y0.76 -","- Ba2 Ca0.24 Cu2.76 Fe0.24 O7.07 Y0.76 -","- Ba2 Ca0.24 Cu2.76 Fe0.24 O7.07 Y0.76 -","1","0.125","","Suard, E; Caignaert, V; Maignan, A; Raveau, B","The important role of pyramidal copper layers of the 123-structure in superconductivity. The oxides Ba~2~Y~1-x~Ca~x~Cu~3-x~Fe~x~O~7~ and Ba~2~Y~1-x~Ca~x~Cu~3-x~Fe~x~O~6~","Physica C (Amsterdam) (152,1988-)","1991","182","","219","227","10.1016/0921-4534(91)90515-Z","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001498","7.0656","0.0004","13.4988","0.0008","14.4198","0.0009","90","","90","","90","","1375.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rubidium tecto-vanadatophosphate *","","- O31 P6 Rb6 V6 -","- O31 P6 Rb6 V6 -","- O62 P12 Rb12 V12 -","2","0.25","","Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","A mixed valence vanadium phosphate with a tunnel structure: Rb~6~V~6~P~6~O~31~","Journal of Solid State Chemistry","1991","94","","274","280","10.1016/0022-4596(91)90192-K","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001499","10.0411","0.0002","11.6975","0.0005","3.4006","0.0005","90","","90","","90","","399.4","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Strontium dithallate","","- O4 Sr Tl2 -","- O4 Sr Tl2 -","- O16 Sr4 Tl8 -","4","0.5","","Michel, C; Hervieu, M; Raveau, B; Li, S; Greaney, M; Fine, S; Potenza, J; Greenblatt, M","SrTl~2~O~4~, a semi-metal with the CaFe~2~O~4~ structure","Materials Research Bulletin","1991","26","","123","128","10.1016/0025-5408(91)90001-3","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001500","8.7362","0.0009","8.7362","0.0009","22.093","0.002","90","","90","","120","","1460.3","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Sodium niobium phosphate (0.5/2/3)","","- Na0.5 Nb2 O12 P3 -","- Na0.5 Nb2 O12 P3 -","- Na3 Nb12 O72 P18 -","6","0.166667","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A niobium phosphate with a nasicon structure: Na~0.5~Nb~2~(PO~4~)~3~","Materials Research Bulletin","1991","26","","207","211","10.1016/0025-5408(91)90011-A","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001501","3.76","0.001","5.762","0.001","11.339","0.001","90","","90","","90","","245.7","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Diyttrium barium niccolate","","- Ba Ni O5 Y2 -","- Ba Ni O5 Y2 -","- Ba2 Ni2 O10 Y4 -","2","0.125","","Benloucif, R; Nguyen, N; Caignaert, V; Raveau, B","The solid solution Nd~2-x~Y~x~BaNiO~5~, a progressive transition from a tridimensional to an unidimensional anti-ferromagnetic state","Materials Research Bulletin","1991","26","","213","218","10.1016/0025-5408(91)90012-B","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001502","5.172","0.002","5.172","0.002","13.847","0.006","90","","90","","120","","320.8","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Dilithium zirconium tellurate","","- Li2 O6 Te Zr -","- Li2 O6 Te Zr -","- Li6 O18 Te3 Zr3 -","3","0.333333","","Archaimbault, F; Choisnet, J; Rulmont, A; Tarte, P","Lithium defect and ordering phenomena in the new LiNbO~3~ like mixed tellurates: Li~2-x~(Zr^4+^,Nb^5+^,Te^6+^)~2~O~6~ (x<0.5)","Materials Chemistry and Physics","1992","30","","245","252","10.1016/0254-0584(92)90232-W","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001503","5.1732","0.0025","5.1732","0.0005","13.8508","0.0007","90","","90","","120","","321","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Dilithium zirconium tellurate","","- Li2 O6 Te Zr -","- Li2 O6 Te Zr -","- Li6 O18 Te3 Zr3 -","3","0.333333","","Archaimbault, F; Choisnet, J; Rulmont, A; Tarte, P","Lithium defect and ordering phenomena in the new LiNbO~3~ like mixed tellurates: Li~2-x~(Zr^4+^,Nb^5+^,Te^6+^)~2~O~6~ (x<0.5)","Materials Chemistry and Physics","1992","30","","245","252","10.1016/0254-0584(92)90232-W","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001504","5.167","0.002","5.167","0.002","13.795","0.006","90","","90","","120","","319","","","","","","","","","","","","","5","R 3 :H","R 3","146","","Lithium zirconium niobium tellurium(VI) oxide (1.75/.75/.25/1/6)","","- Li1.75 Nb0.25 O6 Te Zr0.75 -","- Li1.75 Nb0.25 O6 Te Zr0.75 -","- Li5.25 Nb0.75 O18 Te3 Zr2.25 -","3","0.333333","","Archaimbault, F; Choisnet, J; Rulmont, A; Tarte, P","Lithium defect and ordering phenomena in the new LiNbO~3~ like mixed tellurates: Li~2-x~(Zr^4+^,Nb^5+^,Te^6+^)~2~O~6~ (x<0.5)","Materials Chemistry and Physics","1992","30","","245","252","10.1016/0254-0584(92)90232-W","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001505","5.148","0.003","5.148","0.003","13.763","0.008","90","","90","","120","","315.9","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Lithium niobium tellurium(VI) oxide (1.75/1.75/0.25/6)","","- Li1.75 Nb1.75 O6 Te0.25 -","- Li1.75 Nb1.75 O6 Te0.25 -","- Li5.25 Nb5.25 O18 Te0.75 -","3","0.166667","","Archaimbault, F; Choisnet, J; Rulmont, A; Tarte, P","Lithium defect and ordering phenomena in the new LiNbO~3~ like mixed tellurates: Li~2-x~(Zr^4+^,Nb^5+^,Te^6+^)~2~O~6~ (x<0.5)","Materials Chemistry and Physics","1992","30","","245","252","10.1016/0254-0584(92)90232-W","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001506","3.7626","0.0001","11.5157","0.0004","20.1199","0.0007","90","","90","","90","","871.8","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Strontium praseodymium copper oxide (2/1/2/5.7)","","- Cu2 O5.667 Pr Sr2 -","- Cu2 O5.66667 Pr Sr2 -","- Cu12 O34 Pr6 Sr12 -","6","0.375","","Lucas, S; Caignaert, V; Hervieu, M; Michel, C; Raveau, B","The layered cuprates Sr~2-x~Ln~1+x~Cu~2~O~6-d~: a structure built up from the two limit structures Sr~2~LnCu~2~O~6~ and Sr~6~Ln~3~Cu~6~O~17~ (Ln=Pr,Y)","European Journal of Solid State Inorganic Chemistry","1992","29","","399","409","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001507","13.747","0.002","6.446","0.001","20.588","0.003","90","","124.94","0.01","90","","1495.5","","","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Potassium niobium aluminium phosphate *","","- Al0.8 K5 Nb7.2 O34 P5 -","- Al0.8 K5 Nb7.2 O34 P5 -","- Al1.6 K10 Nb14.4 O68 P10 -","2","0.5","","Leclaire, A.; Guerioune, M.; Borel, M. M.; Grandin, A.; Raveau, B.","Insertion of potassium in the α-K~4~Nb~8~P~5~O~34~ structure: the niobium phosphates α-K~5~Nb~8-x~M~x~P~5~O~34~","European Journal of Solid State and Inorganic Chemistry","1992","29","","473","483","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","200144","2020-10-21","18:00:00",""
"1001508","35.1869","0.0022","17.6202","0.0018","7.9876","0.001","90","","90","","90","","4952.3","","","","","","","","","","","","","4","B b m 2","B 2 -2b","40","","Tetrabarium disodium decaniobate","","- Ba4 Na2 Nb10 O30 -","- Ba4 Na2 Nb10 O30 -","- Ba32 Na16 Nb80 O240 -","8","1","","Labbe, P; Leligny, H; Raveau, B; Schneck, J; Toledano, J C","X-ray structural determination of the quasi-commensurate phase of barium sodium niobate","Journal of Physics: Condensed Matter","1989","2","","25","43","10.1088/0953-8984/2/1/002","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001509","8.631","0.001","8.631","0.001","8.631","0.001","90","","90","","90","","643","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Nonapotassium bismuth hexauranium oxide","","- Bi K9 O24 U6 -","- Bi K9 O24 U6 -","- Bi K9 O24 U6 -","1","0.0208333","","Gasperin, M; Rebizant, J; Dancausse, J; Meyer, D; Cousson, A","Structure de K~9~BiU~6~O~24~","Acta Crystallographica C (39,1983-)","1991","47","","2278","2279","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001510","10.6213","0.0008","10.4685","0.0007","9.7063","0.0013","90","","103.074","0.009","90","","1051.3","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Barium divanadium(III) diphosphate","","- Ba O14 P4 V2 -","- Ba O14 P4 V2 -","- Ba4 O56 P16 V8 -","4","0.5","","Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","Structure of barium vanadium(III) diphosphate","Acta Crystallographica C (39,1983-)","1991","47","","2437","2438","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001511","5.317","0.002","7.58","0.004","7.116","0.002","101.26","0.02","84.48","0.03","89.49","0.03","279.9","","","","","","","","","","","","","4","P -1","-P 1","2","","Barium nickel diphosphate","","- Ba Ni O7 P2 -","- Ba Ni O7 P2 -","- Ba2 Ni2 O14 P4 -","2","1","","Riou, D; Leligny, H; Pham, C; Labbe, P; Raveau, B","BaNiP~2~O~7~, a triclinic diphosphate with a modulated structure ofthe displacive type","Acta Crystallographica B (39,1983-)","1991","47","","608","617","","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001512","9.35","","11.382","","2.993","","90","","90","","90","","318.5","","","","","","","","","","","","","5","P n a m","-P 2c 2n","62","","Sodium iron(III) titanium antimony(V) oxide (.9/1.2/.5/.3/4)","","- Fe1.175 Na0.875 O4 Sb0.3 Ti0.525 -","- Fe1.175 Na0.875 O4 Sb0.3 Ti0.525 -","- Fe4.7 Na3.5 O16 Sb1.2 Ti2.1 -","4","0.5","","Archaimbault, F; Choisnet, J","The defect solution Na~7/8~(Fe^III^~7/8+x~Ti^IV^~9/8$~/2~x~Sb^V^~x~)O~4~(0<x<0.333): Evidence of Na^I^ mobility in the tunnels of a quadruple rutile-chain structure","Journal of Solid State Chemistry","1991","90","","216","227","10.1016/0022-4596(91)90137-7","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001513","3.8666","0.0006","3.7281","0.0009","12.644","0.001","90","","90","","90","","182.3","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Lanthanum strontium nickel oxide (1/1/1/3.4)","","- La Ni O3.43 Sr -","- La Ni O3.43 Sr -","- La2 Ni2 O6.86 Sr2 -","2","0.125","","Crespin, M; Landron, C; Odier, P; Bassat, J M; Mouron, P; Choisnet, J","Evidence for nickel-(I)-rich mixed oxide with a defect K~2~NiF~4~ type structure","Journal of Solid State Chemistry","1992","100","","281","291","10.1016/0022-4596(92)90102-2","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001514","3.853","0.002","3.566","0.003","12.869","0.011","90","","90","","90","","176.8","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Lanthanum strontium nickel oxide (1/1/1/3.1)","","- La Ni O3.09 Sr -","- La Ni O3.09 Sr -","- La2 Ni2 O6.18 Sr2 -","2","0.125","","Crespin, M; Landron, C; Odier, P; Bassat, J M; Mouron, P; Choisnet, J","Evidence for nickel-(I)-rich mixed oxide with a defect K~2~NiF~4~ type structure","Journal of Solid State Chemistry","1992","100","","281","291","10.1016/0022-4596(92)90102-2","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001515","3.8316","","3.8316","","15.5926","","90","","90","","90","","228.9","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium barium strontium calcium copper oxide (1/1/1/2/3/9)","","- Ba Ca2 Cu3 O9 Sr Tl -","- Ba Ca2 Cu3 O9 Sr Tl -","- Ba Ca2 Cu3 O9 Sr Tl -","1","0.0625","","Martin, C; Huve, M; Hervieu, M; Maignan, A; Michel, C; Raveau, B","A 116K superconductor with ""1223"" structure: TlBaSrCa~2~Cu~3~O~9-d~","Physica C (Amsterdam) (152,1988-)","1992","201","","362","368","10.1016/0921-4534(92)90484-T","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001516","10.8135","0.0008","10.6407","0.0007","9.821","0.0006","90","","103.629","0.007","90","","1098.2","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Barium tecto-dimolybdato(III)bis(diphosphate)","","- Ba Mo2 O14 P4 -","- Ba Mo2 O14 P4 -","- Ba4 Mo8 O56 P16 -","4","0.5","","Leclaire, A; Chardon, J; Borel, M M; Grandin, A; Raveau, B","A new molybdenum(III) phosphate: BaMo~2~P~4~O~14~ isotypic with BaM~2~P~4~O~14~ (M=Ti^III^,V^III^)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","617","","127","130","10.1002/zaac.19926170122","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001517","5.0862","0.0004","11.72","0.001","11.486","0.001","90","","90.91","0.01","90","","684.6","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Potassium molybdenum(V) diphosphate","","- K Mo O8 P2 -","- K Mo O8 P2 -","- K4 Mo4 O32 P8 -","4","1","","Gueho, C; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Crystal structure of the molybdenum(V) diphosphate KMoP~2~O~8~ isotypic with KNbP~2~O~8~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","615","","104","108","10.1002/zaac.19926150921","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001518","3.8108","0.0009","3.8108","0.0009","11.927","0.002","90","","90","","90","","173.2","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Lead cadmium strontium yttrium copper oxide (0.6/0.3/2.1/0.9/2.1/7)","","- Cd0.33 Cu2.11 O7 Pb0.56 Sr2.09 Y0.91 -","- Cd0.33 Cu2.11 O7 Pb0.56 Sr2.09 Y0.91 -","- Cd0.33 Cu2.11 O7 Pb0.56 Sr2.09 Y0.91 -","1","0.0625","","Ledesert, M; Labbe, Ph; Groult, D; Daniel, Ph; Hervieu, M; Raveau, B","The crystal structure of the cadmium derivative 1212 lead cuprate (Pb, Cd)Sr~2~YCu~2~O~7~","European Journal of Solid State Inorganic Chemistry","1993","30","","357","367","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001519","5.187","0.001","7.959","0.002","17.187","0.002","90","","92.74","0.01","90","","708.7","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cadmium tecto-diphosphatodivanadate(IV)","","- Cd O10 P2 V2 -","- Cd O10 P2 V2 -","- Cd4 O40 P8 V8 -","4","1","","Leclaire, A; Grandin, A; Chardon, J; Borel, M M; Raveau, B","A new vanadium(IV) monophosphate Cd(VO)~2~(PO~4~)~2~","European Journal of Solid State Inorganic Chemistry","1993","30","","393","400","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001520","11.571","0.001","15.88","0.002","7.138","0.001","90","","90","","90","","1311.6","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Cadmium tecto-diphosphatovanadate(IV)","","- Cd O10 P2 V2 -","- Cd O10 P2 V2 -","- Cd8 O80 P16 V16 -","8","0.5","","Leclaire, A; Chardon, J; Grandin, A; Borel, M M; Raveau, B","A novel form of Cd(VO)~2~(PO~4~)~2~ isotypic with Ca(VO)~2~(PO~4~)~2~","European Journal of Solid State Inorganic Chemistry","1993","30","","461","469","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001521","3.7988","0.0001","3.7988","0.0001","22.7109","0.0009","90","","90","","90","","327.7","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Dithallium barium strontium copper oxide","","- Ba Cu O6 Sr Tl2 -","- Ba Cu O6 Sr Tl2 -","- Ba2 Cu2 O12 Sr2 Tl4 -","2","0.0625","","Martin, C; Maignan, A; Huve, M; Michel, C; Hervieu, M; Raveau, B","The influence of alkaline-earth ions on the properties of the ""2201"" superconductive cuprates: the solid solution Tl~2~Ba~2- x~Sr~x~CuO~6+d~","European Journal of Solid State Inorganic Chemistry","1993","30","","7","18","","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001522","3.7464","0.0001","3.7464","0.0001","22.3013","0.0005","90","","90","","90","","313","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Dithallium distrontium copper oxide","","- Cu O6 Sr2 Tl2 -","- Cu O6 Sr2 Tl2 -","- Cu2 O12 Sr4 Tl4 -","2","0.0625","","Martin, C; Maignan, A; Huve, M; Michel, C; Hervieu, M; Raveau, B","The influence of alkaline-earth ions on the properties of the ""2201""superconductive cuprates: the solid solution Tl~2~Ba~2- x~Sr~x~CuO~6+d~","European Journal of Solid State Inorganic Chemistry","1993","30","","7","18","","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001523","3.8798","0.0001","3.8798","0.0001","12.2573","0.0005","90","","90","","90","","184.5","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium(III) barium strontium neodymium dicopper oxide","","- Ba Cu2 Nd O7 Sr Tl -","- Ba Cu2 Nd O7 Sr Tl -","- Ba Cu2 Nd O7 Sr Tl -","1","0.0625","","Huve, M; Martin, C; Michel, C; Maignan, A; Hervieu, M; Raveau, B","Influence of the size of alkaline earth cations on the structural distortion and transport properties of the semiconducting 1212 - type cuprates TlBa~2-x~Sr~x~LnCu~2~O~7~","Journal of Physics and Chemistry of Solids","1993","54","","145","152","10.1016/0022-3697(93)90302-8","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001524","3.8503","0.0001","3.8503","0.0001","12.0724","0.0005","90","","90","","90","","179","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium(III) distrontium neodymium dicopper oxide","","- Cu2 Nd O7 Sr2 Tl -","- Cu2 Nd O7 Sr2 Tl -","- Cu2 Nd O7 Sr2 Tl -","1","0.0625","","Huve, M; Martin, C; Michel, C; Maignan, A; Hervieu, M; Raveau, B","Influence of the size of alkaline earth cations on the structural distortion and transport properties of the semiconducting 1212 - type cuprates TlBa~2-x~Sr~x~LnCu~2~O~7~","Journal of Physics and Chemistry of Solids","1993","54","","145","152","10.1016/0022-3697(93)90302-8","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001525","3.8421","0.0002","3.8421","0.0002","12.2064","0.0006","90","","90","","90","","180.2","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium(III) barium strontium yttrium dicopper oxide","","- Ba Cu2 O7 Sr Tl Y -","- Ba Cu2 O7 Sr Tl Y -","- Ba Cu2 O7 Sr Tl Y -","1","0.0625","","Huve, M; Martin, C; Michel, C; Maignan, A; Hervieu, M; Raveau, B","Influence of the size of alkaline earth cations on the structural distortion and transport properties of the semiconducting 1212 - type cuprates TlBa~2-x~Sr~x~LnCu~2~O~7~","Journal of Physics and Chemistry of Solids","1993","54","","145","152","10.1016/0022-3697(93)90302-8","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001526","3.8157","0.0001","3.8157","0.0001","11.9963","0.0006","90","","90","","90","","174.7","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium(III) distrontium yttrium dicopper oxide","","- Cu2 O7 Sr2 Tl Y -","- Cu2 O7 Sr2 Tl Y -","- Cu2 O7 Sr2 Tl Y -","1","0.0625","","Huve, M; Martin, C; Michel, C; Maignan, A; Hervieu, M; Raveau, B","Influence of the size of alkaline earth cations on the structural distortion and transport properties of the semiconducting 1212 - type cuprates TlBa~2-x~Sr~x~LnCu~2~O~7~","Journal of Physics and Chemistry of Solids","1993","54","","145","152","10.1016/0022-3697(93)90302-8","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001527","5.4522","0.0002","5.4807","0.0002","37.012","0.001","90","","90","","90","","1106","","","","","","","","","","","","","6","F m m m","-F 2 2","69","","Dilead distrontium praseodymium cerium tricopper oxide","","- Ce Cu3 O10 Pb2 Pr Sr2 -","- Ce Cu3 O10 Pb2 Pr Sr2 -","- Ce4 Cu12 O40 Pb8 Pr4 Sr8 -","4","0.125","","Rouillon, T; Hervieu, M; Domenges, B; Raveau, B","Structural study of the oxide Pb~2~Sr~2~PrCeCu~3~O~10~, intergrowth of 0201- and 0222-type structures","Journal of Solid State Chemistry","1993","103","","63","74","10.1006/jssc.1993.1079","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001528","5.4512","0.0001","5.4799","0.0001","37.0107","0.0008","90","","90","","90","","1105.6","","","","","","","","","","","","","6","F m m m","-F 2 2","69","","Lead strontium praseodymium cerium copper oxide (2./2./1/1/3./10.1)","","- Ce Cu3.01 O10.056 Pb2.02 Pr Sr2.02 -","- Ce Cu3 O10.04 Pb2 Pr Sr2 -","- Ce4 Cu12 O40.16 Pb8 Pr4 Sr8 -","4","0.125","","Rouillon, T; Hervieu, M; Domenges, B; Raveau, B","Structural study of the oxide Pb~2~Sr~2~PrCeCu~3~O~10~, intergrowth of 0201- and 0222-type structures","Journal of Solid State Chemistry","1993","103","","63","74","10.1006/jssc.1993.1079","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00",""
"1001529","15.639","0.002","15.639","0.002","3.8317","0.0004","90","","90","","90","","937.2","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Phosphorus nonaniobium oxide","","- Nb9 O25 P -","- Nb9 O25 P -","- Nb18 O50 P2 -","2","0.125","","Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Redetermination of the structure of PNb~9~O~25~","Acta Crystallographica C (39,1983-)","1991","47","","849","850","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001530","4.7598","0.0007","6.3493","0.0007","17.7599","0.0024","90","","97.39","0.05","90","","532.3","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Titanium(III) phosphate","","- O4 P Ti -","- O4 P Ti -","- O32 P8 Ti8 -","8","2","","Leclaire, A; Benmoussa, A; Borel, M M; Grandin, A; Raveau, B","TiPO~4~, a titanium orthophosphate with a CrVO~4~ sublattice","European Journal of Solid State Inorganic Chemistry","1991","28","","1323","1333","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001531","3.8783","0.0002","3.8783","0.0002","29.495","0.002","90","","90","","90","","443.6","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Lead strontium neodymium cerium copper oxide (0.5/2.5/1.5/0.5/2/9)","","- Ce0.5 Cu2 Nd1.5 O9 Pb0.5 Sr2.5 -","- Ce0.5 Cu2 Nd1.5 O9 Pb0.5 Sr2.5 -","- Ce Cu4 Nd3 O18 Pb Sr5 -","2","0.0625","","Gambardella, M T; Domenges, B; Rouillon, T; Hervieu, M; Raveau, B","Introduction of fluorite layers in the 1212-type structure: the oxide (Pb~.5~Sr~.5~)Sr~2~Nd~2-x~Ce~x~Cu~2~O~9-d~","European Journal of Solid State Inorganic Chemistry","1992","39","","333","345","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001532","3.8565","0.0001","3.8565","0.0001","29.3122","0.0009","90","","90","","90","","435.9","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Dithallium(III) calcium dibarium dicopper oxide","","- Ba2 Ca Cu2 O8 Tl2 -","- Ba2 Ca Cu2 O8 Tl2 -","- Ba4 Ca2 Cu4 O16 Tl4 -","2","0.0625","","Michel, C; Martin, C; Hervieu, M; Maignan, A; Provost, J; Huve, M; Raveau, B","Thallium nonstoichiometry in 2212-thallium cuprate","Journal of Solid State Chemistry","1992","96","","271","286","10.1016/S0022-4596(05)80260-9","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001533","3.8489","0.0001","3.8489","0.0001","29.3153","0.0007","90","","90","","90","","434.3","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Thallium calcium barium copper oxide (1.8/1/2/2/8)","","- Ba2 Ca Cu2 O8 Tl1.81 -","- Ba2 Ca Cu2 O8 Tl1.81 -","- Ba4 Ca2 Cu4 O16 Tl3.62 -","2","0.0625","","Michel, C; Martin, C; Hervieu, M; Maignan, A; Provost, J; Huve, M; Raveau, B","Thallium nonstoichiometry in 2212-thallium cuprate","Journal of Solid State Chemistry","1992","96","","271","286","10.1016/S0022-4596(05)80260-9","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001534","5.2306","0.0004","8.5805","0.0009","16.79","0.001","90","","91.01","0.01","90","","753.4","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lead divanado(IV)diphosphate","","- O10 P2 Pb V2 -","- O10 P2 Pb V2 -","- O40 P8 Pb4 V8 -","4","1","","Grandin, A; Chardon, J; Borel, M M; Leclaire, A; Raveau, B","Structure of PbV~2~P~2~O~1~0","Acta Crystallographica C (39,1983-)","1992","48","","1913","1915","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001535","10.6604","0.0008","10.6604","0.0008","6.4434","0.0004","90","","90","","90","","732.3","","","","","","","","","","","","","5","P -4 m 2","P -4 -2","115","","Barium rubidium tecto-octaniobopentaphosphate (0.84/3/1)","","- Ba0.84 Nb8 O34 P5 Rb3 -","- Ba0.84 Nb8 O34 P5 Rb3 -","- Ba0.84 Nb8 O34 P5 Rb3 -","1","0.125","","Gueho, C; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Structure of Ba~0.84~Rb~3~Nb~8~P~5~O~34~","Acta Crystallographica C (39,1983-)","1992","48","","2066","2067","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001536","8.961","0.001","8.961","0.001","30.204","0.002","90","","90","","120","","2100.4","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Trisodium tripotassium phyllo-octaniobopentaphosphate","","- K3 Na3 Nb8 O35 P5 -","- K3 Na3 Nb8 O35 P5 -","- K9 Na9 Nb24 O105 P15 -","3","0.166667","","Gueho, C; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","A new series of phosphates with the Na~6~Nb~8~P~5~O~35~ structure","European Journal of Solid State Inorganic Chemistry","1992","29","","1253","1261","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001537","10.0451","0.0002","11.6905","0.0002","3.4086","0.00004","90","","90","","90","","400.3","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Strontium dithallium(III) oxide","","- O4 Sr Tl2 -","- O4 Sr Tl2 -","- O16 Sr4 Tl8 -","4","0.5","","Michel, C; Hervieu, M; Caignaert, V; Raveau, B","Structure Refinement of the semi-Metallic Oxide SrTl~2~O~4~: a Neutron Diffraction Study","Acta Crystallographica C (39,1983-)","1992","48","","1747","1749","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001538","32.85","0.004","5.3484","0.0004","13.252","0.002","90","","97.79","0.01","90","","2306.8","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Sodium phyllo-heptaniobotetraphosphate (3.04/1)","","- Na3.04 Nb7 O29 P4 -","- Na3.04 Nb7 O29 P4 -","- Na12.16 Nb28 O116 P16 -","4","0.5","","Benabbas, A; Leligny, H; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Na~4-x~Nb~7~P~4~O~29~: A Phosphate Niobium Bronze Intergrowth of the Members M=3 snd M=4 of the MPTB's Series Na~x~(NbO~3~)~2m~(PO~2~)~4~","Journal of Solid State Chemistry","1992","101","","137","144","10.1016/0022-4596(92)90209-E","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001539","7.7178","0.0006","13.3233","0.0008","6.287","0.003","90","","99.49","0.01","90","","637.6","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Disodium phyllo-diphosphatovanadate(IV)","","- Na2 O8 P2 V -","- Na2 O8 P2 V -","- Na8 O32 P8 V4 -","4","1","","Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","Na/2VP~2~O~8~: A Tetravalent Vanadium Diphosphate with a Layered Structure","Journal of Solid State Chemistry","1992","101","","154","160","10.1016/0022-4596(92)90211-D","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001540","3.8784","0.0005","3.8784","0.0005","30.415","0.005","90","","90","","90","","457.5","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Thallium barium europium cerium copper oxide (1/2/1.5/.5/2/9)","","- Ba2 Ce0.5 Cu2 Eu1.5 O9 Tl -","- Ba2 Ce0.5 Cu2 Eu1.5 O9 Tl -","- Ba4 Ce Cu4 Eu3 O18 Tl2 -","2","0.0625","","Liu, R S; Hervieu, M; Michel, C; Maignan, A; Martin, C; Raveau, B; Edwards, P P","TlBa~2~(Eu,Ce)~2~Cu~2~O~9+d~, a new member of the double fluorite-type cuprate family. Structure and possible induced superconductivity by oxygen high-pressure annealing","Physica C (Amsterdam) (152,1988-)","1992","197","","131","135","10.1016/0921-4534(92)90246-9","","","","","","0.087","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001541","10.605","0.0009","10.605","0.0009","6.4099","0.0005","90","","90","","90","","720.9","","","","","","","","","","","","","5","P -4 m 2","P -4 -2","115","","Potassium niobium silicophosphate *","","- K4 Nb8 O34 P4 Si -","- K4 Nb8 O34 P4 Si -","- K4 Nb8 O34 P4 Si -","1","0.125","","Leclaire, A; Borel, M M; Chardon, J; Grandin, A; Raveau, B","A niobium silicophosphate belonging to the niobium phosphate bronzeseries: K~4~Nb~8~P~4~SiO~34~","Acta Crystallographica C (39,1983-)","1992","48","","1744","1747","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001542","5.2204","0.0003","9.1702","0.0007","16.3247","0.0009","90","","92.757","0.005","90","","780.6","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Barium divanadato(IV)diphosphate","","- Ba O10 P2 V2 -","- Ba O10 P2 V2 -","- Ba4 O40 P8 V8 -","4","1","","Grandin, A; Chardon, J; Borel, M M; Leclaire, A; Raveau, B","BaV~2~P~2~O~10~, a new tetravalent vanadium phosphate with a tunnel structure","Journal of Solid State Chemistry","1992","99","","297","302","10.1016/0022-4596(92)90317-O","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001543","11.129","0.001","10","0.001","9.218","0.001","90","","90","","90","","1025.9","","","","","","","","","","","","","3","C 2 c b","C -2ac 2","41","","Lanthanum molybdenum oxide (1/8/14)","","- La0.988 Mo8.024 O14 -","- La0.9875 Mo8.024 O14 -","- La3.95 Mo32.096 O56 -","4","","","Leligny, H.; Labbe, P.; Ledesert, M.; Hervieu, M.; Raveau, B.; McCarroll, W. H.","The modulated structure of LaMo~8~O~14~","Acta Crystallographica B (39,1983-)","1993","49","3","444","454","10.1107/S0108768192010413","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","188424","2020-10-21","18:00:00",""
"1001544","6.403","0.002","7.6","0.002","12.769","0.002","80.11","0.01","79.59","0.01","83.82","0.01","600.2","","","","","","","","","","","","","4","P -1","-P 1","2","","Silver dimolybdo(V)molybdotriphosphate","","- Ag Mo3 O16 P3 -","- Ag Mo3 O16 P3 -","- Ag2 Mo6 O32 P6 -","2","1","","Guesdon, A; Borel, M - M; Grandin, A; Leclaire, A; Raveau, B","Structure du monophosphate de molybdene a valence mixte AgMo^V^~2~Mo^VI^P~3~O~16~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993)","1993","316","","477","482","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001545","3.6434","0.0004","3.6434","0.0004","11.871","0.002","90","","90","","90","","157.6","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Yttrium calcium aluminium oxide","","- Al Ca O4 Y -","- Al Ca O4 Y -","- Al2 Ca2 O8 Y2 -","2","0.0625","","Choisnet, J; Archaimbault, F; Crespin, M; Chezina, N; Zvereva, I","Crystal chemistry of the diluted solid solution YCaCr~x~Al~1- x~O~4~(x<=0.07) at 1273K: reversed trends in the anisotropy of the K~2~NiF~4~ type structure","European Journal of Solid State Inorganic Chemistry","1993","30","","619","628","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001546","3.675","0.0005","3.675","0.0005","12.011","0.002","90","","90","","90","","162.2","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Yttrium calcium aluminium oxide","","- Al Ca O4 Y -","- Al Ca O4 Y -","- Al2 Ca2 O8 Y2 -","2","0.0625","","Choisnet, J; Archaimbault, F; Crespin, M; Chezina, N; Zvereva, I","Crystal chemistry of the diluted solid solution YCaCr~x~Al~1- x~O~4~(x<=0.07) at 1273K: reversed trends in the anisotropy of the K~2~NiF~4~ type structure","European Journal of Solid State Inorganic Chemistry","1993","30","","619","628","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001547","3.6526","0.0003","3.6526","0.0003","11.864","0.002","90","","90","","90","","158.3","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Yttrium calcium aluminium chromium oxide (1/1/.9/.1/4)","","- Al0.93 Ca Cr0.07 O4 Y -","- Al0.93 Ca Cr0.07 O4 Y -","- Al1.86 Ca2 Cr0.14 O8 Y2 -","2","0.0625","","Choisnet, J; Archaimbault, F; Crespin, M; Chezina, N; Zvereva, I","Crystal chemistry of the diluted solid solution YCaCr~x~Al~1- x~O~4~(x<=0.07) at 1273K: reversed trends in the anisotropy of the K~2~NiF~4~ type structure","European Journal of Solid State Inorganic Chemistry","1993","30","","619","628","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001548","3.681","0.0005","3.681","0.0005","12.015","0.002","90","","90","","90","","162.8","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Yttrium calcium aluminium chromium oxide (1/1/.9/.1/4)","","- Al0.93 Ca Cr0.07 O4 Y -","- Al0.93 Ca Cr0.07 O4 Y -","- Al1.86 Ca2 Cr0.14 O8 Y2 -","2","0.0625","","Choisnet, J; Archaimbault, F; Crespin, M; Chezina, N; Zvereva, I","Crystal chemistry of the diluted solid solution YCaCr~x~Al~1- x~O~4~(x<=0.07) at 1273K: reversed trends in the anisotropy of the K~2~NiF~4~ type structure","European Journal of Solid State Inorganic Chemistry","1993","30","","619","628","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001549","3.8688","0.0002","3.8688","0.0002","7.5726","0.0006","90","","90","","90","","113.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium cobalt copper oxide (1/1/1/1/4.96)","","- Ba Co Cu O4.96 Y -","- Ba Co Cu O4.96 Y -","- Ba Co Cu O4.96 Y -","1","0.0625","","Barbey, L; Nguyen, N; Caignaert, V; Hervieu, M; Raveau, B","Mixed oxides of cobalt and copper with a double pyramidal layer structure","Materials Research Bulletin","1992","27","","295","301","10.1016/0025-5408(92)90058-8","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001550","5.4028","0.0006","5.4745","0.0006","24.515","0.002","90","","90","","90","","725.1","","","","","","","","","","","","","6","F m m m","-F 2 2","69","","Bismuth lead barium lanthanum copper oxide","","- Ba Bi Cu La O6 Pb -","- Ba Bi Cu La O6 Pb -","- Ba4 Bi4 Cu4 La4 O24 Pb4 -","4","0.125","","Pham, A Q; Michel, C; Hervieu, M; Maignan, A; Raveau, B","Substitution of lead for bismuth in the 2201-type oxide Bi~2~BaLaCuO~6+d~","Journal of Physics and Chemistry of Solids","1993","54","1","65","71","10.1016/0022-3697(93)90115-8","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001551","9.4312","0.0005","9.4312","0.0005","9.4312","0.0005","90","","90","","90","","838.9","","","","","","","","","","","","","4","I a -3","-I 2b 2c 3","206","","Copper titanium ferrate *","","- Cu0.6667 Fe0.6667 O3 Ti0.6667 -","- Cu0.6666 Fe0.6666 O3 Ti0.6666 -","- Cu10.6656 Fe10.6656 O48 Ti10.6656 -","16","0.333333","","Mouron, P; Odier, P; Choisnet, J","Titanates de cuivre substitues a structure bixbyite: Les composes Cu~1- x~ Ti~1-x~ Fe~2x~ O~3~ (0.15<x<0.33)","Journal of Solid State Chemistry","1985","60","","87","94","10.1016/0022-4596(85)90167-7","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001552","9.4312","0.0005","9.4312","0.0005","9.4312","0.0005","90","","90","","90","","838.9","","","","","","","","","","","","","4","I a -3","-I 2b 2c 3","206","","Copper titanium iron oxide (0.66/0.66/0.66/3)","","- Cu0.66 Fe0.66 O3 Ti0.66 -","- Cu0.66 Fe0.66 O3 Ti0.66 -","- Cu10.56 Fe10.56 O48 Ti10.56 -","16","0.333333","","Mouron, P; Odier, P; Choisnet, J","Titanates des cuivre substitues a structure bixbyite: Les composes Cu~1- x~ Ti1~-x~ Fe~2x~ O~3~ (0.15 <= X <= 0.33)","Journal of Solid State Chemistry","1985","60","","87","94","10.1016/0022-4596(85)90167-7","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001553","9.428","0.001","9.943","0.002","12.348","0.002","90","","127.38","0.01","90","","919.8","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Caesium tecto-molybdophosphate *","","- Cs Mo2 O10 P2 -","- Cs Mo2 O10 P2 -","- Cs4 Mo8 O40 P8 -","4","1","","Guesdon, A.; Borel, M. M.; Leclaire, A.; Grandin, A.; Raveau, B.","A series of Mixed-valent Molybdenum Monophosphates, Isotypic with Leucophosphite Represented by CsMo~2~P~2~O~10~ and K~1.5~Mo~2~P~2~O~10~ · H~2~O","Zeitschrift für Anorganische und Allgemeine Chemie","1993","619","11","1841","1849","10.1002/zaac.19936191106","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","200134","2020-10-21","18:00:00",""
"1001554","9.721","0.002","9.805","0.003","12.329","0.003","90","","128.73","0.02","90","","916.7","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium tecto-molybdophosphate hydrate *","","- H2 K1.5 Mo2 O11 P2 -","- H2 K1.5 Mo2 O11 P2 -","- H8 K6 Mo8 O44 P8 -","4","1","","Guesdon, A.; Borel, M. M.; Leclaire, A.; Grandin, A.; Raveau, B.","A series of Mixed-valent Molybdenum Monophosphates, Isotypic with Leucophosphite Represented by CsMo~2~P~2~O~10~ and K~1.5~Mo~2~P~2~O~10~ · H~2~O","Zeitschrift für Anorganische und Allgemeine Chemie","1993","619","11","1841","1849","10.1002/zaac.19936191106","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","200134","2020-10-21","18:00:00",""
"1001555","9.896","0.001","9.896","0.001","9.896","0.001","90","","90","","90","","969.1","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Potassium tecto-vanadatophosphate *","","- K7.333 O48.667 P12 V10 -","- K7.3332 O48.6668 P12 V10.0004 -","- K7.3332 O48.6668 P12 V10.0004 -","1","0.0833333","","Benmoussa, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Langbeinite, a host lattice for ""V~3~O"" clusters: the trivalent vanadium phosphate K~11~V~15~P~18~O~73~","Journal of Solid State Chemistry","1992","97","","314","318","10.1016/0022-4596(92)90039-X","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001556","6.6858","0.0008","6.6858","0.0008","24.147","0.003","90","","90","","90","","1079.4","","","","","","","","","","","","","3","P 41","P 4w","76","","Calcium diphosphate - β","","- Ca2 O7 P2 -","- Ca2 O7 P2 -","- Ca16 O56 P16 -","8","2","","Boudin, S.; Grandin, A.; Borel, M. M.; Leclaire, A.; Raveau, B.","Redetermination of the β-Ca~2~P~2~O~7~ structure","Acta Crystallographica, Section C: Crystal Structure Communications","1993","49","12","2062","2064","10.1107/s0108270193005608","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","200074","2020-10-21","18:00:00",""
"1001557","6.7226","0.0005","6.7226","0.0005","5.7932","0.0005","90","","90","","90","","261.8","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Neodymium strontium barium copper oxide (1.6/0.4/1/1/5)","","- Ba Cu Nd1.6 O5 Sr0.4 -","- Ba Cu Nd1.6 O5 Sr0.4 -","- Ba2 Cu2 Nd3.2 O10 Sr0.8 -","2","0.125","","Barbey, L; Nguyen, N; Raveau, B","Nd~2~BaCuO~5~-type structure: nickel in square planar coordination and copper mixed valency","Journal of Solid State Chemistry","1993","102","","156","163","10.1006/jssc.1993.1018","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001558","6.6909","0.0004","6.6909","0.0004","5.7601","0.0004","90","","90","","90","","257.9","","","","","","","","","","","","","6","P 4/m b m","-P 4 2ab","127","","Neodymium calcium barium copper nickel oxide (1.8/0.2/1/0.6/0.4/5)","","- Ba Ca0.2 Cu0.6 Nd1.8 Ni0.4 O5 -","- Ba Ca0.2 Cu0.6 Nd1.8 Ni0.4 O5 -","- Ba2 Ca0.4 Cu1.2 Nd3.6 Ni0.8 O10 -","2","0.125","","Barbey, L; Nguyen, N; Raveau, B","Nd~2~BaCuO~5~-type structure: nickel in square planar coordination and copper mixed valency","Journal of Solid State Chemistry","1993","102","","156","163","10.1006/jssc.1993.1018","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001559","3.8349","0.0001","3.8349","0.0001","30.664","0.001","90","","90","","90","","451","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Lead strontium iron oxide (0.8/4/2/9)","","- Fe2 O9 Pb0.78 Sr4 -","- Fe2 O9 Pb0.7848 Sr4 -","- Fe4 O18 Pb1.5696 Sr8 -","2","0.0625","","Lucas, S; Groult, D; Nguyen, N; Michel, C; Hervieu, M; Raveau, B","Pb~1-x~Sr~4~Fe~2~O~9-d~: a layered iron oxide intergrowth of 1201- and 0201-type structures","Journal of Solid State Chemistry","1993","102","","20","30","10.1006/jssc.1993.1004","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001560","10.544","0.001","8.098","0.002","15.362","0.001","90","","94.006","0.008","90","","1308.5","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicaesium tecto-hydroxotrichromatoarsenate","","- As Cr3 Cs2 H O13 -","- As Cr3 Cs2 H1.5 O13 -","- As4 Cr12 Cs8 H6 O52 -","4","1","","Goreaud, M","Structures comparees de (NH~4~)~2~AsCr~3~O~12~(OH) et Cs~2~AsCr~3~O~12~(OH): tendance a la formation d'une charpente tridimensionelle par association d'heteropolyanions","Journal of Solid State Chemistry","1993","102","","236","241","10.1006/jssc.1993.1027","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001561","12.485","","12.485","","12.485","","90","","90","","90","","1946.1","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Tricalcium ditin(IV) silicon digallium oxide","","- Ca3 Ga2 O12 Si Sn2 -","- Ca3 Ga2.0001 O12 Si0.9999 Sn2 -","- Ca24 Ga16.0008 O96 Si7.9992 Sn16 -","8","0.0833333","","Rulmont, A; Tarte, P; Cartie, B; Choisnet, J","Solid solutions Ca~3~Sn~2+x~Si(Ge)~1-x~Ga~2~O~12~ (0<x<0.95) and tetrahedral coordination of Sn^4+^ in the garnet structure","Journal of Solid State Chemistry","1993","104","","165","176","10.1006/jssc.1993.1150","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001562","12.494","","12.494","","12.494","","90","","90","","90","","1950.3","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Calcium tin silicon gallium oxide (3/2.1/1/2/12)","","- Ca3 Ga2 O12 Si0.95 Sn2.05 -","- Ca3 Ga2.0001 O12 Si0.9501 Sn2.0498 -","- Ca24 Ga16.0008 O96 Si7.6008 Sn16.3984 -","8","0.0833333","","Rulmont, A; Tarte, P; Cartie, B; Choisnet, J","Solid solutions Ca~3~Sn~2+x~Si(Ge)~1-x~Ga~2~O~12~ (0<x<0.95) and tetrahedral coordination of Sn^4+^ in the garnet structure","Journal of Solid State Chemistry","1993","104","","165","176","10.1006/jssc.1993.1150","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001563","12.679","","12.679","","12.679","","90","","90","","90","","2038.2","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Calcium tin silicon gallium oxide (3/3/.05/2/12)","","- Ca3 Ga2 O12 Si0.05 Sn2.95 -","- Ca3 Ga2.0001 O12 Si0.0498 Sn2.9501 -","- Ca24 Ga16.0008 O96 Si0.3984 Sn23.6008 -","8","0.0833333","","Rulmont, A; Tarte, P; Cartie, B; Choisnet, J","Solid solutions Ca~3~Sn~2+x~Si(Ge)~1-x~Ga~2~O~12~ (0<x<0.95) and tetrahedral coordination of Sn^4+^ in the garnet structure","Journal of Solid State Chemistry","1993","104","","165","176","10.1006/jssc.1993.1150","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001564","10.0846","0.0007","10.2309","0.0006","10.8283","0.0009","112.757","0.005","109.226","0.007","104.675","0.005","874.9","","","","","","","","","","","","","4","P -1","-P 1","2","","Potassium tecto-phosphatovanadate(III) *","","- K O24 P7 V4 -","- K O24 P7 V4 -","- K2 O48 P14 V8 -","2","1","","Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","A vanadium(III) phosphate with V~2~O~10~ octahedral units: KV~4~P~7~O~24~","Journal of Solid State Chemistry","1993","104","","193","201","10.1006/jssc.1993.1153","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001565","9.867","0.002","10.122","0.001","9.903","0.002","90","","97.95","0.01","90","","979.5","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dipotassium tecto-diphosphatodimolybdate(V)","","- K2 Mo2 O11 P2 -","- K2 Mo2 O11 P2 -","- K8 Mo8 O44 P8 -","4","1","","Gueho, C; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","A Mo(V) monophosphate with an intersecting tunnel structure: K~2~Mo~2~P~2~O~11~","Journal of Solid State Chemistry","1993","104","","202","208","10.1006/jssc.1993.1154","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001566","5.256","0.001","8.117","0.001","16.966","0.001","90","","91.46","0.01","90","","723.6","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Silver tecto-vanadato(IV)vanadatodiphosphate","","- Ag O10 P2 V2 -","- Ag O10 P2 V2 -","- Ag4 O40 P8 V8 -","4","1","","Grandin, A; Chardon, J; Borel, M M; Leclaire, A; Raveau, B","A mixed valent vanadium phosphate closely related to BaV~2~P~2~O~10~: AgV~2~P~2~O~10~","Journal of Solid State Chemistry","1993","104","","226","231","10.1006/jssc.1993.1157","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001567","7.9638","0.0007","7.9958","0.0005","10.3345","0.0007","90","","95.067","0.006","90","","655.5","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Lanthanum molybdenum oxide (5/4/16)","","- La5 Mo4 O16 -","- La5 Mo4 O16 -","- La10 Mo8 O32 -","2","0.25","","Ledesert, M; Labbe, Ph; McCarroll, W H; Leligny, H; Raveau, B","La~5~Mo~4~O~16~: a new structural type related to perovskite withextremely short Mo-Mo bonds","Journal of Solid State Chemistry","1993","105","","143","150","10.1006/jssc.1993.1202","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001568","16.861","0.001","4.71","0.001","24.16","0.002","90","","103.07","0.01","90","","1869","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Pentacadmium tecto-divanado(III)vanado(IV)hexaphosphate","","- Cd5 O25 P6 V3 -","- Cd5 O25 P6 V3 -","- Cd20 O100 P24 V12 -","4","0.5","","Crespoa, P; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","A new mixed-valent vanadium phosphate with a tunnel structure Cd~5~V~3~P~6~O~25~","Journal of Solid State Chemistry","1993","105","","307","312","10.1006/jssc.1993.1221","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001569","12.0717","0.0002","12.0717","0.0002","3.8737","0.0001","90","","90","","90","","564.5","","","","","","","","","","","","","4","P -4 n 2","P -4 -2n","118","","Dineodymium tetrabarium dicopper oxide","","- Ba4 Cu2 Nd2 O9 -","- Ba4 Cu2 Nd2 O9 -","- Ba8 Cu4 Nd4 O18 -","2","0.25","","Domenges, B; Abbattista, F; Michel, C; Vallino, M; Barbey, L; Nguyen, N; Raveau, B","A one-dimensional cuprate closely related to the ""0212""-structure: Nd~2~Ba~4~Cu~2~O~9~","Journal of Solid State Chemistry","1993","106","","271","281","10.1006/jssc.1993.1286","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001570","5.4071","0.0003","5.4895","0.0004","24.549","0.002","90","","90","","90","","728.7","","","","","","","","","","","","","6","P n a n","-P 2n 2bc","52","","Bismuth lead barium lanthanum copper oxide","","- Ba Bi Cu La O6 Pb -","- Ba Bi Cu La O6 Pb -","- Ba4 Bi4 Cu4 La4 O24 Pb4 -","4","0.5","","Michel, C; Pelloquin, D; Hervieu, M; Raveau, B; Bouree, F","Neutron diffraction study of the modulation free 2201-type structure: BiPbBaLaCuO~6~","European Journal of Solid State Inorganic Chemistry","1993","30","","991","996","","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001571","5.469","0.002","5.483","0.002","54.26","0.01","90","","90","","90","","1627.1","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","Dibismuth pentastrontium tricopper bis(carbonate) decaoxide","","- C2 Bi2 Cu3 O16 Sr5 -","- C2 Bi2 Cu3 O16 Sr4.998 -","- C8 Bi8 Cu12 O64 Sr19.992 -","4","0.125","","Pelloquin, D; Maignan, A; Caldes, M; Hervieu, M; Michel, C; Raveau, B","The bismuth oxycarbonate Bi~2~Sr~6-x~Cu~3~O~10~(CO~3~)~2~. A new 40K superconductor, second member of the series (Bi~2~Sr~2~CuO~6~)~n~(Sr~2~CuO~2~CO~3~)~n~'","Physica C (Amsterdam) (152,1988-)","1993","212","","199","205","10.1016/0921-4534(93)90503-I","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001572","3.87","0.001","3.87","0.001","12.537","0.001","90","","90","","90","","187.8","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Yttrium calcium barium mercury copper oxide (0.6/0.4/2/0.7/2/6.6)","","- Ba2 Ca0.4 Cu2 Hg0.73 O6.6 Y0.6 -","- Ba2 Ca0.4 Cu2 Hg0.73 O6.6 Y0.6 -","- Ba2 Ca0.4 Cu2 Hg0.73 O6.6 Y0.6 -","1","0.0625","","Maignan, A; Van Tendeloo, G; Hervieu, M; Michel, C; Raveau, B","A new ""1212"" mercury-based 90K superconductor: Y~0.6~Ca~0.4~Ba~2~(Hg~1- x~M~x~)Cu~2~O~6+y~","Physica C (Amsterdam) (152,1988-)","1993","212","","239","244","10.1016/0921-4534(93)90510-W","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001573","3.7753","0.0002","3.7753","0.0002","8.8765","0.0005","90","","90","","90","","126.5","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Mercury bismuth strontium lanthanum copper oxide (0.5/0.5/1.5/0.5/1/5)","","- Bi0.5 Cu Hg0.5 La0.5 O5 Sr1.5 -","- Bi0.5 Cu Hg0.5 La0.5 O5 Sr1.5 -","- Bi0.5 Cu Hg0.5 La0.5 O5 Sr1.5 -","1","0.0625","","Pelloquin, D; Michel, C; Van Tendeloo, G; Maignan, A; Hervieu, M; Raveau, B","A new ""1201"" mercury cuprate. The 27K-superconductor Hg~0.5~Bi~0.5~Sr~2- x~La~x~CuO~5-d~","Physica C (Amsterdam) (152,1988-)","1993","214","","87","92","10.1016/0921-4534(93)90111-3","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001574","3.8259","0.0002","3.8259","0.0002","12.0029","0.0006","90","","90","","90","","175.7","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Mercury bismuth strontium neodymium calcium copper oxide (0.5/0.5/2/0.6/0.4/2/6.6)","","- Bi0.5 Ca0.4 Cu2 Hg0.5 Nd0.6 O6.6 Sr2 -","- Bi0.5 Ca0.4 Cu2 Hg0.5 Nd0.6 O6.6 Sr2 -","- Bi0.5 Ca0.4 Cu2 Hg0.5 Nd0.6 O6.6 Sr2 -","1","0.0625","","Pelloquin, D; Hervieu, M; Michel, C; Van Tendeloo, G; Maignan, A; Raveau, B","A 94K Hg-based superconductor with a ""1212"" structure Hg~0.5~Bi~0.5~Sr~2~Ca~1-x~R~x~Cu~2~O~6+d~ (R=Nd,Y,Pr)","Physica C (Amsterdam) (152,1988-)","1993","216","","257","263","10.1016/0921-4534(93)90069-3","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001575","3.8584","0.0001","3.8584","0.0001","42.2031","0.0009","90","","90","","90","","628.3","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Dithallium(III) mercury tetrabarium dicopper oxide","","- Ba4 Cu2 Hg O10 Tl2 -","- Ba4 Cu2 Hg O10 Tl2 -","- Ba8 Cu4 Hg2 O20 Tl4 -","2","0.0625","","Martin, C; Huve, M; Van Tendeloo, G; Maignan, A; Michel, C; Hervieu, M; Raveau, B","A mercury-based superconducting cuprate, intergrowth of the 2201 and 1201 structures Tl~2~HgBa~4~Cu~2~O~10+y~","Physica C (Amsterdam) (152,1988-)","1993","212","","274","278","10.1016/0921-4534(93)90590-M","","","","","","0.101","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001576","3.8274","0.0004","3.8274","0.0004","15.524","0.003","90","","90","","90","","227.4","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium barium strontium calcium copper oxide (1.2/0.7/1.3/1.8/3/9)","","- Ba0.72 Ca1.84 Cu3 O9 Sr1.28 Tl1.16 -","- Ba0.72 Ca1.84 Cu3 O9 Sr1.28 Tl1.16 -","- Ba0.72 Ca1.84 Cu3 O9 Sr1.28 Tl1.16 -","1","0.0625","","Martin, C; Maignan, A; Huve, M; Labbe, Ph; Ledesert, M; Leligny, H; Raveau, B","A Sr-rich 1223 cuprate, Tl~1+x~Ba~2/3~Sr~4/3~Ca~2-x~Cu~3~O~9~ with a T~c~ of 110K . A single-crystal study.","Physica C (Amsterdam) (152,1988-)","1993","217","","106","112","10.1016/0921-4534(93)90799-V","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001577","5.468","0.005","5.427","0.005","39.53","0.004","90","","90","","90","","1173","","","","","","","","","","","","","6","A b m m","-A 2b 2b","67","","Bismuth lead strontium copper oxide carbonate (1.5/0.5/3.5/2/8/1)","","- C Bi1.5 Cu2 O11 Pb0.5 Sr3.5 -","- C Bi1.5 Cu2 O11 Pb0.5 Sr3.5 -","- C4 Bi6 Cu8 O44 Pb2 Sr14 -","4","0.25","","Pelloquin, D; Caldes, M T; Michel, C; Maignan, A; Hervieu, M; Raveau, B","Lead substitution in the 30K-superconductor Bi~2~Sr~4-y~Cu~2~CO~3~O~8-d~","Physica C (Amsterdam) (152,1988-)","1993","217","","27","33","10.1016/0921-4534(93)90791-N","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001578","3.8706","0.0004","3.8706","0.0004","11.612","0.001","90","","90","","90","","174","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper carbonate oxide (1/2/2.95/0.35/6.6)","","- C0.35 Ba2 Cu2.95 O7.65 Y -","- C0.35 Ba2 Cu2.95 O7.64 Y -","- C0.35 Ba2 Cu2.95 O7.64 Y -","1","0.0625","","Gotor, F J; Odier, P; Gervais, M; Choisnet, J; Monod, Ph","Synthesis of YBa~2~Cu~3~O~7-x~ by sol-gel route. Formation of YBaCuO oxycarbonate intermediate","Physica C (Amsterdam) (152,1988-)","1993","218","","429","436","10.1016/0921-4534(93)90046-S","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001579","3.8244","0.0001","3.8244","0.0001","16.516","0.001","90","","90","","90","","241.6","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium lead strontium copper carbonate oxide (0.5/0.5/4/2/1/7)","","- C Cu2 O10 Pb0.5 Sr4 Tl0.5 -","- C Cu2 O10 Pb0.5 Sr4 Tl0.5 -","- C Cu2 O10 Pb0.5 Sr4 Tl0.5 -","1","0.0625","","Huve, M; Michel, C; Maignan, A; Hervieu, M; Martin, C; Raveau, B","A 70K superconductor. The oxycarbonate Tl~0.5~Pb~0.5~Sr~4~Cu~2~(CO~3~)O~7~","Physica C (Amsterdam) (152,1988-)","1993","205","","219","224","10.1016/0921-4534(93)90386-5","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001580","3.8385","0.0001","3.8385","0.0001","29.5815","0.0011","90","","90","","90","","435.9","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Thallium lead strontium gadolinium copper oxide (0.5/0.5/2/2/2/9)","","- Cu2 Gd2 O9 Pb0.5 Sr2 Tl0.5 -","- Cu2 Gd2 O9 Pb0.5 Sr2 Tl0.5 -","- Cu4 Gd4 O18 Pb Sr4 Tl -","2","0.0625","","Vijayaraghavan, R; Michel, C; Maignan, A; Hervieu, M; Martin, C; Raveau, B; Rao, C N R","Structure and properties of Tl~0.5~Pb~0.5~Sr~2~Gd~2-x~Ce~x~Cu~2~O~9-d~","Physica C (Amsterdam) (152,1988-)","1993","206","","81","89","10.1016/0921-4534(93)90704-T","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001581","3.8429","0.0001","3.8429","0.0001","29.5096","0.001","90","","90","","90","","435.8","","","","","","","","","","","","","7","I 4/m m m","-I 4 2","139","","Thallium lead strontium gadolinium cerium copper oxide (0.5/0.5/2/1.6/0.4/2/9)","","- Ce0.4 Cu2 Gd1.6 O9 Pb0.5 Sr2 Tl0.5 -","- Ce0.4 Cu2 Gd1.6 O9 Pb0.5 Sr2 Tl0.5 -","- Ce0.8 Cu4 Gd3.2 O18 Pb Sr4 Tl -","2","0.0625","","Vijayaraghavan, R; Michel, C; Maignan, A; Hervieu, M; Martin, C; Raveau, B; Rao, C N R","Structure and properties of Tl~0.5~Pb~0.5~Sr~2~Gd~2-x~Ce~x~Cu~2~O~9-d~","Physica C (Amsterdam) (152,1988-)","1993","206","","81","89","10.1016/0921-4534(93)90704-T","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001582","15.311","","3.851","","22.371","","90","","90","","90","","1319.1","","","","","","","","","","","","","5","B m 2 m","B -2 -2","35","","Yttrium strontium copper carbonate oxide (4/8/11/1/25)","","- C Cu11 O28 Sr8 Y4 -","- C Cu11 O28 Sr8 Y4 -","- C2 Cu22 O56 Sr16 Y8 -","2","0.25","","Domenges, B; Hervieu, M; Raveau, B","Ordered substitution of ""CO~3~"" groups for CuO~4~ square groups in the ""123"" structure. The oxycarbonate Y~4~Sr~8~Cu~11~CO~3~O~25~, n=4 member of the series Y~n~Sr~2n~Cu~3n-1~CO~3~O~7n-3~","Physica C (Amsterdam) (152,1988-)","1993","207","","65","78","10.1016/0921-4534(93)90424-O","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001583","5.466","0.002","5.46","0.002","39.5","0.009","90","","90","","90","","1178.9","","","","","","","","","","","","","5","A b m m","-A 2b 2b","67","","Dibismuth tetrastrontium dicopper carbonate oxide","","- C Bi2 Cu2 O11 Sr4 -","- C Bi2 Cu2 O11 Sr4 -","- C4 Bi8 Cu8 O44 Sr16 -","4","0.25","","Pelloquin, D; Caldes, M; Maignan, A; Michel, C; Hervieu, M; Raveau, B","The bismuth oxycarbonate Bi~2~Sr~4~Cu~2~CO~3~O~8~. A new superconductor with a T~c~ of 30K","Physica C (Amsterdam) (152,1988-)","1993","208","","121","129","10.1016/0921-4534(93)90678-J","","","","","","0.13","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001584","3.8309","0.0002","3.8309","0.0002","16.518","0.001","90","","90","","90","","242.4","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium bismuth strontium copper carbonate oxide (0.5/0.5/4/2/1/7)","","- C Bi0.5 Cu2 O10 Sr4 Tl0.5 -","- C Bi0.5 Cu2 O10 Sr4 Tl0.5 -","- C Bi0.5 Cu2 O10 Sr4 Tl0.5 -","1","0.0625","","Maignan, A; Huve, M; Michel, C; Hervieu, M; Martin, C; Raveau, B","A 55K superconducting copper oxycarbonate: Tl~1- x~Bi~x~Sr~4~Cu~2~CO~3~O~7~","Physica C (Amsterdam) (152,1988-)","1993","208","","149","154","10.1016/0921-4534(93)90682-G","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001585","3.938","0.001","3.938","0.001","31.213","0.005","90","","90","","90","","484","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Bismuth barium lanthanum copper oxide (1.6/2.5/0.9/2/8.3)","","- Ba2.5 Bi1.59 Cu2 La0.91 O8.25 -","- Ba2.5 Bi1.59 Cu2 La0.91 O8.0156 -","- Ba5 Bi3.18 Cu4 La1.82 O16.0312 -","2","0.0625","","Hervieu, M; Pham, A Q; Michel, C; Raveau, B","A 2212 bismuth cuprate with a non-modulated structure Bi~2- x~La~x~Ba~2.5~La~0.5~Cu~2~O~8.25~","Physica C (Amsterdam) (152,1988-)","1993","209","","449","455","10.1016/0921-4534(93)90559-9","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001586","3.8618","0.0001","3.8618","0.0001","11.691","0.0003","90","","90","","90","","174.4","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Yttrium calcium barium copper cobalt oxide (0.9/0.1/2/2.9/0.1/6.96)","","- Ba2 Ca0.14 Co0.12 Cu2.88 O6.96 Y0.86 -","- Ba2 Ca0.14 Co0.12 Cu2.88 O6.96 Y0.86 -","- Ba2 Ca0.14 Co0.12 Cu2.88 O6.96 Y0.86 -","1","0.0625","","Suard, E; Caignaert, V; Maignan, A; Bouree, F; Raveau, B","Influence of thermal treatment on Y~1-x~Ca~x~Ba~2~Cu~3-x~Co~x~O~7~. A neutron diffraction study","Physica C (Amsterdam) (152,1988-)","1993","210","","164","172","10.1016/0921-4534(93)90021-H","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001587","3.8649","0.0001","3.8649","0.0001","11.7053","0.0003","90","","90","","90","","174.8","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Yttrium calcium barium copper cobalt oxide (0.8/0.2/2/2.8/0.2/7)","","- Ba2 Ca0.18 Co0.24 Cu2.76 O7 Y0.82 -","- Ba2 Ca0.18 Co0.24 Cu2.76 O7 Y0.82 -","- Ba2 Ca0.18 Co0.24 Cu2.76 O7 Y0.82 -","1","0.0625","","Suard, E; Caignaert, V; Maignan, A; Bouree, F; Raveau, B","Influence of thermal treatment on Y~1-x~Ca~x~Ba~2~Cu~3-x~Co~x~O~7~. A neutron diffraction study","Physica C (Amsterdam) (152,1988-)","1993","210","","164","172","10.1016/0921-4534(93)90021-H","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001588","3.8646","0.0001","3.8646","0.0001","11.7257","0.0003","90","","90","","90","","175.1","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Yttrium calcium barium copper cobalt oxide (0.7/0.3/2/2.7/0.3/7)","","- Ba2 Ca0.27 Co0.3 Cu2.7 O7 Y0.73 -","- Ba2 Ca0.27 Co0.3 Cu2.7 O7 Y0.73 -","- Ba2 Ca0.27 Co0.3 Cu2.7 O7 Y0.73 -","1","0.0625","","Suard, E; Caignaert, V; Maignan, A; Bouree, F; Raveau, B","Influence of thermal treatment on Y~1-x~Ca~x~Ba~2~Cu~3-x~Co~x~O~7~. A neutron diffraction study","Physica C (Amsterdam) (152,1988-)","1993","210","","164","172","10.1016/0921-4534(93)90021-H","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001589","3.869","0.0001","3.869","0.0001","11.6982","0.0004","90","","90","","90","","175.1","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Yttrium calcium barium copper cobalt oxide (0.9/0.1/2/2.6/0.4/7.1)","","- Ba2 Ca0.15 Co0.36 Cu2.64 O7.05 Y0.85 -","- Ba2 Ca0.15 Co0.36 Cu2.64 O7.05 Y0.85 -","- Ba2 Ca0.15 Co0.36 Cu2.64 O7.05 Y0.85 -","1","0.0625","","Suard, E; Caignaert, V; Maignan, A; Bouree, F; Raveau, B","Influence of thermal treatment on Y~1-x~Ca~x~Ba~2~Cu~3-x~Co~x~O~7~. A neutron diffraction study","Physica C (Amsterdam) (152,1988-)","1993","210","","164","172","10.1016/0921-4534(93)90021-H","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001590","3.8424","0.0002","3.881","0.0002","11.6821","0.0005","90","","90","","90","","174.2","","","","","","","","","","","","","6","P m m m","-P 2 2","47","","Yttrium calcium barium copper cobalt oxide (0.9/0.1/2/2.9/0.1/7.01)","","- Ba2 Ca0.15 Co0.12 Cu2.88 O7.01 Y0.85 -","- Ba2 Ca0.15 Co0.12 Cu2.88 O7.01 Y0.85 -","- Ba2 Ca0.15 Co0.12 Cu2.88 O7.01 Y0.85 -","1","0.125","","Suard, E; Caignaert, V; Maignan, A; Bouree, F; Raveau, B","Influence of thermal treatment on Y~1-x~Ca~x~Ba~2~Cu~3-x~Co~x~O~7~. A neutron diffraction study","Physica C (Amsterdam) (152,1988-)","1993","210","","164","172","10.1016/0921-4534(93)90021-H","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001591","3.8666","0.0001","3.8666","0.0001","11.6726","0.0004","90","","90","","90","","174.5","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Yttrium calcium barium copper cobalt oxide (0.7/0.3/2/2.6/0.4/7.1)","","- Ba2 Ca0.27 Co0.36 Cu2.64 O7.05 Y0.73 -","- Ba2 Ca0.27 Co0.36 Cu2.64 O7.05 Y0.73 -","- Ba2 Ca0.27 Co0.36 Cu2.64 O7.05 Y0.73 -","1","0.0625","","Suard, E; Caignaert, V; Maignan, A; Bouree, F; Raveau, B","Influence of thermal treatment on Y~1-x~Ca~x~Ba~2~Cu~3-x~Co~x~O~7~. A neutron diffraction study","Physica C (Amsterdam) (152,1988-)","1993","210","","164","172","10.1016/0921-4534(93)90021-H","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001592","9.945","0.001","10.156","0.001","9.974","0.002","90","","97.64","0.01","90","","998.4","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dithallium tecto-dimolybdo(V)diphosphate","","- Mo2 O11 P2 Tl2 -","- Mo2 O11 P2 Tl2 -","- Mo8 O44 P8 Tl8 -","4","1","","Guesdon, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Structure of Tl~2~Mo~2~P~2~O~11~","Acta Crystallographica C (39,1983-)","1993","49","","1877","1879","","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001593","7.8654","0.0005","10.0104","0.0007","16.2715","0.0008","90","","90","","90","","1281.1","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Potassium tecto-vanadatophosphate *","","- K O17 P4 V3 -","- K O17 P4 V3 -","- K4 O68 P16 V12 -","4","1","","Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","A new mixed-valence vanadium phosphate with an intersecting tunnel structure: KV~3~P~4~O~17~","Journal of Solid State Chemistry","1992","97","","131","140","10.1016/0022-4596(92)90017-P","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001594","3.8432","0.0001","3.8432","0.0001","27.422","0.001","90","","90","","90","","405","","","","","","","","","","","","","6","I 4 m m","I 4 -2","107","","Lead barium strontium yttrium copper oxide (0.99/0.93/1.1/1/3.01/7)","","- Ba0.93 Cu3.01 O7 Pb0.99 Sr1.07 Y -","- Ba0.93 Cu3.01 O7 Pb0.99 Sr1.07 Y -","- Ba1.86 Cu6.02 O14 Pb1.98 Sr2.14 Y2 -","2","0.125","","Rouillon, T; Caignaert, V; Hervieu, M; Michel, C; Groult, D; Raveau, B","PbBaSrYCu~3~O~7~: a ""0223"" structure, intergrowth of single rock salt layers and triple oxygen-deficient perovskite layers; X-ray, neutron diffraction, and electron microscopy study","Journal of Solid State Chemistry","1992","97","","56","64","10.1016/0022-4596(92)90009-K","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001595","3.8436","0.0001","3.8436","0.0001","27.42599","0.001","90","","90","","90","","405.2","","","","","","","","","","","","","6","I 4 m m","I 4 -2","107","","Lead barium strontium yttrium copper oxide (1/1/1/1/3/7.01)","","- Ba Cu3 O7.01 Pb Sr Y -","- Ba Cu3 O7.01 Pb Sr Y -","- Ba2 Cu6 O14.02 Pb2 Sr2 Y2 -","2","0.125","","Rouillon, T; Caignaert, V; Hervieu, M; Michel, C; Groult, D; Raveau, B","PbBaSrYCu~3~O~7~: a ""0223"" structure, intergrowth of single rock salt layers and triple oxygen-deficient perovskite layers; X-ray, neutron diffraction, and electron microscopy study","Journal of Solid State Chemistry","1992","97","","56","64","10.1016/0022-4596(92)90009-K","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001596","4.7833","0.0006","6.9698","0.0008","7.7644","0.0008","89.41","0.01","87.77","0.01","73.16","0.01","247.6","","","","","","","","","","","","","4","P -1","-P 1","2","","Cadmium divanadium(III) bis(diphosphate)","","- Cd O14 P4 V2 -","- Cd O14 P4 V2 -","- Cd O14 P4 V2 -","1","0.5","","Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B","CdV~2~(P~2~O~7~)~2~","Acta Crystallographica C (39,1983-)","1994","50","","840","842","","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001597","3.8244","0.0001","3.8244","0.0001","16.51599","0.001","90","","90","","90","","241.6","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium lead strontium copper carbonate oxide (0.5/0.5/4/2/1/7)","","- C Cu2 O10 Pb0.5 Sr4 Tl0.5 -","- C Cu2 O10 Pb0.5 Sr4 Tl0.5 -","- C Cu2 O10 Pb0.5 Sr4 Tl0.5 -","1","0.0625","","Hervieu, M; Michel, C; Huve, M; Martin, C; Maignan, A; Raveau, B","High resolution electron microscopy study of the high T~c~ superconductor Tl~0.5~Pb~0.5~Sr~4~Cu~2~CO~3~O~7~","Microscopy, Microanalysis, Microstructures","1993","4","","41","50","10.1051/mmm:019930040104100","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001598","8.174","0.001","6.392","0.001","10.55","0.001","90","","111.66","0.01","90","","512.3","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Silver phyllo-molybdophosphate *","","- Ag Mo3 O14 P2 -","- Ag Mo3 O14 P2 -","- Ag2 Mo6 O28 P4 -","2","0.5","","Borel, M M; Guesdon, A; Leclaire, A; Grandin, A; Raveau, B","New mixed-valent molybdenum monophosphates with the KMo~3~P~2~O~14~ structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","569","573","10.1002/zaac.19946200331","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001599","8.288","0.001","6.43","0.001","10.648","0.003","90","","112.83","0.02","90","","523","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Strontium phyllo-molybdophosphate *","","- Mo3 O14 P2 Sr -","- Mo3 O14 P2 Sr -","- Mo6 O28 P4 Sr2 -","2","0.5","","Borel, M M; Guesdon, A; Leclaire, A; Grandin, A; Raveau, B","New mixed-valent molybdenum monophosphates with the KMo~3~P~2~O~14~ structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","569","573","10.1002/zaac.19946200331","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001600","12.446","0.001","12.547","0.002","6.487","0.001","90","","115.66","0.01","90","","913.1","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tricadmium tecto-tetravanadato(III)hexaphosphate","","- Cd3 O24 P6 V4 -","- Cd3 O24 P6 V4 -","- Cd6 O48 P12 V8 -","2","0.25","","Boudin, S; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","A trivalent vanadium monophosphate with a tunnel structure: Cd~3~V~4~(PO~4~)~6~","Journal of Solid State Chemistry","1994","110","","43","49","10.1006/jssc.1994.1133","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001601","3.8935","0.0002","3.8935","0.0002","19.08499","0.002","90","","90","","90","","289.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Europium barium cobalt copper oxide (2.5/2.5/2/3/12)","","- Ba2.5 Co2 Cu3 Eu2.5 O12 -","- Ba2.5 Co2.001 Cu2.999 Eu2.5 O12 -","- Ba2.5 Co2.001 Cu2.999 Eu2.5 O12 -","1","0.0625","","Barbey, L; Domenges, B; Nguyen, N; Raveau, B","Eu~2.5~Ba~2.5~Co~2~Cu~3~O~12~, an intergrowth of the ""112"" and ""123"" structures","Journal of Solid State Chemistry","1994","111","","238","246","10.1006/jssc.1994.1223","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001602","10.819","0.001","19.515","0.003","9.609","0.001","90","","97.74","0.01","90","","2010.3","","","","","","","","","","","","","3","I 1 a 1","I -2ya","9","","Molybdenum(III) catena-phosphate","","- Mo O9 P3 -","- Mo O9 P3 -","- Mo12 O108 P36 -","12","3","","Watson, I M; Borel, M M; Chardon, J; Leclaire, A","Structure of the trivalent molybdenum metaphosphate Mo(PO~3~)~3~","Journal of Solid State Chemistry","1994","111","","253","256","10.1006/jssc.1994.1225","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001603","10.084","0.001","21.297","0.003","17.491","0.001","90","","90","","90","","3756.3","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Hexacaesium tecto-pentamolybdo(V)dimolybdo(IV)heptaphosphate hydrate","","- Cs6 H2 Mo7 O38 P7 -","- Cs6 H3 Mo7 O38 P7 -","- Cs24 H12 Mo28 O152 P28 -","4","0.5","","Guesdon, A; Borel, M M; Leclaire, A; Grandin, A; Raveau, B","A mixed-valent molybdenum monophosphate with a ""butterfly""-shaped tunnel structure Cs~6~Mo~7~O~9~(PO~4~)~7~ . H~2~O","Journal of Solid State Chemistry","1994","111","","315","321","10.1006/jssc.1994.1233","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001604","4.712","0.001","10.791","0.001","5.62","0.001","90","","97.34","0.01","90","","283.4","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicadmium phosphovanadate","","- Cd2 O7 P V -","- Cd2 O7 P V -","- Cd4 O14 P2 V2 -","2","0.5","","Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B","The diphosphovanadate Cd~2~VPO~7~: a mixed framework with pseudo-close- packed octahedral layers connected through ditetrahedral VPO~7~ groups","Journal of Solid State Chemistry","1994","111","","365","369","10.1006/jssc.1994.1240","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001605","14.308","0.002","6.318","0.001","7.248","0.001","90","","90","","90","","655.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cadmium tecto-divanadatodiphosphate","","- Cd O9 P2 V2 -","- Cd O9 P2 V2 -","- Cd4 O36 P8 V8 -","4","0.5","","Boudin, S; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","A vanadium(III) monophosphate built up from rutile chains: CdV~2~O(PO~4~)~2~","Journal of Solid State Chemistry","1994","111","","380","384","10.1006/jssc.1994.1242","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001606","3.84845","0.00008","3.84845","0.00008","30.68379","0.0008","90","","90","","90","","454.4","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Lead(IV) strontium iron(III) oxide","","- Fe2 O9 Pb1.01 Sr4 -","- Fe2 O9 Pb1.01 Sr4 -","- Fe4 O18 Pb2.02 Sr8 -","2","0.0625","","Caignaert, V; Daniel, Ph; Nguyen, N; Ducouret, A; Groult, D; Raveau, B","Structure refinement of the 0201-1201 intergrowth-type ferrite PbSr~4~Fe~2~O~9~: powder neutron diffraction and Moessbauer spectroscopy studies","Journal of Solid State Chemistry","1994","112","","126","131","10.1006/jssc.1994.1276","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001607","3.8724","","3.8724","","7.4953","","90","","90","","90","","112.4","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium cobalt copper oxide (1/1/1.6/0.4/5)","","- Ba Co1.6 Cu0.4 O5 Y -","- Ba Co1.6 Cu0.4 O5 Y -","- Ba Co1.6 Cu0.4 O5 Y -","1","0.0625","","Barbey, L; Nguyen, N; Caignaert, V; Studer, F; Raveau, B","Spin state and variation of the spin orientation of Co(III) in the 112- type phase YBa(Co~2-x~Cu~x~)O~5~","Journal of Solid State Chemistry","1994","112","","148","156","10.1006/jssc.1994.1279","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001608","3.8675","","3.8675","","7.5238","","90","","90","","90","","112.5","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium cobalt copper oxide (1/1/1.2/0.8/5)","","- Ba Co1.2 Cu0.8 O5 Y -","- Ba Co1.2 Cu0.8 O5 Y -","- Ba Co1.2 Cu0.8 O5 Y -","1","0.0625","","Barbey, L; Nguyen, N; Caignaert, V; Studer, F; Raveau, B","Spin state and variation of the spin orientation of Co(III) in the 112- type phase YBa(Co~2-x~Cu~x~)O~5~","Journal of Solid State Chemistry","1994","112","","148","156","10.1006/jssc.1994.1279","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001609","3.8666","","3.8666","","7.5266","","90","","90","","90","","112.5","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium cobalt copper oxide (1/1/1.1/0.9/5)","","- Ba Co1.1 Cu0.9 O5 Y -","- Ba Co1.1 Cu0.9 O5 Y -","- Ba Co1.1 Cu0.9 O5 Y -","1","0.0625","","Barbey, L; Nguyen, N; Caignaert, V; Studer, F; Raveau, B","Spin state and variation of the spin orientation of Co(III) in the 112- type phase YBa(Co~2-x~Cu~x~)O~5~","Journal of Solid State Chemistry","1994","112","","148","156","10.1006/jssc.1994.1279","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001610","14.222","0.001","14.223","0.001","19.22699","0.004","90","","90","","90","","3889.2","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","Rubidium oxide oxomolybdenum phosphate (3/2/4/4)","","- Mo4 O22 P4 Rb3 -","- Mo4 O22 P4 Rb3 -","- Mo32 O176 P32 Rb24 -","8","1","","Borel, M M; Leclaire, A; Guesdon, A; Grandin, A; Raveau, B","Mixed valent molybdenum monophosphates with an intersecting tunnel structure: A~3~O~2~(MoO)~4~(PO~4~)~4~ (A=Rb, Tl)","Journal of Solid State Chemistry","1994","112","","15","21","10.1006/jssc.1994.1257","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001611","7.475","0.001","7.475","0.001","11.156","0.001","90","","90","","90","","623.3","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","Barium phyllo-tetramolybdo(V)diphosphate","","- Ba Mo4 O16 P2 -","- Ba Mo4 O16 P2 -","- Ba2 Mo8 O32 P4 -","2","0.125","","Borel, M M; Chardon, J; Leclaire, A; Grandin, A; Raveau, B","A molybdenum(V) monophosphate with a layer structure, BaMo~4~O~8~(PO~4~)~2~","Journal of Solid State Chemistry","1994","112","","317","321","10.1006/jssc.1994.1311","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001612","3.9322","0.0001","3.9322","0.0001","31.23999","0.001","90","","90","","90","","483","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Bismuth barium lanthanum copper oxide (1.5/2.5/1/2/8.2)","","- Ba2.5 Bi1.5 Cu2 La O8.24 -","- Ba2.5 Bi1.5 Cu2 La O8.244 -","- Ba5 Bi3 Cu4 La2 O16.488 -","2","0.0625","","Michel, C; Pelloquin, D; Hervieu, M; Raveau, B","Neutron diffraction study of the nonmodulated 2212-type cuprate Bi~1.5~Ba~2.5~LaCu~2~O~8.25~","Journal of Solid State Chemistry","1994","112","","362","366","10.1006/jssc.1994.1317","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001613","9.973","0.002","10.18","0.002","10.012","0.001","90","","97.7","0.01","90","","1007.3","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dirubidium dimolybdenum(V) bis(phosphate) trioxide","","- Mo2 O11 P2 Rb2 -","- Mo2 O11 P2 Rb2 -","- Mo8 O44 P8 Rb8 -","4","1","","Guesdon, A; Leclaire, A; Borel, M M; Grandin, A; Raveau, B","An Mo^V^ monophosphate, Rb~2~Mo~2~P~2~O~11~","Acta Crystallographica C (39,1983-)","1994","50","","1852","1854","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001614","9.789","0.001","9.752","0.001","12.347","0.001","90","","128.81","0.01","90","","918.5","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Rubidium tecto-molybdophosphate hydrate *","","- H1.8 Mo2 O10.9 P2 Rb -","- H1.8 Mo2 O10.9 P2 Rb -","- H7.2 Mo8 O43.6 P8 Rb4 -","4","1","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","The mixed valent molybdenum monophosphate RbMo~2~P~2~O~10~.(1-x)H~2~O: an intersecting tunnel structure isotypic with leucophosphite","Journal of Solid State Chemistry","1994","108","","177","183","10.1006/jssc.1994.1027","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001615","7.7704","0.0006","3.8876","0.0003","22.98119","0.0008","90","","90","","90","","694.2","","","","","","","","","","","","","6","B m 2 m","B -2 -2","35","","Yttrium calcium barium copper carbonate oxide (1.3/0.7/4/5/1/11)","","- C Ba4 Ca0.7 Cu5 O14 Y1.3 -","- C Ba4 Ca0.7 Cu5 O14 Y1.3 -","- C2 Ba8 Ca1.4 Cu10 O28 Y2.6 -","2","0.25","","Domenges, B; Boullay, Ph; Hervieu, M; Raveau, B","The substitution of CO~3~ groups for copper in Y~1- x~Ca~x~Ba~2~Cu~3~O~7~: HREM study","Journal of Solid State Chemistry","1994","108","","219","229","10.1006/jssc.1994.1035","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001616","17.74699","0.002","18.05099","0.002","9.344","0.001","90","","117.03","0.01","90","","2666.4","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dilead oxovanadium(IV) tecto-divanadato(III)tetraphosphate","","- O17 P4 Pb2 V3 -","- O17 P4 Pb2 V3 -","- O136 P32 Pb16 V24 -","8","1","","Leclaire, A; Chardon, J; Grandin, A; Borel, M M; Raveau, B","The monophosphate Pb~2~V~2~VO(PO~4~)~4~: a tunnel structure with the mixed valence V(III)-V(IV)","Journal of Solid State Chemistry","1994","108","","291","298","10.1006/jssc.1994.1045","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001617","10.134","0.001","10.104","0.001","9.952","0.001","90","","100.44","0.01","90","","1002.2","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Caesium tecto-molybdophosphate *","","- Cs1.5 Mo2 O11 P2 -","- Cs1.5 Mo2 O11 P2 -","- Cs6 Mo8 O44 P8 -","4","1","","Borel, M M; Leclaire, A; Grandin, A; Raveau, B","Cs~3~Mo~4~P~4~O~22~: A mixed valent monophosphate isotypic with K~2~Mo~2~P~2~O/1~1~","Journal of Solid State Chemistry","1994","108","","336","339","10.1006/jssc.1994.1049","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001618","5.134","0.0005","11.707","0.002","12.063","0.002","90","","91.77","0.01","90","","724.7","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Caesium oxomolybdenum(V) diphosphate","","- Cs Mo O8 P2 -","- Cs Mo O8 P2 -","- Cs4 Mo4 O32 P8 -","4","1","","Guesdon, A; Borel, M M; Leclaire, A; Grandin, A; Raveau, B","A molybdenum (V) diphosphate closely related to the $-alpha- NaTiP~2~O~7~ structure: Cs(MoO)P~2~O~7~","Journal of Solid State Chemistry","1994","108","","46","50","10.1006/jssc.1994.1007","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001619","4.3822","0.0002","4.3822","0.0002","4.3822","0.0002","90","","90","","90","","84.2","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Bismuth barium oxide (1.5/0.5/2.75)","","- Ba0.5 Bi1.5 O2.75 -","- Ba0.5 Bi1.5 O2.7498 -","- Ba0.5 Bi1.5 O2.7498 -","1","0.0104167","","Michel; Pelloquin, D; Hervieu, M; Raveau, B","The anionic superconductor Bi~3~BaO~5.5~: A bcc structure closely related to the perovskite. Relationships with anti $-alpha-AgI","Journal of Solid State Chemistry","1994","109","","122","126","10.1006/jssc.1994.1081","","","","","","0.0339","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001620","8.599","0.002","6.392","0.001","10.602","0.002","90","","111.65","0.02","90","","541.6","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Potassium phyllo-molybdophosphate *","","- K Mo3 O14 P2 -","- K Mo3 O14 P2 -","- K2 Mo6 O28 P4 -","2","0.5","","Guesdon, A; Borel, M M; Leclaire, A; Grandin, A; Raveau, B","A mixed-valent molybdenum monophosphate with a layer structure: KMo~3~P~2~O~14~","Journal of Solid State Chemistry","1994","109","","145","151","10.1006/jssc.1994.1084","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001621","17.85199","0.002","6.298","0.001","12.181","0.002","90","","119.73","0.01","90","","1189.3","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Potassium titanium diphosphate (0.58/1/1)","","- K0.58 O7 P2 Ti -","- K0.54 O7 P2 Ti -","- K4.32 O56 P16 Ti8 -","8","1","","Leclaire, A; Chardon; Borel, M M; Raveau, B","A mixed valent titanium diphosphate with an intersecting tunnel structure K~0.~/5~8~TiP~2~O~7~","Journal of Solid State Chemistry","1994","109","","83","87","10.1006/jssc.1994.1075","","","","","","0.0522","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001622","13.815","0.001","15.884","0.002","12.675","0.002","90","","90","","90","","2781.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rubidium tecto-phosphatodiniobate","","- Nb2 O8 P Rb -","- Nb2 O8 P Rb -","- Nb32 O128 P16 Rb16 -","16","2","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","The phosphoniobate RbNb~2~PO~8~: An ordered sbstitution of PO~4~ tetrahedra for NbO~6~ octahedra in the HTB structure","Journal of Solid State Chemistry","1994","110","","256","263","10.1006/jssc.1994.1167","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001623","12.989","0.002","12.989","0.002","53.91199","0.006","90","","90","","120","","7877.1","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Trirubidium tecto-diphosphatopentaniobate","","- Nb5 O19 P2 Rb3 -","- Nb5 O19 P2 Rb3 -","- Nb90 O342 P36 Rb54 -","18","0.5","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","A phosphoniobate with an intersecting tunnel structure related to pyrochlore: Rb~3~Nb~5~P~2~O/1~9~","Journal of Solid State Chemistry","1994","111","","26","32","10.1006/jssc.1994.1194","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001624","12.993","0.001","12.993","0.001","12.993","0.001","90","","90","","90","","2193.5","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Cadmium iodide arsenide (4/3/2)","","- As2 Cd4 I3 -","- As2 Cd4 I3 -","- As16 Cd32 I24 -","8","0.333333","","Gallay, J; Allais, G; Deschanvres, A","Structure de Cd4 As2 I3","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2274","2276","10.1107/S0567740875007388","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001625","13.144","0.005","8.102","0.002","7.082","0.003","90","","90","","90","","754.2","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tricadmium arsenide trichloride","","- As Cd3 Cl3 -","- As Cd3 Cl3 -","- As4 Cd12 Cl12 -","4","0.5","","Rebbah, A; Yazbeck, J; Deschanvres, A","Structure de Cd3 As Cl3 et Donnees Cristallographiques de Cd3 P Cl3","Acta Crystallographica B (24,1968-38,1982)","1980","36","","1744","1746","10.1107/S0567740880007145","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001626","7.633","0.004","7.633","0.004","7.133","0.003","90","","90","","120","","359.9","","","","","","","","","","","","","3","P -3","-P 3","147","","Tricadmium phosphide trichloride","","- Cd3 Cl3 P -","- Cd3 Cl3 P -","- Cd6 Cl6 P2 -","2","0.333333","","Rebbah, A; Yazbeck, J; Deschanvres, A","Etude structurale des composes Cd3 Y X3 (Y=As, P, X=Cl, Br, I)","Revue de Chimie Minerale","1981","18","","43","53","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001627","6.575","0.002","5.304","0.001","27.07599","0.003","89.62","0.01","96.17","0.01","90.26","0.01","938.7","","","","","","","","","","","","","4","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","Sodium phosphate tungstate (1.7/4/14)","","- Na1.7 O50 P4 W14 -","- Na1.7 O50 P4 W14 -","- Na1.7 O50 P4 W14 -","1","","","Lamire, M; Labbe, P; Goreaud, M; Raveau, B","Na(x) P4 W14 O50: The sodium m=7 member of the monophosphate tungsten bronze series A(x)(P O2)4 (W O3)2m","Journal of Solid State Chemistry","1987","66","","64","72","10.1016/0022-4596(87)90221-0","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001628","6.376","0.002","22.17299","0.002","8.718","0.002","90","","126.1","0.2","90","","995.9","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Silver dimolybdo(V) diphosphate phosphate - ξ","","- Ag Mo2 O13 P3 -","- Ag Mo2 O13 P3 -","- Ag4 Mo8 O52 P12 -","4","1","","Hoareau, T.; Borel, M.-M.; Grandin, A.; Leclaire, A.; Raveau, B.","A new silver molybdenum(V) phosphate: ξ-Ag(MoO)~2~(P~2~O~7~)(PO~4~)","Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique, Physique, Chimie, Astronomie","1994","319","","47","52","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","200089","2020-10-21","18:00:00",""
"1001629","3.8048","","3.8048","","30.46799","","90","","90","","90","","441.1","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Thallium strontium iron oxide (0.97/4/2/9)","","- Fe2 O9 Sr4 Tl0.965 -","- Fe2 O9 Sr4 Tl0.9648 -","- Fe4 O18 Sr8 Tl1.9296 -","2","0.0625","","Daniel, P; Barbey, L; Groult, D; Nguyen, N; Van Tendeloo, G; Raveau, B","Mixed valent iron oxides with the 0201-1201 intergrowth structure: (Pb1- x Tlx) Sr4 Fe2 O9 (0<x<1)","European Journal of Solid State Inorganic Chemistry","1994","31","","235","244","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001630","16.67799","0.003","16.67799","0.003","12.717","0.003","90","","90","","120","","3063.4","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Caesium molybdenum phosphorus oxide hydrate (8.35/13/10/62/1)","","- Cs8.35 H2 Mo13 O63 P10 -","- Cs8.351 H2.3333 Mo13 O63 P10 -","- Cs16.702 H4.6666 Mo26 O126 P20 -","2","0.166667","","Hoareau, T; Leclaire, A; Borel, M - M; Grandin, A; Raveau, B","A zeolitic mixed valence molybdenum monophosphate with a tunnel structure: Cs8+x (Mo O4) Mo12 O18 (P O4)10 .(H2 O)","European Journal of Solid State Inorganic Chemistry","1994","31","","727","737","","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001631","3.8116","0.0002","3.8116","0.0002","12.1337","0.0006","90","","90","","90","","176.3","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Lead mercury strontium neodymium calcium copper oxide (0.7/0.3/2/0.2/0.8/2/7)","","- Ca0.77 Cu2 Hg0.3 Nd0.23 O7 Pb0.7 Sr2 -","- Ca0.77 Cu2 Hg0.3 Nd0.23 O7 Pb0.7 Sr2 -","- Ca0.77 Cu2 Hg0.3 Nd0.23 O7 Pb0.7 Sr2 -","1","0.0625","","Martin, C; Hervieu, M; Huve, M; Michel, C; Maignan, A; Van Tendeloo, G; Raveau, B","Lead-mercury-based superconductors. The 1212 cuprate Pb0.7 Hg0.3 Sr2+x Ca0.7 Nd0.3-x Cu2 O7-d and the new oxycarbonate Pb0.7 Hg0.3 Sr4 Cu2 (C O3) O7","Physica C (Amsterdam) (152,1988-)","1994","222","","19","26","10.1016/0921-4534(94)90109-0","","","","","","0.087","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001632","3.8242","0.0001","3.8242","0.0001","16.46809","0.0004","90","","90","","90","","240.8","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Lead mercury strontium copper carbonate oxide (0.7/0.3/4/2/1/7)","","- C Cu2 Hg0.3 O10 Pb0.7 Sr4 -","- C Cu2 Hg0.3 O10 Pb0.7 Sr4 -","- C Cu2 Hg0.3 O10 Pb0.7 Sr4 -","1","0.0625","","Martin, C; Hervieu, M; Huve, M; Michel, C; Maignan, A; Van Tendeloo, G; Raveau, B","Lead-mercury-based superconductors. The 1212 cuprate Pb0.7 Hg0.3 Sr2+x Ca0.7 Nd0.3-x Cu2 O7-d and the new oxycarbonate Pb0.7 Hg0.3 Sr4 Cu2 (C O3) O7","Physica C (Amsterdam) (152,1988-)","1994","222","","19","26","10.1016/0921-4534(94)90109-0","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001633","3.8265","0.0001","3.8265","0.0001","16.4742","0.0006","90","","90","","90","","241.2","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Mercury bismuth strontium copper carbonate oxide (0.5/0.5/4/2/1/6.86)","","- C0.955 Bi0.5 Cu2 Hg0.545 O9.72 Sr4 -","- C0.955 Bi0.5 Cu2 Hg0.545 O9.72 Sr4 -","- C0.955 Bi0.5 Cu2 Hg0.545 O9.72 Sr4 -","1","0.0625","","Pelloquin, D; Hervieu, M; Michel, C; Maignan, A; Raveau, B","A new superconducting oxycarbonate Bi0.5 Hg0.5 Sr4 Cu2 (C O3) O7-d","Physica C (Amsterdam) (152,1988-)","1994","227","","215","224","10.1016/0921-4534(94)90074-4","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001634","3.7922","0.0006","3.7922","0.0006","12.0661","0.0025","90","","90","","90","","173.5","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium bismuth calcium strontium copper oxide (0.78/0.33/0.89/2/2/7)","","- Bi0.33 Ca0.89 Cu2 O7 Sr2 Tl0.78 -","- Bi0.33 Ca0.89 Cu2 O7 Sr2 Tl0.78 -","- Bi0.33 Ca0.89 Cu2 O7 Sr2 Tl0.78 -","1","0.0625","","Ledesert, M; Maignan, A; Chardon, J; Martin, C; Labbe, Ph; Hervieu, M; Raveau, B","(Tl, Bi) Sr2 Ca Cu2 O7 ""1212"" superconducting single crystal. A structural and magnetic study","Physica C (Amsterdam) (152,1988-)","1994","232","","387","395","10.1016/0921-4534(94)90798-6","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001635","6.374","0.001","7.709","0.001","12.529","0.001","80.03","0.01","77.62","0.01","81.8","0.01","588.7","","","","","","","","","","","","","4","P -1","-P 1","2","","Lithium dimolybdo(V)molybdotriphosphate","","- Li Mo3 O16 P3 -","- Li Mo3 O16 P3 -","- Li2 Mo6 O32 P6 -","2","1","","Hoareau, T; Borel, M M; Leclaire, A; Provost, J; Raveau, B","Structure and antiferromagnetic properties of a mixed valent molybdeno monophosphate of lithium","Materials Research Bulletin","1995","30","4","523","529","10.1016/0025-5408(95)00023-2","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001636","3.8448","0.0001","3.8448","0.0001","16.31729","0.0007","90","","90","","90","","241.2","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Mercury molybdenum strontium copper carbonate oxide (0.5/0.5/4/2/1/6.21)","","- C Cu2 Hg0.52 Mo0.48 O9.21 Sr4 -","- C Cu2 Hg0.52 Mo0.48 O9.21 Sr4 -","- C Cu2 Hg0.52 Mo0.48 O9.21 Sr4 -","1","0.0625","","Pelloquin, D; Hervieu, M; Malo, S; Michel, C; Maignan, A; Raveau, B","Two transition-metal-substituted superconducting mercury-based oxycarbonates, Hg(1-x) Mx Sr4 Cu2 (C O3) O(6+d) (M=Cr and Mo)","Physica C (Amsterdam) (152,1988-)","1995","246","","1","10","10.1016/0921-4534(95)00131-X","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001637","3.8747","0.0001","3.8747","0.0001","16.15549","0.0006","90","","90","","90","","242.5","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Mercury chromium strontium copper carbonate oxide (0.46/0.54/4/2/1/6.88)","","- C Cr0.54 Cu2 Hg0.46 O9.88 Sr4 -","- C Cr0.54 Cu2 Hg0.46 O9.88 Sr4 -","- C Cr0.54 Cu2 Hg0.46 O9.88 Sr4 -","1","0.0625","","Pelloquin, D; Hervieu, M; Malo, S; Michel, C; Maignan, A; Raveau, B","Two transition-metal-substituted superconducting mercury-based oxycarbonates, Hg(1-x) Mx Sr4 Cu2 (C O3) O(6+d) (M=Cr and Mo)","Physica C (Amsterdam) (152,1988-)","1995","246","","1","10","10.1016/0921-4534(95)00131-X","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001638","12.191","0.001","5.555","0.001","27.00099","0.003","90","","93.31","0.01","90","","1825.5","","","","","","","","","","","","","4","A 1 2/m 1","-A 2y","12","","Bismuth Barium Copper Oxide","","- Ba11 Bi9 Cu4 O29 -","- Ba11 Bi9 Cu4 O29 -","- Ba22 Bi18 Cu8 O58 -","2","0.25","","Hervieu, M; Michel, C; Caldes, M T; Pham, A Q; Raveau, B","The Cuprate Bi~6~Ba~4~Cu~2~O~1~5: A Double Collapsed 2201-Type Structure","Journal of Solid State Chemistry","1993","107","","117","126","10.1006/jssc.1993.1329","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001639","3.9072","0.0001","3.9072","0.0001","17.21919","0.0006","90","","90","","90","","262.9","","","","","","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","Mercury barium praseodymium copper oxide (2/2/2/2/10)","","- Ba2 Cu2 Hg1.88 O10 Pr2 -","- Ba2 Cu2 Hg1.88 O10 Pr2 -","- Ba2 Cu2 Hg1.88 O10 Pr2 -","1","0.0625","","Huve, M; Martin, C; Maignan, A; Michel, C; Van Tendeloo, G; Hervieu, M; Raveau, B","A new cuprate with mercury bilayers: the ""2222"" oxide Hg2-x Mx Ba2 Pr2 Cu2 O10-d (M=Cu,Pr)","Journal of Solid State Chemistry","1995","114","","230","235","10.1006/jssc.1995.1033","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001640","3.8751","0.0001","3.8751","0.0001","7.679","0.0002","90","","90","","90","","115.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper iron(III) oxide","","- Ba Cu Fe O5 Y -","- Ba Cu Fe O5 Y -","- Ba Cu Fe O5 Y -","1","0.0625","","Caignaert, V; Mirebeau, I; Bouree, F; Nguyen, N; Ducouret, A; Greneche, J - M; Raveau, B","Crystal and magnetic structure of Y Ba Cu Fe O5","Journal of Solid State Chemistry","1995","114","","24","35","10.1006/jssc.1995.1004","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001641","16.989","0.003","16.989","0.003","11.866","0.003","90","","90","","120","","2966","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Nonacaesium tecto-trialumononamolybdo(V)undecaphosphate(V)","","- Al3 Cs9 Mo9 O59 P11 -","- Al3 Cs9 Mo9 O59 P11 -","- Al6 Cs18 Mo18 O118 P22 -","2","0.166667","","Guesdon, A; Borel, M M; Leclaire, A; Grandin, A; Raveau, B","An aluminophosphate of molybdenum(V) with a tunnel structure: Cs9 Mo9 Al3 P11 O59","Journal of Solid State Chemistry","1995","114","","451","458","10.1006/jssc.1995.1068","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001642","9.314","0.001","8.8679","0.0009","10.954","0.002","90","","90","","90","","904.8","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Dipotassium dimolybdenum tetraoxide diphosphate - $-beta","","- K2 Mo2 O11 P2 -","- K2 Mo2 O11 P2 -","- K8 Mo8 O44 P8 -","4","0.5","","Guesdon, A; Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A molybdenum(V) diphosphate with a tunnel structure: $-beta-K2 Mo2 O4 P2 O7","Journal of Solid State Chemistry","1995","114","","481","485","10.1006/jssc.1995.1072","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001643","16.78899","0.001","8.5","0.001","16.36099","0.001","90","","126.34","0.01","90","","1880.7","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Trisodium tetramolybdo(V)pentaphosphate(V)","","- Mo4 Na3 O24 P5 -","- Mo4 Na3 O24 P5 -","- Mo16 Na12 O96 P20 -","4","0.5","","Leclaire, A; Hoareau, T; Borel, M M; Grandin, A; Raveau, B","A sodium Mo(V) monophosphate with a tunnel structure: Na3 (Mo O)4 (P O4)5","Journal of Solid State Chemistry","1995","114","","543","549","10.1006/jssc.1995.1083","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001644","9.676","0.002","14.366","0.002","28.39099","0.005","90","","90","","90","","3946.5","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tripotassium tetramolybdo(V)pentaphosphate(V)","","- K3 Mo4 O24 P5 -","- K3 Mo4 O24 P5 -","- K24 Mo32 O192 P40 -","8","1","","Hoareau, T; Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A Mo(V) monophosphate with a tunnel structure: K3 (Mo O)4 (P O4)5","Journal of Solid State Chemistry","1995","114","","61","65","10.1006/jssc.1995.1009","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001645","3.8826","0.0001","3.8826","0.0001","35.26599","0.001","90","","90","","90","","531.6","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Trieuropium dibarium manganese(III) manganese(IV) dicopper oxide","","- Ba2 Cu2 Eu3 Mn2 O12 -","- Ba2 Cu2 Eu3 Mn2 O12 -","- Ba4 Cu4 Eu6 Mn4 O24 -","2","0.0625","","Hervieu, M; Michel, C; Genouel, R; Maignan, A; Raveau, B","The layered manganocuprate Eu3 Ba2 Mn2 Cu2 O12 : an intergrowth between the ""123"" and ""0201"" structures","Journal of Solid State Chemistry","1995","115","","1","6","10.1006/jssc.1995.1094","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001646","6.349","0.002","7.869","0.001","9.324","0.002","105.32","0.01","108.66","0.01","101.23","0.02","405.3","","","","","","","","","","","","","4","P -1","-P 1","2","","Trizinc tetravanadium(III) hexakis(phosphate(V))","","- O24 P6 V4 Zn3 -","- O24 P6 V4 Zn3 -","- O24 P6 V4 Zn3 -","1","0.5","","Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B","The original structure of Zn3 V4 (P O4)6 involving bioctahedral V2 O10 units and Zn O5 trigonal bipyramids","Journal of Solid State Chemistry","1995","115","","140","145","10.1006/jssc.1995.1112","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001647","10.7807","0.0004","10.7807","0.0004","3.8987","0.0003","90","","90","","90","","453.1","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Lanthanum strontium copper iron oxide (4.4/3.6/6/2/20)","","- Cu6 Fe2 La4.4 O20 Sr3.6 -","- Cu6 Fe2 La4.4 O20 Sr3.6 -","- Cu6 Fe2 La4.4 O20 Sr3.6 -","1","0.0625","","Genouel, R; Michel, C; Nguyen, N; Hervieu, M; Raveau, B","Ordered substitution of iron for copper in the tetragonal perovskite La6.4 Sr1.6 Cu8 O20","Journal of Solid State Chemistry","1995","115","","469","475","10.1006/jssc.1995.1161","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001648","3.8785","0.0002","3.8785","0.0002","7.5441","0.0004","90","","90","","90","","113.5","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Yttrium barium cobalt copper iron oxide (1/1/1/0.5/0.5/5)","","- Ba Co Cu0.5 Fe0.5 O5 Y -","- Ba Co Cu0.5 Fe0.5 O5 Y -","- Ba Co Cu0.5 Fe0.5 O5 Y -","1","0.0625","","Barbey, L; Nguyen, N; Ducouret, A; Caignaert, V; Greneche, J M; Raveau, B","Magnetic behaviour of the ""112"" type substituted cuprate Y Ba Co Cu1-x Fex O5","Journal of Solid State Chemistry","1995","115","","514","520","10.1006/jssc.1995.1167","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001649","11.546","0.001","8.548","0.001","8.779","0.001","90","","114.39","0.01","90","","789.1","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Silver divanadium(III) phosphate(V) diphosphate(V)","","- Ag O11 P3 V2 -","- Ag O11 P3 V2 -","- Ag4 O44 P12 V8 -","4","0.5","","Grandin, A; Leclaire, A; Borel, M M; Raveau, B","A V(III) phosphate built up from bioctahedral V2 O10 units: Ag V2 (P O4) P2 O7","Journal of Solid State Chemistry","1995","115","","521","524","10.1006/jssc.1995.1168","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001650","3.8642","0.0001","3.8642","0.0001","29.56799","0.001","90","","90","","90","","441.5","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Mercury thallium(III) strontium praseodymium copper oxide (0.3/0.7/2/2/2/9)","","- Cu2 Hg0.3 O9 Pr2 Sr2 Tl0.7 -","- Cu2 Hg0.3 O9 Pr2 Sr2 Tl0.7 -","- Cu4 Hg0.6 O18 Pr4 Sr4 Tl1.4 -","2","0.0625","","Hervieu, M; Van Tendeloo, G; Michel, C; Martin, C; Maignan, A; Raveau, B","Synthesis and characterization of mercury-based ""1222"" cuprates (Hg1-x Mx) (Sr,Ba)2 Pr2 Cu2 O9-d","Journal of Solid State Chemistry","1995","115","","525","531","10.1006/jssc.1995.1169","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001651","7.747","0.001","11.149","0.001","7.611","0.001","90","","90","","90","","657.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Trilanthanum catena-pentaoxoniobate dioxide","","- La3 Nb O7 -","- La3 Nb O7 -","- La12 Nb4 O28 -","4","0.5","","Kahn-Harari, A; Mazerolles, L; Michel, D; Robert, F","Structural description of La3 Nb O7","Journal of Solid State Chemistry","1995","116","","103","106","10.1006/jssc.1995.1189","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001652","3.7352","0.0002","7.5749","0.0003","17.9657","0.0007","90","","90","","90","","508.3","","","","","","","","","","","","","6","A m m m","-A 2 2","65","","Mercury cerium strontium lanthanum copper oxide (0.4/0.5/1.4/1.6/1.1/5)","","- Ce0.5 Cu1.1 Hg0.4 La0.6 O5 Sr1.4 -","- Ce0.5 Cu1.1 Hg0.4 La0.6 O5 Sr1.4 -","- Ce2 Cu4.4 Hg1.6 La2.4 O20 Sr5.6 -","4","0.25","","Maignan, A; Martin, C; Michel, C; Hervieu, M; Raveau, B","A new ""1201"" mercury-based cuprate with Hg Ce mixed layers: the oxide Hg0.4 Ce0.5 Cu0.1 Sr2-x Lax Cu O4+d","Journal of Solid State Chemistry","1995","116","","347","354","10.1006/jssc.1995.1225","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001653","8.211","0.001","5.2757","0.0006","7.816","0.002","90","","94.778","0.001","90","","337.4","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Barium phyllo-bis(phosphato)molybdate","","- Ba Mo O8 P2 -","- Ba Mo O8 P2 -","- Ba2 Mo2 O16 P4 -","2","0.25","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","A Mo(IV) monophosphate, Ba Mo (P O4)2, with the yavapaiite layer structure","Journal of Solid State Chemistry","1995","116","","364","368","10.1006/jssc.1995.1227","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001654","7.6799","0.0005","11.5549","0.0007","8.8795","0.0004","90","","90","","90","","788","","","","","","","","","","","","","6","P m a m","-P 2 2a","51","","Mercury bismuth(V) heptastrontium dicopper antimony(V) oxide","","- Bi Cu2 Hg O15 Sb Sr7 -","- Bi Cu2 Hg O15 Sb Sr7 -","- Bi2 Cu4 Hg2 O30 Sb2 Sr14 -","2","0.25","","Pelloquin, D; Hervieu, M; Michel, C; Caldes, M; Raveau, B","Double cationic ordering in the ""1201"" substituted type cuprate Hg Bi Sr7 Cu2 Sb O15","Journal of Solid State Chemistry","1995","116","","53","60","10.1006/jssc.1995.1181","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001655","10.047","0.002","8.655","0.001","11.597","0.002","90","","104.27","0.01","90","","977.3","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Caesium phyllo-bis(phosphato)trioxodimolybdate","","- Cs Mo2 O11 P2 -","- Cs Mo2 O11 P2 -","- Cs4 Mo8 O44 P8 -","4","1","","Hoareau, T; Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A mixed valent molybdenum monophosphate with a layer structure: Cs Mo2 O3 (P O4)2","Journal of Solid State Chemistry","1995","116","","87","91","10.1006/jssc.1995.1186","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001656","14.192","0.001","6.424","0.001","7.317","0.001","90","","90","","90","","667.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Calcium divanadium(III) oxide diphosphate","","- Ca O9 P2 V2 -","- Ca O9 P2 V2 -","- Ca4 O36 P8 V8 -","4","0.5","","Boudin, S; Grandin, A; Leclaire, A; Borel, M - M; Raveau, B","Ca V2 O (P O4)2, isotypic with the Cd phase","Acta Crystallographica C (39,1983-)","1995","51","","796","798","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001657","3.8271","0.0007","3.8271","0.0007","12.385","0.003","90","","90","","90","","181.4","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium(III) barium strontium calcium copper oxide (1.2/1/0.96/0.8/2/7)","","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","1","0.0625","","Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B","Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d","Acta Crystallographica B (39,1983-)","1995","51","","18","22","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001658","3.8356","0.0007","3.8356","0.0007","12.39","0.003","90","","90","","90","","182.3","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium(III) barium strontium calcium copper oxide (1.2/1/0.96/0.8/2/7)","","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","1","0.0625","","Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B","Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d","Acta Crystallographica B (39,1983-)","1995","51","","18","22","","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001659","3.8234","0.0009","3.8234","0.0009","12.384","0.004","90","","90","","90","","181","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium(III) barium strontium calcium copper oxide (1.2/1/0.96/0.8/2/7)","","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","1","0.0625","","Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B","Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d","Acta Crystallographica B (39,1983-)","1995","51","","18","22","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001660","8.0058","0.0004","8.0058","0.0004","8.0058","0.0004","90","","90","","90","","513.1","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Dilead magnesium tungstate - I","","- Mg O6 Pb2 W -","- Mg O6 Pb1.9992 W -","- Mg4 O24 Pb7.9968 W4 -","4","0.0208333","","Baldinozzi, G.; Sciau, Ph.; Pinot, M.; Grebille, D.","Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6","Acta Crystallographica B (39,1983-)","1995","51","5","668","673","10.1107/S0108768194014047","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","188422","2020-10-21","18:00:00",""
"1001661","7.944","0.0004","5.6866","0.0003","11.4059","0.0004","90","","90","","90","","515.3","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Dilead magnesium tungstate - II","","- Mg O6 Pb2 W -","- Mg O6 Pb2 W -","- Mg4 O24 Pb8 W4 -","4","0.5","","Baldinozzi, G; Sciau, Ph; Pinot, M; Grebille, D","Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6","Acta Crystallographica B (39,1983-)","1995","51","","668","673","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001662","7.9041","0.0003","5.7035","0.0002","11.4442","0.0004","90","","90","","90","","515.9","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Dilead magnesium tungstate - II","","- Mg O6 Pb2 W -","- Mg O6 Pb2 W -","- Mg4 O24 Pb8 W4 -","4","0.5","","Baldinozzi, G; Sciau, Ph; Pinot, M; Grebille, D","Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6","Acta Crystallographica B (39,1983-)","1995","51","","668","673","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001663","5.596","0.001","10.29","0.02","3.806","0.001","90","","90","","90","","219.2","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Neodymium copper oxide (1/1/2.5)","","- Cu Nd O2.5 -","- Cu Nd O2.5 -","- Cu4 Nd4 O10 -","4","0.5","","Chen, B - H; Walker, D; Suard, E; Scott, B A; Mercey, B; Hervieu, M; Raveau, B","High pressure synthesis of Nd Cu O3-d perovskites (0<d<0.5)","Inorganic Chemistry","1995","34","","2077","2083","10.1021/ic00112a020","","","","","","0.093","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001664","8.56","0.002","8.534","0.002","3.777","0.001","90","","90","","90.45","0.05","275.9","","","","","","","","","","","","","3","P 1 1 2/m","-P 2","10","","Neodymium copper oxide (1/1/2.6)","","- Cu Nd O2.6 -","- Cu Nd O2.6 -","- Cu5 Nd5 O13 -","5","1.25","","Chen, B - H; Walker, D; Suard, E; Scott, B A; Mercey, B; Hervieu, M; Raveau, B","High pressure synthesis of Nd Cu O3-d perovskites (0<d<0.5)","Inorganic Chemistry","1995","34","","2077","2083","10.1021/ic00112a020","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001665","5.334","0.001","6.308","0.001","7.196","0.002","90","","90","","90","","242.1","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Neodymium copper oxide (1/1/2.9)","","- Cu Nd O2.93 -","- Cu Nd O2.931 -","- Cu4 Nd4 O11.724 -","4","0.5","","Chen, B - H; Walker, D; Suard, E; Scott, B A; Mercey, B; Hervieu, M; Raveau, B","High pressure synthesis of Nd Cu O3-d perovskites (0<d<0.5)","Inorganic Chemistry","1995","34","","2077","2083","10.1021/ic00112a020","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001666","3.7966","0.0003","3.7966","0.0003","12.092","0.001","90","","90","","90","","174.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium strontium calcium copper oxide (1.2/2/0.8/2/7)","","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","1","0.0625","","Martin, C; Maignan, A; Labbe, Ph; Chardon, J; Hejtmanek, J; Raveau, B","Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d","Chemistry of Materials (1,1989-","1995","7","","1414","1418","10.1021/cm00055a021","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001667","3.7808","0.0005","3.7808","0.0005","12.0855","0.0012","90","","90","","90","","172.8","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium strontium calcium copper oxide (1.2/2/0.8/2/7)","","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","1","0.0625","","Martin, C; Maignan, A; Labbe, Ph; Chardon, J; Hejtmanek, J; Raveau, B","Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d","Chemistry of Materials (1,1989-","1995","7","","1414","1418","10.1021/cm00055a021","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001668","10.41","0.003","20.5","0.006","19.48","0.005","90","","98.8","0.1","90","","4108.2","","","","","","","","","","","","","2","C 1 m 1","C -2y","8","","Carbon cyclo-octasulfur (76.6/6)","","- C76.039 S48 -","- C76.59 S48 -","- C153.18 S96 -","2","0.5","","Michel, R H; Kappes, M M; Adelmann, P; Roth, G","Preparation and Crystal Structure of C76(S8)6: A First Step towards the Crystallography of Higher Fullerenes","Angewandte Chemie (German Edition)","1994","106","","1742","1746","","","","","","","0.0634","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001669","4.848","0.001","6.892","0.001","8.077","0.002","92.65","0.01","93.26","0.01","106.23","0.01","258.2","","","","","","","","","","","","","4","P -1","-P 1","2","","Mercury divanadium(III) bis(diphosphate)","","- Hg O14 P4 V2 -","- Hg O14 P4 V2 -","- Hg O14 P4 V2 -","1","0.5","","Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B","Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead phases","Journal of Materials Chemistry","1994","4","12","1889","1892","10.1039/jm9940401889","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001670","4.804","0.001","7.113","0.001","7.898","0.002","89.78","0.01","92.62","0.01","106.1","0.02","259","","","","","","","","","","","","","4","P -1","-P 1","2","","Lead divanadium(III) bis(diphosphate)","","- O14 P4 Pb V2 -","- O14 P4 Pb V2 -","- O14 P4 Pb V2 -","1","0.5","","Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B","Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead phases","Journal of Materials Chemistry","1994","4","12","1889","1892","10.1039/jm9940401889","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001671","4.237","0.001","3.7675","0.0006","11.917","0.007","90","","90","","90","","190.2","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Neodymium copper oxide (2/1/3.5)","","- Cu Nd2 O3.5 -","- Cu Nd2 O3.5 -","- Cu2 Nd4 O7 -","2","0.125","","Choisnet, J; Mouron, M; Crespin, M; van Aken, P A; Mueller, W F","Perovskite-like intergrowth structure of the reduced cuprate Nd2 Cu O3.5: a combination of defect and excess oxygen non-stoichiometry phenomena","Journal of Materials Chemistry","1994","4","6","895","898","10.1039/jm9940400895","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001672","3.811","0.004","3.811","0.004","12.78","0.002","90","","90","","90","","185.6","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Thallium strontium iron oxide (1/3/2/8)","","- Fe2 O8 Sr3 Tl0.95 -","- Fe2 O8 Sr3 Tl0.95 -","- Fe2 O8 Sr3 Tl0.95 -","1","0.0625","","Daniel, P; Barbey, L; Nguyen, N; Ducouret, A; Groult, D; Raveau, B","New mixed-valent iron oxides with the 1212-type structure: Tl1-x Pbx Sr3 Fe2 O8","Journal of Physics and Chemistry of Solids","1994","55","9","795","802","10.1016/0022-3697(94)90002-7","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001673","3.818","0.0004","3.818","0.0004","12.834","0.002","90","","90","","90","","187.1","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium lead strontium iron oxide (0.5/0.5/3/2/8)","","- Fe2 O8 Pb0.485 Sr3 Tl0.485 -","- Fe2 O8 Pb0.4852 Sr3 Tl0.4852 -","- Fe2 O8 Pb0.4852 Sr3 Tl0.4852 -","1","0.0625","","Daniel, P; Barbey, L; Nguyen, N; Ducouret, A; Groult, D; Raveau, B","New mixed-valent iron oxides with the 1212-type structure: Tl1-x Pbx Sr3 Fe2 O8","Journal of Physics and Chemistry of Solids","1994","55","9","795","802","10.1016/0022-3697(94)90002-7","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001674","5.882","0.002","5.882","0.002","14.237","0.008","90","","90","","120","","426.6","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Barium antimony nickel iron(III) oxide (2/2/3/8/22)","","- Ba2 Fe8 Ni3 O22 Sb2 -","- Ba2 Fe8 Ni3.01 O22 Sb1.99 -","- Ba2 Fe8 Ni3.01 O22 Sb1.99 -","1","0.0833333","","Fuchs, G; Nguyen, N; Greneche, J M; Groult, D; Raveau, B","Antiferromagnetic 6L-Hexagonal ferrites, Ba2 Sb2 M3 Fe8 O22 (M = Zn, Mg, Ni, Co)","Journal of Solid State Chemistry","1986","61","","223","229","10.1016/0022-4596(86)90025-3","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001675","8.754","0.002","5.11","0.001","14.28","0.003","90","","101.8","0.02","90","","625.3","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Iron(III) trigermanate","","- Fe8 Ge3 O18 -","- Fe8 Ge3 O18 -","- Fe16 Ge6 O36 -","2","0.5","","Agafonov, V; Kahn, A; Michel, D; Perez y Jorba, M","Structural investigation of a new iron germanate Fe8 Ge3 O18","Journal of Solid State Chemistry","1986","62","","397","401","10.1016/0022-4596(86)90255-0","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001676","7.132","0.001","7.741","0.001","9.702","0.002","90","","110.62","0.02","90","","501.3","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dialuminium digermanate","","- Al2 Ge2 O7 -","- Al2 Ge2 O7 -","- Al8 Ge8 O28 -","4","0.5","","Agafonov, V; Kahn, A; Michel, D; Perez y Jorba, M","Crystal structure of a new digermanate: Al2 Ge2 O7","Journal of Solid State Chemistry","1986","62","","402","404","10.1016/0022-4596(86)90256-2","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001677","3.895","","3.895","","11.727","","90","","90","","90","","177.9","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Lanthanum barium copper oxide (1/2/3/6.7)","","- Ba2 Cu3 La O6.7 -","- Ba2 Cu3 La O6.65 -","- Ba2 Cu3 La O6.65 -","1","0.0625","","Hervieu, M; Nguyen, N; Michel, C; Deslandes, F; Raveau, B","A preliminary X-ray diffraction study of the tetragonal superconducting oxide La Ba2 Cu3 O7-d","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1987","305","","1063","1068","","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001678","18.31819","0.0013","3.7828","0.0004","14.028","0.0016","90","","115.211","0.0006","90","","879.5","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","Tungsten oxide (18/49)","","- O49 W18 -","- O49 W18 -","- O49 W18 -","1","0.25","","Lamire, M; Labbe, P; Goreaud, M; Raveau, B","Refinement et nouvelle analyse de la structure de W18 O49","Revue de Chimie Minerale","1987","24","","369","381","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001679","3.911","0.002","3.911","0.002","17.85699","0.005","90","","90","","120","","236.5","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Disodium diuranate(VI)","","- Na O3.5 U -","- Na O3.48 U0.9996 -","- Na3 O10.44 U2.9988 -","3","0.0833333","","Gasperin, M","Na2 U2 O7: Synthese et structure d'un monocristal","Journal of the Less-Common Metals","1986","119","","83","90","10.1016/0022-5088(86)90198-0","","","","","","0.082","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001680","5.57","","5.57","","22.00999","","90","","90","","120","","591.4","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Lanthanum nickel aluminium oxide (1/1/11/19)","","- Al11 La Ni O19 -","- Al11.01 La Ni0.99 O19 -","- Al22.02 La2 Ni1.98 O38 -","2","0.0833333","","Laville, F; Perrin, M; Lejus, A M; Gasperin, M; Moncorge, R; Vivien, D","Synthesis, crystal growth, structural determination, and optical absorption spectroscopy of the magnetoplumbite type compound La Ni Al11 O19","Journal of Solid State Chemistry","1986","65","","301","308","10.1016/0022-4596(86)90102-7","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001681","13.07","0.01","5.281","0.004","13.24","0.01","90","","120.4","","90","","788.2","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tantalum phosphorus pentoxide - $-beta","","- O5 P Ta -","- O5 P Ta -","- O40 P8 Ta8 -","8","2","","Chahboun, H; Groult, D; Hervieu, M; Raveau, B","$-beta Nb P O5 and $-beta Ta P O5: Bronzoids, second members of the monophosphate tungsten bronze series (P O2)4 (W O3)2M","Journal of Solid State Chemistry","1986","65","","331","342","10.1016/0022-4596(86)90105-2","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001682","12.169","0.003","3.005","0.001","9.414","0.002","90","","125.06","0.02","90","","281.8","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Tetragallium germanate - $-alpha","","- Ga4 Ge O8 -","- Ga4 Ge O8 -","- Ga8 Ge2 O16 -","2","0.25","","Kahn, A; Agafonov, V; Michel, D; Perez Y Jorba, M","New gallium germanates with tunnel structures $-alpha Ga4 Ge O8 and Ga4 Ge3 O12","Journal of Solid State Chemistry","1986","65","","377","382","10.1016/0022-4596(86)90111-8","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001683","14.4671","0.0011","14.4671","0.0011","7.4605","0.0002","90","","90","","120","","1352.3","","","","","","","","","","","","","4","P 63","P 6c","173","","Trivanadium(III) silicopentaphosphate","","- O19 P5 Si V3 -","- O19 P5 Si V3 -","- O76 P20 Si4 V12 -","4","0.666667","","Leclaire, A; Chahboun, H; Groult, D; Raveau, B","V3 P5 Si O19, a vanadosilicophospahte built up from V2 O9 octahedra clusters","Journal of Solid State Chemistry","1986","65","","168","177","10.1016/0022-4596(86)90051-4","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001684","4.862","0.001","4.862","0.001","10.497","0.002","90","","90","","90","","248.1","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Hafnium germanate","","- Ge Hf O4 -","- Ge Hf O4 -","- Ge4 Hf4 O16 -","4","0.25","","Ennaciri, A; Kahn, A; Michel, D","Crystal structures of Hf Ge O4 and Th Ge O4 germanates","Journal of the Less-Common Metals","1986","124","","105","109","10.1016/0022-5088(86)90481-9","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001685","5.145","0.001","5.145","0.001","10.531","0.002","90","","90","","90","","278.8","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Thorium germanate","","- Ge O4 Th -","- Ge O4 Th -","- Ge4 O16 Th4 -","4","0.25","","Ennaciri, A; Kahn, A; Michel, D","Crystal structures of Hf Ge O4 and Th Ge O4 germanates","Journal of the Less-Common Metals","1986","124","","105","109","10.1016/0022-5088(86)90481-9","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001686","7.23","0.001","7.23","0.001","6.539","0.001","90","","90","","90","","341.8","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Thorium germanate","","- Ge O4 Th -","- Ge O4 Th -","- Ge4 O16 Th4 -","4","0.125","","Ennaciri, A; Kahn, A; Michel, D","Crystal structures of Hf Ge O4 and Th Ge O4 germanates","Journal of the Less-Common Metals","1986","124","","105","109","10.1016/0022-5088(86)90481-9","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"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",""
"1001688","8.6475","0.0001","8.6475","0.0001","3.8594","0.0001","90","","90","","90","","288.6","","","","","","","","","","","","","4","P 4/m","-P 4","83","","Barium lanthanum copper oxide (1/4/5/13.16)","","- Ba Cu5 La4 O13.16 -","- Ba Cu5 La4 O13.12 -","- Ba Cu5 La4 O13.12 -","1","0.125","","Michel, C; Er Rakho, L; Hervieu, M; Pannetier, J; Raveau, B","Ba La4 Cu5 O13+d, an oxygen-deficient perovskite built pu from corner- sharing Cu O6 octahedra and Cu O5 pyramids","Journal of Solid State Chemistry","1987","68","","143","152","10.1016/0022-4596(87)90297-0","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001689","9.5219","0.0003","9.5219","0.0003","9.5219","0.0003","90","","90","","90","","863.3","","","","","","","","","","","","","5","I a -3","-I 2b 2c 3","206","","Copper titanium iron(III) antimony oxide (3/0.96/0.98/1/9.12)","","- Cu3 Fe0.98 O9.12 Sb Ti0.96 -","- Cu3 Fe0.98 O9.12 Sb Ti0.96 -","- Cu3 Fe0.98 O9.12 Sb Ti0.96 -","1","0.0208333","","Mouron, P; Choisnet, J","A new ordered solid solution with a bixbyite structure: The compounds Cu2+x Ti2-x Fe2-x Sbx O9 (0< x < 1.4)","Materials Research Bulletin","1987","22","","1355","1362","10.1016/0025-5408(87)90300-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001690","8.722","0.005","8.722","0.005","8.722","0.005","90","","90","","90","","663.5","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Potassium uranium oxide (9/6/22.5)","","- K9 O22.5 U6 -","- K9 O22.5 U6 -","- K9 O22.5 U6 -","1","0.0104167","","Saine, M-C; Gasperin, M; Jove, J; Cousson, A","Relation entre la structure cristalline d'un uranate de potassium K9 U6 O22.5, et les spectres Moessbauer (Np237) des phases apparentees de neptunium","Journal of the Less-Common Metals","1987","132","","141","148","10.1016/0022-5088(87)90182-2","","","","","","0.0916","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001691","5.3791","0.0006","5.3811","0.0009","24.58899","0.003","90","","89.93","0.01","90","","711.7","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Bismuth strontium copper oxide (1.9/1.8/1/5.5)","","- Bi1.916 Cu O5.482 Sr1.84 -","- Bi1.9158 Cu O5.482 Sr1.84 -","- Bi7.6632 Cu4 O21.928 Sr7.36 -","4","0.5","","Leligny, H; Durcok, S; Labbe, P; Ledesert, M; Raveau, B","X-ray investigation of the incommensurate modulated structure of Bi2.08 Sr1.84 Cu O6-d","Acta Crystallographica B (39,1983-)","1992","48","","407","418","","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001692","3.8505","0.0001","3.8505","0.0001","16.23999","0.001","90","","90","","90","","240.8","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Mercury vanadium strontium copper carbonate oxide (0.6/0.4/4/2/1/6.6)","","- C Cu2 Hg0.57 O9.6 Sr4 V0.43 -","- C Cu2 Hg0.57 O9.6 Sr4 V0.43 -","- C Cu2 Hg0.57 O9.6 Sr4 V0.43 -","1","0.0625","","Maignan, A; Pelloquin, D; Malo, S; Michel, C; Hervieu, M; Raveau, B","Stabilisation of three new oxycarbonates by V and Cr substitutions. The superconductors (Tl, M)1 Sr4 Cu2 (C O3) O7 (M= Cr, V) and (Hg, V)1 Sr4 Cu2 (C O3) O6+z","Physica C (Amsterdam) (152,1988-)","1995","249","","220","233","10.1016/0921-4534(95)00322-3","","","","","","0.104","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001693","5.414","0.002","5.414","0.002","18.52399","0.001","90","","90","","90","","543","","","","","","","","","","","","","5","C m 2 a","C -2a -2a","39","","Bismuth strontium calcium iron oxide (1.8/3.8/0.2/2/10)","","- Bi1.77 Ca0.2 Fe2 O10 Sr3.8 -","- Bi1.77 Ca0.2 Fe2 O10 Sr3.8 -","- Bi3.54 Ca0.4 Fe4 O20 Sr7.6 -","2","","","Hervieu, M; Pelloquin, D; Michel, C; Caldes, M T; Raveau, B","The ferrites Bi(n+1) Sr2(n+2) Ba(n-1) Fe(n+1) O6(n+4): a series of intergrowths of the 2201 and 0201 structures","Journal of Solid State Chemistry","1995","118","","227","240","10.1006/jssc.1995.1338","","","","","","0.096","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001694","3.837","0.001","3.837","0.001","61.15999","0.01","90","","90","","90","","900.4","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Bismuth barium strontium iron oxide (3/1/6/3/16)","","- Ba Bi3 Fe3 O16 Sr6 -","- Ba Bi3 Fe3 O16 Sr6 -","- Ba2 Bi6 Fe6 O32 Sr12 -","2","0.0625","","Hervieu, M; Pelloquin, D; Michel, C; Caldes, M T; Raveau, B","The ferrites Bi(n+1) Sr2(n+2) Ba(n-1) Fe(n+1) O6(n+4): a series of intergrowths of the 2201 and 0201 structures","Journal of Solid State Chemistry","1995","118","","227","240","10.1006/jssc.1995.1338","","","","","","0.111","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001695","21.381","0.001","21.381","0.001","21.381","0.001","90","","90","","90","","9774.3","","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","Hexapotassium 40-oxotrimolybdononatungstophosphate 13-hydrate","","- H26 K6 Mo3 O53 P W9 -","- H18.5415 K6 Mo3 O49.0834 P W9 -","- H148.332 K48 Mo24 O392.667 P8 W72 -","8","0.0416667","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","A mixed valent Keggin polyoxometallate involving molybdenum and tungsten","Materials Research Bulletin","1995","30","9","1075","1080","10.1016/0025-5408(95)00103-4","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001696","3.8728","0.0006","3.7242","0.0006","12.767","0.002","90","","90","","90","","184.1","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Lanthanum strontium nickel oxide (1.6/0.4/1/3.50)","","- La1.6 Ni O3.5 Sr0.4 -","- La1.6 Ni O3.5 Sr0.4 -","- La3.2 Ni2 O7 Sr0.8 -","2","0.125","","Crespin, M; Bassat, J M; Odier, P; Mouron, P; Choisnet, J","Synthesis and crystallographic characterization of the mixed-valence reduced nickelate La1.6 Sr0.4 (Ni(+I), Ni(+II)) O3.47","Journal of Solid State Chemistry","1990","84","","165","170","10.1016/0022-4596(90)90195-4","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001697","3.7547","0.0001","11.4882","0.0004","20.0976","0.0007","90","","90","","90","","866.9","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Hexastrontium trineodymium pentacopper copper(III) oxide","","- Cu6 Nd3 O17 Sr6 -","- Cu6 Nd3 O17 Sr6 -","- Cu12 Nd6 O34 Sr12 -","2","0.125","","Caignaert, V; Retoux, R; Hervieu, M; Michel, C; Raveau, B","Sr6 Nd3 Cu6 O17: an intergrowth of the ""123""-phase and rock salt-type structure","Journal of Solid State Chemistry","1991","91","","41","46","10.1016/0022-4596(91)90055-M","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001698","19.80499","0.001","14.3859","0.0007","5.396","0.0004","90","","90","","90","","1537.4","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Sodium niobium phosphorus oxide (2.7/6/4/26)","","- Na2.667 Nb6 O26 P4 -","- Na2.66667 Nb6 O26 P4 -","- Na8 Nb18 O78 P12 -","3","0.75","","Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Na2+x Nb6 P4 O26 : a novel niobium phosphate bronze isotypic of the m=3 member of the MPTBp family","Journal of Solid State Chemistry","1991","95","","245","252","10.1016/0022-4596(91)90101-M","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001699","6.635","0.001","5.352","0.001","17.967","0.005","90","","90.33","","90","","638","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Tetrasodium tectooctaniobotetraphosphate(V)","","- Na4 Nb8 O32 P4 -","- Na4 Nb8 O32 P4 -","- Na4 Nb8 O32 P4 -","1","0.5","","Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Phosphate niobium bronzes and bronzoids with the MPTBP structure: Na4 Nb8 P4 O32 and Na4-x Ax Nb7 M P4 O32 fourth members of the series Ax (P O2)4 (Nb O3)2m","Materials Research Bulletin","1991","26","","1051","1057","10.1016/0025-5408(91)90088-4","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001700","5.571","0.001","5.583","0.001","31.10399","0.004","90","","90","","90","","967.4","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","Bismuth barium lanthanum copper oxide (2/2.3/0.7/2/8)","","- Ba2.3 Bi2 Cu2 La0.7 O8 -","- Ba2.3 Bi2 Cu2 La0.7 O8 -","- Ba9.2 Bi8 Cu8 La2.8 O32 -","4","0.125","","Pham, A Q; Hervieu, H; Michel, C; Raveau, B","A new member of the 2212-type family: the oxide Bi2 Ba2+x La1-x Cu2 O8+d","Physica C (Amsterdam) (152,1988-)","1992","199","","321","327","10.1016/0921-4534(92)90417-B","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001701","10.748","0.0003","10.748","0.0003","3.8976","0.0002","90","","90","","90","","450.2","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Lanthanum strontium copper iron oxide (4.4/3.6/6/2/20)","","- Cu6 Fe2 La4.4 O20 Sr3.6 -","- Cu6 Fe2 La4.4 O20 Sr3.6 -","- Cu6 Fe2 La4.4 O20 Sr3.6 -","1","0.0625","","Genouel, R; Michel, C; Raveau, B","Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20","Chemistry of Materials (1,1989-","1995","7","","2181","2184","10.1021/cm00059a028","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001702","10.787","0.0003","10.787","0.0003","3.8915","0.0001","90","","90","","90","","452.8","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Lanthanum strontium copper iron oxide (5.2/2.8/6.8/1.2/20)","","- Cu6.8 Fe1.2 La5.2 O20 Sr2.8 -","- Cu6.8 Fe1.2 La5.2 O20 Sr2.8 -","- Cu6.8 Fe1.2 La5.2 O20 Sr2.8 -","1","0.0625","","Genouel, R; Michel, C; Raveau, B","Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20","Chemistry of Materials (1,1989-","1995","7","","2181","2184","10.1021/cm00059a028","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001703","10.8088","0.0005","10.8088","0.0005","3.8992","0.0002","90","","90","","90","","455.5","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Lanthanum strontium copper iron oxide (6.4/1.6/6.8/1.2/20)","","- Cu6.8 Fe1.2 La6.4 O20 Sr1.6 -","- Cu6.8 Fe1.2 La6.4 O20 Sr1.6 -","- Cu6.8 Fe1.2 La6.4 O20 Sr1.6 -","1","0.0625","","Genouel, R; Michel, C; Raveau, B","Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20","Chemistry of Materials (1,1989-","1995","7","","2181","2184","10.1021/cm00059a028","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001704","5.4364","0.0003","5.4462","0.0003","7.6755","0.0004","90","","90","","90","","227.3","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","Praseodymium calcium strontium manganese oxide (0.7/0.2/0.1/1/3)","","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.8 Mn4 O12 Pr2.8 Sr0.4 -","4","0.5","","Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B","Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)","1995","321","","515","520","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001705","5.4363","0.0003","5.4462","0.0003","7.6768","0.0004","90","","90","","90","","227.3","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","Praseodymium calcium strontium manganese oxide (0.7/0.2/0.1/1/3)","","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.8 Mn4 O12 Pr2.8 Sr0.4 -","4","0.5","","Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B","Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)","1995","321","","515","520","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001706","5.4369","0.0003","5.4467","0.0003","7.6799","0.0004","90","","90","","90","","227.4","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","Praseodymium calcium strontium manganese oxide (0.7/0.2/0.1/1/3)","","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.8 Mn4 O12 Pr2.8 Sr0.4 -","4","0.5","","Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B","Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)","1995","321","","515","520","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001707","5.439","0.0004","5.4521","0.0004","7.6839","0.0005","90","","90","","90","","227.9","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","Praseodymium calcium strontium manganese oxide (0.7/0.2/0.1/1/3)","","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.8 Mn4 O12 Pr2.8 Sr0.4 -","4","0.5","","Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B","Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)","1995","321","","515","520","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001708","5.4356","0.0003","5.4549","0.0003","7.6936","0.0005","90","","90","","90","","228.1","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","Praseodymium calcium strontium manganese oxide (0.7/0.2/0.1/1/3)","","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.8 Mn4 O12 Pr2.8 Sr0.4 -","4","0.5","","Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B","Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)","1995","321","","515","520","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001709","5.488","0.001","5.475","0.001","31.50899","0.005","90","","90","","90","","946.7","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Bismuth strontium iron oxide (2/2.6/2/11)","","- Bi2 Fe2 O11 Sr2.591 -","- Bi2 Fe2 O11 Sr2.591 -","- Bi8 Fe8 O44 Sr10.364 -","4","0.125","","Perez, O; Leligny, H; Grebille, D; Labbe, Ph; Groult, D; Raveau, B","X-ray investigation of the incommensurate modulated structure of Bi2+x Sr3-x Fe2 O9+d","Journal of Physics: Condensed Matter","1995","7","","10003","10014","10.1088/0953-8984/7/50/030","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001710","5.4604","0.0003","5.5227","0.0003","12.2112","0.0006","90","","90","","90","","368.2","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Dilead distrontium copper(I) iron(III) oxide","","- Cu Fe O6 Pb2 Sr2 -","- Cu Fe O6 Pb2 Sr2 -","- Cu2 Fe2 O12 Pb4 Sr4 -","2","0.125","","Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B","An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6","Journal of Materials Chemistry","1995","5","8","1163","1170","10.1039/jm9950501163","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001711","5.4606","0.0003","5.5228","0.0003","12.2112","0.0006","90","","90","","90","","368.3","","","","","","","","","","","","","5","P 2 a n","P -2ab 2","30","","Dilead distrontium copper(I) iron(III) oxide","","- Cu Fe O6 Pb2 Sr2 -","- Cu Fe O6 Pb2 Sr2 -","- Cu2 Fe2 O12 Pb4 Sr4 -","2","0.5","","Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B","An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6","Journal of Materials Chemistry","1995","5","8","1163","1170","10.1039/jm9950501163","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001712","5.4604","0.0003","5.5227","0.0003","12.211","0.0006","90","","90","","90","","368.2","","","","","","","","","","","","","5","P 21 a m","P -2 2a","26","","Dilead distrontium copper(I) iron(III) oxide","","- Cu Fe O6 Pb2 Sr2 -","- Cu Fe O6 Pb2 Sr2 -","- Cu2 Fe2 O12 Pb4 Sr4 -","2","0.5","","Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B","An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6","Journal of Materials Chemistry","1995","5","8","1163","1170","10.1039/jm9950501163","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001713","16.04599","0.004","11.951","0.002","9.937","0.002","90","","104.62","0.02","90","","1843.9","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Lithium tecto-molybdo(V)diphosphate(V)","","- Li Mo O8 P2 -","- Li Mo O8 P2 -","- Li12 Mo12 O96 P24 -","12","3","","Ledain, S; Borel, M M; Leclaire, A; Provost, J; Raveau, B","A molybdenum V diphosphate involving Li O4 tetrahedra: Li Mo O P2 O7","Journal of Solid State Chemistry","1995","120","","260","267","10.1006/jssc.1995.1407","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001714","8.7949","0.0002","8.7949","0.0002","3.7848","0.0001","90","","90","","90","","292.8","","","","","","","","","","","","","4","P 4/m","-P 4","83","","Pentastrontium tetramanganese(III) carbonate decaoxide","","- C Mn4 O13 Sr5 -","- C Mn4 O13 Sr5 -","- C Mn4 O13 Sr5 -","1","0.125","","Caignaert, V; Domenges, B; Raveau, B","Synthesis and structure of a new oxycarbonate, Sr5 Mn4 C O3 O10, closely related to the perovskite structure","Journal of Solid State Chemistry","1995","120","","279","289","10.1006/jssc.1995.1410","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001715","7.2","0.001","6.369","0.001","9.123","0.001","90","","106.29","0.01","90","","401.6","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Sodium molybdenum tungsten oxide phosphate (0.75/1.17/0.83/3/2)","","- Mo1.17 Na0.75 O11 P2 W0.83 -","- Mo1.17 Na0.75 O11 P2 W0.83 -","- Mo2.34 Na1.5 O22 P4 W1.66 -","2","0.5","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","A mixed-valent molybdenotungsten monophosphate with a tunnel structure : Nax (Mo, W)2 O3 (P O4)2","Journal of Solid State Chemistry","1995","120","","353","357","10.1006/jssc.1995.1419","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001716","3.7511","0.0001","3.7511","0.0001","8.939","0.001","90","","90","","90","","125.8","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium molybdenum strontium copper oxide (0.8/0.2/2/1/5)","","- Cu Mo0.2 O5 Sr2 Tl0.8 -","- Cu Mo0.2 O5 Sr2 Tl0.8 -","- Cu Mo0.2 O5 Sr2 Tl0.8 -","1","0.0625","","Letouze, F; Martin, C; Maignan, A; Michel, C; Hervieu, M; Raveau, B","Stabilization of new superconducting thallium cuprates and oxycarbonates by molybdenum","Physica C (Amsterdam) (152,1988-)","1995","254","","33","43","10.1016/0921-4534(95)00561-7","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001717","3.8251","0.0002","3.8251","0.0002","16.42899","0.001","90","","90","","90","","240.4","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium molybdenum strontium copper carbonate oxide (0.8/0.2/4/2/1/7)","","- C Cu2 Mo0.2 O10 Sr4 Tl0.8 -","- C Cu2 Mo0.2 O10 Sr4 Tl0.8 -","- C Cu2 Mo0.2 O10 Sr4 Tl0.8 -","1","0.0625","","Letouze, F; Martin, C; Maignan, A; Michel, C; Hervieu, M; Raveau, B","Stabilization of new superconducting thallium cuprates and oxycarbonates by molybdenum","Physica C (Amsterdam) (152,1988-)","1995","254","","33","43","10.1016/0921-4534(95)00561-7","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001718","5.663","0.001","5.663","0.001","20.95499","0.003","90","","90","","120","","582","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Barium manganate(IV)","","- Ba Mn O3 -","- Ba Mn O3 -","- Ba9 Mn9 O27 -","9","0.25","","Boullay, P; Hervieu, M; Labbe, P; Raveau, B","Single crystal and HREM study of the ""Bi-Sr"" stabilized Ba Mn O3 9R polytype","Materials Research Bulletin","1997","32","","35","42","10.1016/S0025-5408(96)00169-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001719","4.95","","25.18999","","11.66","","90","","97.76","","90","","1440.6","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Thallium strontium cobalt oxide (0.41/1/1/3.11)","","- Co O3.111 Sr0.9999 Tl0.41 -","- Co O3.11111 Sr Tl0.41 -","- Co18 O56 Sr18 Tl7.38 -","18","4.5","","Boullay, P; Domenges, B; Hervieu, M; Groult, D; Raveau, B","Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2","Chemistry of Materials (1,1989-","1996","8","","1482","1489","10.1021/cm9601446","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001720","8.981","","8.981","","7.84","","90","","90","","120","","547.6","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Barium niobate silicate *","Belkovite","- Ba3 Nb6 O26 Si4 -","- Ba3 Nb6 O26 Si4 -","- Ba3 Nb6 O26 Si4 -","1","0.0833333","","Choisnet, J.; Nguyen, N.; Groult, D.; Raveau, B.","De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) Locality: synthetic","Materials Research Bulletin","1976","11","","887","894","10.1016/0025-5408(76)90160-4","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001721","10.22","","10.22","","14.176","","90","","90","","120","","1282.3","","","","","","","","","","","","synthetic","5","P 6/m c c","-P 6 2c","192","","Dipotassium trimagnesium diiron closo-30-oxododecasilicate","Chayesite","- Fe2 K2 Mg3 O30 Si12 -","- Fe1.9999 K2 Mg3.0001 O30 Si12 -","- Fe3.9998 K4 Mg6.0002 O60 Si24 -","2","0.0833333","","Nguyen, N; Choisnet, J; Raveau, B","Silicates synthetiques a structure milarite","Journal of Solid State Chemistry","1980","34","","1","9","10.1016/0022-4596(80)90395-3","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001722","10.934","","7.572","","5.446","","90","","90","","90","","450.9","","","","","","","","","","","","synthetic","4","P n m a","-P 2ac 2n","62","","Lanthanum niobium titanium oxide","Aeschynite (La)","- La Nb O6 Ti -","- La Nb O6 Ti -","- La4 Nb4 O24 Ti4 -","4","0.5","","Fauquier, D; Gasperin, M","Synthese de monocristaux et etude structurale de La Nb Ti O6","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1970","93","","258","259","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001723","10.589","0.005","10.589","0.005","10.589","0.005","90","","90","","90","","1187.3","","","","","","","","","","","","synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","Barium hydrogen tantalum oxide hydrate (0.4/1.2/2/6/1)","Bariomicrolite","- Ba0.4 H3.2 O7 Ta2 -","- Ba0.4 H9.4 O7 Ta2 -","- Ba3.2 H75.2 O56 Ta16 -","8","0.0416667","","Groult, D; Michel, C; Raveau, B","Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions","Journal of Inorganic and Nuclear Chemistry","1975","37","","2203","2205","10.1016/0022-1902(75)80857-8","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001724","17.90999","0.002","7.48","0.002","17.06059","0.0009","90","","114.739","0.006","90","","2075.8","","","","","","","","","","","","","4","A 1 2/m 1","-A 2y","12","","Barium diphosphate 32-tungstate","","- Ba2 O112 P8 W32 -","- Ba2 O112 P8 W32 -","- Ba2 O112 P8 W32 -","1","0.125","","Lamire, M; Labbe, P; Goreaud, M; Raveau, B","Ba2 P8 W32 O112: Structural study in comparison with the K and Rb diphosphate tungsten bronzes with hexagonal tunnels","Journal of Solid State Chemistry","1987","71","","342","348","10.1016/0022-4596(87)90241-6","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001725","3.778","0.001","15.244","0.001","17.67699","0.001","90","","90","","90","","1018.1","","","","","","","","","","","","","5","A m m 2","A 2 -2","38","","Thallium chromate strontium coppper oxide (3/1/8/4/16)","","- Cr Cu4 O20 Sr8 Tl3 -","- Cr Cu4 O20 Sr8 Tl3 -","- Cr2 Cu8 O40 Sr16 Tl6 -","2","0.25","","Martin, C; Letouze, F; Maignan, A; Seshadri, R; Michel, C; Hervieu, M; Raveau, B","The superconducting copper oxychromate Tl3 (Cr O4) Sr8 Cu4 O16 : long- range ordering between thallium and chromium","Chemistry of Materials (1,1989-","1996","8","","865","873","10.1021/cm950473i","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001726","10.159","0.005","10.103","0.003","10.003","0.002","90","","99.48","0.03","90","","1012.7","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium caesium molybdenum oxide phosphate (0.4/1.5/2/3/2)","","- Cs1.5 K0.425 Mo2 O11 P2 -","- Cs1.5 K0.425 Mo2 O11 P2 -","- Cs6 K1.7 Mo8 O44 P8 -","4","1","","Guesdon, A.; Leclaire, A.; Borel, M. M.; Raveau, B.","Highly ordered distribution of the interpolated univalent cations in monophosphates with the α-K~2~Mo~2~O~3~(PO~4~)~2~ structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","385","396","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","200144","2020-10-21","18:00:00",""
"1001727","10.121","0.001","10.154","0.002","9.82","0.001","90","","100.59","0.01","90","","992","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium caesium dimolybdenum trioxide bis(phosphate(V))","","- Cs K Mo2 O11 P2 -","- Cs K Mo2 O11 P2 -","- Cs4 K4 Mo8 O44 P8 -","4","1","","Guesdon, A.; Leclaire, A.; Borel, M. M.; Raveau, B.","Highly ordered distribution of the interpolated univalent cations in monophosphates with the α-K~2~Mo~2~O~3~(PO~4~)~2~ structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","385","396","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","200144","2020-10-21","18:00:00",""
"1001728","10.08","0.001","10.146","0.001","9.83","0.001","90","","100.25","0.01","90","","989.3","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium caesium molybdenum oxide phosphate (1.3/0.7/2/3/2)","","- Cs0.74 K1.26 Mo2 O11 P2 -","- Cs0.74 K1.26 Mo2 O11 P2 -","- Cs2.96 K5.04 Mo8 O44 P8 -","4","1","","Guesdon, A.; Leclaire, A.; Borel, M. M.; Raveau, B.","Highly ordered distribution of the interpolated univalent cations in monophosphates with the α-K~2~Mo~2~O~3~(PO~4~)~2~ structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","385","396","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","200144","2020-10-21","18:00:00",""
"1001729","9.961","0.001","10.134","0.001","9.884","0.001","90","","99.16","0.01","90","","985","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium rubidium molybdenum oxide phosphate (0.9/1.1/2/3/2)","","- K0.88 Mo2 O11 P2 Rb1.12 -","- K0.88 Mo2 O11 P2 Rb1.12 -","- K3.52 Mo8 O44 P8 Rb4.48 -","4","1","","Guesdon, A.; Leclaire, A.; Borel, M. M.; Raveau, B.","Highly ordered distribution of the interpolated univalent cations in monophosphates with the α-K~2~Mo~2~O~3~(PO~4~)~2~ structure","European Journal of Solid State and Inorganic Chemistry","1996","33","","385","396","","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","200144","2020-10-21","18:00:00",""
"1001730","6.4023","0.0006","7.6097","0.001","12.7395","0.0014","80.031","0.011","79.039","0.009","83.517","0.011","598.1","","","","","","","","","","","","","4","P -1","-P 1","2","","Sodium dimolybdo(V)molybdotriphosphate(V)","","- Mo3 Na O16 P3 -","- Mo3 Na O16 P3 -","- Mo6 Na2 O32 P6 -","2","1","","Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","A molybdenophosphate with a mixed valence of molybdenum, Mo(VI) - Mo(V): Na Mo3 P3 O16","Journal of Solid State Chemistry","1991","95","","168","175","10.1016/0022-4596(91)90386-V","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001731","8.6233","0.0006","8.6233","0.0006","5.6384","0.0007","90","","90","","90","","419.3","","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","Diammonium oxovanadium(IV) vanadophosphate(V)","","- H8 N2 O8 P V2 -","- H10 N2 O8 P1.02 V1.98 -","- H20 N4 O16 P2.04 V3.96 -","2","0.25","","Boudin, S; Grandin, A; Labbe, P; Raveau, B","(N H4)2 (V O) (V P) O7, a layered structure comprising tetrahedral VP O7 groups","Acta Crystallographica C (39,1983-)","1996","52","","2668","2670","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001732","10.6265","0.0008","10.6265","0.0008","6.4092","0.0009","90","","90","","90","","723.7","","","","","","","","","","","","","5","P -4 m 2","P -4 -2","115","","Potassium niobium tungsten phosphorus phosphate(V) oxide (3.73/8.41/0.12/0.47/4/18)","","- K3.73 Nb8.41 O34 P4.47 W0.12 -","- K3.73 Nb8.406 O34 P4.47 W0.124 -","- K3.73 Nb8.406 O34 P4.47 W0.124 -","1","0.125","","Leclaire, A; Borel, M-M; Mezaoui, D; Rebbah, H; Raveau, B","Introduction of tungsten in the niobium phosphate bronzes: the monophosphate K3.75 Nb8-x Wx O14 (P O4)4 (P0.5 Nb0.5 O4)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)","1996","323","","679","685","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001733","17.545","0.002","17.545","0.002","15.714","0.002","90","","90","","120","","4189.1","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Potassium molybdenum tungsten oxide phosphate(V) (6.6/2.3/3.7/15/4)","","- K6.595 Mo2.34 O31 P4 W3.66 -","- K6.595 Mo2.34 O31 P4 W3.66 -","- K39.57 Mo14.04 O186 P24 W21.96 -","6","0.333333","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","A molybdenotungsten monophosphate with an opened structure K6.6 Mo2.36 W3.64 O15 (P O4)4","Journal of Solid State Chemistry","1996","127","","1","8","10.1006/jssc.1996.0349","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001734","5.4599","0.0001","7.711","0.0001","5.466","0.0001","90","","90","","90","","230.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Neodymium strontium manganese oxide (0.7/0.3/1/3)","","- Mn Nd0.7 O3 Sr0.3 -","- Mn Nd0.7 O3 Sr0.3 -","- Mn4 Nd2.8 O12 Sr1.2 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001735","5.4708","0.0001","7.6708","0.0001","5.4254","0.0001","90","","90","","90","","227.7","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Neodymium strontium calcium manganese oxide (0.7/0.1/0.2/1/3)","","- Ca0.22 Mn Nd0.7 O3 Sr0.08 -","- Ca0.22 Mn Nd0.7 O3 Sr0.08 -","- Ca0.88 Mn4 Nd2.8 O12 Sr0.32 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001736","5.482","0.0001","7.6475","0.0001","5.4096","0.0001","90","","90","","90","","226.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Neodymium calcium manganese oxide (0.7/0.3/1/3)","","- Ca0.3 Mn Nd0.7 O3 -","- Ca0.3 Mn Nd0.7 O3 -","- Ca1.2 Mn4 Nd2.8 O12 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001737","5.4494","0.0001","7.6964","0.0001","5.4547","0.0001","90","","90","","90","","228.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Neodymium strontium manganese oxide (0.7/0.3/1/3)","","- Mn Nd0.7 O3 Sr0.3 -","- Mn Nd0.7 O3 Sr0.3 -","- Mn4 Nd2.8 O12 Sr1.2 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001738","5.4734","0.0001","7.6583","0.0001","5.4139","0.0001","90","","90","","90","","226.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Neodymium strontium calcium manganese oxide (0.7/0.1/0.2/1/3)","","- Ca0.22 Mn Nd0.7 O3 Sr0.08 -","- Ca0.22 Mn Nd0.7 O3 Sr0.08 -","- Ca0.88 Mn4 Nd2.8 O12 Sr0.32 -","4","0.5","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001739","5.4881","0.0001","7.6337","0.0001","5.3968","0.0001","90","","90.2","","90","","226.1","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Neodymium calcium manganese oxide (0.7/0.3/1/3)","","- Ca0.3 Mn Nd0.7 O3 -","- Ca0.3 Mn Nd0.7 O3 -","- Ca1.2 Mn4 Nd2.8 O12 -","4","1","","Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B","Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering","Journal of Solid State Chemistry","1996","127","","131","135","10.1006/jssc.1996.0368","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001740","3.8174","0.0002","3.8138","0.0002","30.33899","0.001","90","","90","","90","","441.7","","","","","","","","","","","","","5","I m m m","-I 2 2","71","","Mercury praseodymium strontium iron oxide (0.3/0.57/4/2/9)","","- Fe2 Hg0.3 O9 Pr0.57 Sr4 -","- Fe2 Hg0.3 O9 Pr0.57 Sr4 -","- Fe4 Hg0.6 O18 Pr1.14 Sr8 -","2","0.125","","Boullay, Ph; Domenges, B; Groult, D; Raveau, B","A mercury-based ferrite with a 0201-1201 structure: (Hg, Pr) Sr4 Fe2 O9","Journal of Solid State Chemistry","1996","124","","1","7","10.1006/jssc.1996.0199","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001741","6.2786","0.0007","9.1551","0.0005","14.8999","0.0012","90","","106.22","0.01","90","","822.4","","","","","","","","","","","","synthetic","4","P 1 21/c 1","-P 2ybc","14","","Calcium nitrate tetrahydrate - $-alpha","Nitrocalcite","- Ca H8 N2 O10 -","- Ca H8 N2 O10 -","- Ca4 H32 N8 O40 -","4","1","","Leclaire, A.; Monier, J. C.","Liaisons hydrogene dans les cristaux de Ca(NO3)2*4H2Oalpha Locality: synthetic","Acta Crystallographica, Section B","1977","33","","1861","1866","10.1107/S0567740877007213","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:07",""
"1001742","10.152","","10.152","","14.28","","90","","90","","120","","1274.6","","","","","","","","","","","","rich - synthetic","5","P 6/m c c","-P 6 2c","192","","Sodium potassium pentamagnesium dodecasilicate","Eifelite","- K Mg5 Na O30 Si12 -","- K Mg5 Na O30 Si12 -","- K2 Mg10 Na2 O60 Si24 -","2","0.0833333","","Nguyen, N; Choisnet, J; Raveau, B","Silicates synthetiques a structure milarite","Journal of Solid State Chemistry","1980","34","","1","9","10.1016/0022-4596(80)90395-3","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001743","6.268","0.006","9.116","0.009","14.83","0.01","90","","106.5","0.33","90","","812.5","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Calcium nitrate tetrahydrate","Nitrocalcite","- Ca H8 N2 O10 -","- Ca H8 N2 O10 -","- Ca4 H32 N8 O40 -","4","1","","Leclaire, A; Monier, J C","Structure cristalline du nitrate de calcium tetrahydrate","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1970","271","","1555","1557","","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1001744","7.629","0.002","7.629","0.002","7.629","0.002","90","","90","","90","","444","","","","","","","","","","","","synthetic from solution","4","P n -3 :2","-P 2ab 2bc 3","201","","Iron(III) tin(IV) oxide pentahydroxide","Jeanbandyite oxidized","- Fe H5 O6 Sn -","- Fe H0.83 O6 Sn -","- Fe4 H3.32 O24 Sn4 -","4","0.166667","","Morgenstern-Badarau, I; Michel, A","Sur l'existence d'un oxyhydroxyde double de fer(III) et d'etain(IV)","Journal of Inorganic and Nuclear Chemistry","1976","38","","1400","1402","10.1016/0022-1902(76)80168-6","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001745","8.771","0.014","10.16","0.02","3.784","0.003","90","","90","","90","","337.2","","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Sodium triniobate","","- Na Nb3 O8 -","- Na Nb3 O8 -","- Na2 Nb6 O16 -","2","0.25","","Nedjar, R; Borel, M M; Leclaire, A; Raveau, B","The sodium niobate Na Nb3 O8: A novel lamellar oxide synthesized by soft chemistry","Journal of Solid State Chemistry","1987","71","","182","188","10.1016/0022-4596(87)90157-5","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001746","13.007","0.001","12.325","0.002","5.2829","0.0008","90","","90","","90","","846.9","","","","","","","","","","","","","4","C c m 21","C 2c -2c","36","","Rubidium phosphorus tungsten oxide (.5/8/8/40)","","- O40 P8 Rb0.5 W8 -","- O40 P8 Rb0.5 W8 -","- O40 P8 Rb0.5 W8 -","1","0.125","","Lamire, M; Labbe, P; Goreaud, M; Raveau, B","Rbx P8 W8 O40: Un bronze-diphosphate de tungstene a tunnels octagonaux. Etude structurale comparee avec Cs P8 W8 O40","Revue de Chimie Minerale","1987","24","","153","164","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001747","3.8865","0.0001","3.8865","0.0001","41.827","0.002","90","","90","","90","","631.8","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Calcium gadolinium copper oxide chloride (3.8/2.2/3/8.16/3.84)","","- Ca3.8 Cl3.84 Cu3 Gd2.2 O8.16 -","- Ca3.8 Cl3.84 Cu3 Gd2.2 O8.16 -","- Ca7.6 Cl7.68 Cu6 Gd4.4 O16.32 -","2","0.0625","","Pelloquin, D; Sundaresan, A; Hervieu, M; Michel, C; Raveau, B","New copper oxychlorides Ca4 Ln2 Cu3 O8 Cl4, first members of the intergrowth series (Ca2 Cu O2 Cl2)m (Ln2 Ca2 Cu2 O6 Cl2)n (Ln = Gd,Sm)","Journal of Solid State Chemistry","1996","127","","315","324","10.1006/jssc.1996.0389","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001748","14.22","0.001","6.5138","0.0006","7.5166","0.0008","90","","90","","90","","696.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium divanadium(III) oxide bis(phosphate(V))","","- O9 P2 Sr V2 -","- O9 P2 Sr V2 -","- O36 P8 Sr4 V8 -","4","0.5","","Boudin, S; Grandin, A; Labbe, Ph; Provost, J; Raveau, B","The V(III) monophosphate series A V2 O (P O4)2 with A = Cd, Ca, Sr: structure and magnetism","Journal of Solid State Chemistry","1996","127","","325","330","10.1006/jssc.1996.0390","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001749","5.386","0.0007","5.4195","0.0007","15.72","0.002","90","","90","","90","","458.9","","","","","","","","","","","","","7","C m m m","-C 2 2","65","","Lead calcium strontium yttrium copper chromium oxide (1.75/0.2/2/1/2.85/0.15/8)","","- Ca0.2 Cr0.15 Cu2.85 O8 Pb1.75 Sr2 Y -","- Ca0.2 Cr0.15 Cu2.85 O8 Pb1.75 Sr2 Y -","- Ca0.4 Cr0.3 Cu5.7 O16 Pb3.5 Sr4 Y2 -","2","0.125","","Seshadri, R; Maignan, A; Hervieu, M; Martin, C; Raveau, B; Rao, C N R","Substitution of chromium for univalent copper in superconducting Pb2 Sr2 (Ca, Y) Cu3 O8+d","Journal of Solid State Chemistry","1996","127","","64","71","10.1006/jssc.1996.0357","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001750","5.1625","0.0004","5.1625","0.0004","11.1616","0.0009","90","","90","","90","","297.5","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Cadmium molybdenum tungsten oxide (1/0.5/0.5/4)","","- Cd Mo0.5 O4 W0.5 -","- Cd Mo0.5 O4 W0.5 -","- Cd4 Mo2 O16 W2 -","4","0.25","","Daturi, M; Borel, M M; Leclaire, A; Savary, L; Costentin, G; Lavalley, J C; Raveau, B","Crystallographic and catalytic studies of a new solid solution Cd Mox W1-x O4","Journal de Chimie Physique et de Physico-Chimie Biologique","1996","93","","2043","2053","","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001751","5.0289","0.0004","5.8596","0.0005","5.0715","0.0006","90","","91.519","0.008","90","","149.4","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Cadmium tungstate","","- Cd O4 W -","- Cd O4 W -","- Cd2 O8 W2 -","2","0.5","","Daturi, M; Borel, M M; Leclaire, A; Savary, L; Costentin, G; Lavalley, J C; Raveau, B","Crystallographic and catalytic studies of a new solid solution Cd Mox W1-x O4","Journal de Chimie Physique et de Physico-Chimie Biologique","1996","93","","2043","2053","","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001752","3.8056","0.0001","3.8056","0.0001","30.48199","0.001","90","","90","","90","","441.5","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Lead mercury strontium iron oxide (0.43/0.43/4/2/9)","","- Fe2 Hg0.4325 O9 Pb0.4325 Sr4 -","- Fe2 Hg0.4325 O9 Pb0.4325 Sr4 -","- Fe4 Hg0.865 O18 Pb0.865 Sr8 -","2","0.0625","","Nguyen, N; Daniel, P; Groult, D; Raveau, B; Greneche, J M","New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with the 0201 - 1201 intergrowth type structure","Materials Chemistry and Physics","1996","45","","33","38","10.1016/0254-0584(96)80044-7","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001753","3.8084","0.0002","3.8084","0.0002","30.45299","0.001","90","","90","","90","","441.7","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Lead cadmium strontium iron oxide (0.4/0.4/4/2/9)","","- Cd0.395 Fe2 O9 Pb0.395 Sr4 -","- Cd0.395 Fe2 O9 Pb0.395 Sr4 -","- Cd0.79 Fe4 O18 Pb0.79 Sr8 -","2","0.0625","","Nguyen, N; Daniel, P; Groult, D; Raveau, B; Greneche, J M","New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with the 0201 - 1201 intergrowth type structure","Materials Chemistry and Physics","1996","45","","33","38","10.1016/0254-0584(96)80044-7","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001754","7.735","0.001","12.655","0.001","8.324","0.001","90","","105.97","0.01","90","","783.4","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Lithium molybdenum tungsten oxide phosphate (0.5/1/1/3/2)","","- Li0.5 Mo O11 P2 W -","- Li0.5 Mo0.9995 O11 P2 W1.0005 -","- Li2 Mo3.998 O44 P8 W4.002 -","4","1","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","Nonstoichiometry in the Li Mo2 (P O4)3 structure: the molybdenotungsten monophosphate Li0.5 Mo W O3 (P O4)2","Materials Research Bulletin","1996","31","10","1257","1262","10.1016/0025-5408(96)00116-X","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001755","3.8801","0.0002","3.8801","0.0002","9.495","0.001","90","","90","","90","","142.9","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury cerium barium copper oxide (0.85/0.15/2/1/4.15)","","- Ba2 Ce0.15 Cu Hg0.85 O4.15 -","- Ba2 Ce0.15 Cu Hg0.85 O4.15 -","- Ba2 Ce0.15 Cu Hg0.85 O4.15 -","1","0.0625","","Letouze, F; Huve, M; Martin, C; Maignan, A; Michel, C; Hervieu, M; Raveau, B","Introduction of lanthanide on the mercury site of the Hg Ba2 Cu O4 superconductor","Materials Research Bulletin","1996","31","6","657","663","10.1016/0025-5408(96)00049-9","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001756","4.3499","0.0002","4.3499","0.0002","25.36699","0.001","90","","90","","90","","480","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Dithallium tribarium dichloride pentaoxide","","- Ba3 Cl2 O5 Tl2 -","- Ba3 Cl2 O5 Tl2 -","- Ba6 Cl4 O10 Tl4 -","2","0.0625","","Letouze, F; Martin, C; Pelloquin, D; Michel, C; Hervieu, M; Raveau, B","A thallium oxychloride closely related to the Sr3 Ti2 O7 and Y Ba Fe Cu O5 structures: Ba3 Tl2 O5 Cl2","Materials Research Bulletin","1996","31","7","773","780","10.1016/0025-5408(96)00065-7","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001757","3.81474","0.00006","3.81474","0.00006","12.8293","0.0003","90","","90","","90","","186.7","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium lead strontium iron oxide (0.5/0.5/3/2/8)","","- Fe2 O8 Pb0.5 Sr3 Tl0.5 -","- Fe2 O8 Pb0.5 Sr3 Tl0.5 -","- Fe2 O8 Pb0.5 Sr3 Tl0.5 -","1","0.0625","","Nguyen, N.; Groult, D.; Caignaert, V.; Ducouret, A.; Raveau, B.","Neutron diffraction and Moessbauer spectroscopy studies of the mixed valent Tl-1212 ferrite (Tl~0.5~Pb~0.5~)Sr~3~Fe~2~O~8~","Physica B: Condensed Matter","1996","228","3-4","251","260","10.1016/S0921-4526(96)00488-7","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1001758","3.81002","0.00005","3.81002","0.00005","12.7964","0.0002","90","","90","","90","","185.8","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium lead strontium iron oxide (0.5/0.5/3/2/8)","","- Fe2 O8 Pb0.5 Sr3 Tl0.5 -","- Fe2 O8 Pb0.5 Sr3 Tl0.5 -","- Fe2 O8 Pb0.5 Sr3 Tl0.5 -","1","0.0625","","Nguyen, N.; Groult, D.; Caignaert, V.; Ducouret, A.; Raveau, B.","Neutron diffraction and Moessbauer spectroscopy studies of the mixed valent Tl-1212 ferrite (Tl~0.5~Pb~0.5~)Sr~3~Fe~2~O~8~","Physica B: Condensed Matter","1996","228","3-4","251","260","10.1016/S0921-4526(96)00488-7","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1001759","3.7652","0.0001","3.7652","0.0001","8.9428","0.0003","90","","90","","90","","126.8","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury bismuth strontium copper oxide (0.5/0.5/2/1/4.92)","","- Bi0.5 Cu Hg0.5 O4.92 Sr2 -","- Bi0.5 Cu Hg0.5 O4.92 Sr2 -","- Bi0.5 Cu Hg0.5 O4.92 Sr2 -","1","0.0625","","Pelloquin, D; Michel, C; Hervieu, M; Studer, F; Raveau, B","On the crystal structure of the ""1201"" superconductors Hg0.5 Bi0.5 Sr2- x Lax Cu O5-d","Physica C (Amsterdam) (152,1988-)","1996","257","","195","209","10.1016/0921-4534(95)00722-9","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001760","3.7769","0.0001","3.7769","0.0001","8.8252","0.0003","90","","90","","90","","125.9","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Mercury bismuth strontium lanthanum copper oxide (0.5/0.5/1.5/0.5/1/5)","","- Bi0.5 Cu Hg0.5 La0.5 O5 Sr1.5 -","- Bi0.5 Cu Hg0.5 La0.5 O5 Sr1.5 -","- Bi0.5 Cu Hg0.5 La0.5 O5 Sr1.5 -","1","0.0625","","Pelloquin, D; Michel, C; Hervieu, M; Studer, F; Raveau, B","On the crystal structure of the ""1201"" superconductors Hg0.5 Bi0.5 Sr2- x Lax Cu O5-d","Physica C (Amsterdam) (152,1988-)","1996","257","","195","209","10.1016/0921-4534(95)00722-9","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001761","3.7803","0.0001","15.2573","0.0002","17.67369","0.0003","90","","90","","90","","1019.4","","","","","","","","","","","","","5","A 2 m m","A -2 2","35","","Thallium strontium copper chromate oxide (3/8/4/1/15.9)","","- Cr Cu4 O19.9 Sr8 Tl3 -","- Cr Cu4 O19.9 Sr8 Tl3 -","- Cr2 Cu8 O39.8 Sr16 Tl6 -","2","0.25","","Michel, C; Letouze, F; Martin, C; Hervieu, M; Raveau, B","Neutron diffraction structure determination of the superconducting copper oxychromate Tl3 (Cr O4) Sr8 Cu4 O16","Physica C (Amsterdam) (152,1988-)","1996","262","","159","167","10.1016/0921-4534(96)00239-0","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001762","3.88","0.0004","3.88","0.0004","9.492","0.002","90","","90","","90","","142.9","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury bismuth barium copper oxide (0.8/0.2/2/1/4.28)","","- Ba2 Bi0.22 Cu Hg0.78 O4.28 -","- Ba2 Bi0.22 Cu Hg0.78 O4.28 -","- Ba2 Bi0.22 Cu Hg0.78 O4.28 -","1","0.0625","","Pelloquin, D; Maignan, A; Guesdon, A; Hardy, V; Raveau, B","Single crystal study of the ""1201"" superconductor Hg0.8 Bi0.2 Ba2 Cu O4+d","Physica C (Amsterdam) (152,1988-)","1996","265","","5","12","10.1016/0921-4534(96)00296-1","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001763","3.7619","0.0001","3.7619","0.0001","8.9984","0.0004","90","","90","","90","","127.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium bismuth strontium copper oxide (0.65/0.46/1.86/1/4.99)","","- Bi0.4601 Cu O4.99 Sr1.86 Tl0.6499 -","- Bi0.46 Cu O4.99 Sr1.86 Tl0.65 -","- Bi0.46 Cu O4.99 Sr1.86 Tl0.65 -","1","0.0625","","Michel, C; Hervieu, M; Martin, C; Maignan, A; Huve, M; Raveau, B","Modulated ordering of bismuth and strontium in the ""1201"" cuprate (Tl2/3 Bi1/3)0.97 Sr1.86 Bi0.14 Cu O5-d","Physica C (Amsterdam) (152,1988-)","1996","271","","111","121","10.1016/S0921-4534(96)00527-8","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001764","3.8845","0.0003","3.8845","0.0003","9.5237","0.0009","90","","90","","90","","143.7","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (0.84/2/1.16/4.19)","","- Ba2 Cu1.16 Hg0.84 O4.19 -","- Ba2 Cu1.16 Hg0.84 O4.19 -","- Ba2 Cu1.16 Hg0.84 O4.19 -","1","0.0625","","Pelloquin, D; Hardy, V; Maignan, A; Raveau, B","Single crystals of the 96 K superconductor (Hg, Cu) Ba2 Cu O4+d: growth, structure and magnetism","Physica C (Amsterdam) (152,1988-)","1997","273","","205","212","10.1016/S0921-4534(96)00627-2","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001765","5.431","0.002","7.625","0.002","5.477","0.002","90","","90","","90","","226.8","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Neodymium strontium manganese oxide (0.5/0.5/1/3)","","- Mn Nd0.5 O3 Sr0.5 -","- Mn Nd0.5 O3 Sr0.5 -","- Mn4 Nd2 O12 Sr2 -","4","0.25","","Caignaert, V; Millange, F; Hervieu, M; Suard, E; Raveau, B","The manganite Nd0.5 Sr0.5 Mn O3: a rare distortion of the perovskite","Solid State Communications","1996","99","3","173","177","10.1016/0038-1098(96)00189-5","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001766","13.766","0.001","8.002","0.001","15.497","0.001","90","","98.34","0.01","90","","1689","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dipotassium catena-tungstodiphosphate","","- K2 O9 P2 W -","- K2 O9 P2 W -","- K16 O72 P16 W8 -","8","1","","Borel, M-M; Leclaire, A; Chardon, J; Michel, C; Raveau, B","New molybdeno- and tungstodiphosphates with the (N H4)2 Mo O2 P2 O7chain-like structure","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)","1997","324","","189","195","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001767","4.8984","0.0004","8.3919","0.0008","7.034","0.001","90","","109.33","0.01","90","","272.8","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Lithium molybdenum(III) diphosphate","","- Li Mo O7 P2 -","- Li Mo O7 P2 -","- Li2 Mo2 O14 P4 -","2","1","","Ledain, S; Leclaire, A; Borel, M M; Raveau, B","Li Mo P2 O7","Acta Crystallographica C (39,1983-)","1996","52","","1593","1594","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001768","3.589","0.008","3.589","0.008","4.911","0.014","90","","90","","120","","54.8","","","","","","","","","","","","synthetic by slow diffusion","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C","Hydrogen thermal motion in calcium hydroxide: Ca (O H)2","Acta Crystallographica B (39,1983-)","1993","49","","812","817","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1001769","3.589","0.008","3.589","0.008","4.911","0.014","90","","90","","120","","54.8","","","","","","","","","","","","synthetic by slow diffusion","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C","Hydrogen thermal motion in calcium hydroxide: Ca (O H)2","Acta Crystallographica B (39,1983-)","1993","49","","812","817","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1001770","7.876","0.002","7.876","0.002","3.954","0.001","90","","90","","120","","212.4","","","","","","","","","","","","synthetic","4","P 3 2 1","P 3 2""","150","","Calcium chloride hexahydrate","Antarcticite","- Ca Cl2 H12 O6 -","- Ca Cl2 H12 O6 -","- Ca Cl2 H12 O6 -","1","0.166667","","Leclaire, A; Borel, M M","Le dichlorure et le dibromure de calcium hexahydrates","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2938","2940","10.1107/S0567740877009881","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001771","8.82","","12.992","","7.161","","90","","116.4","","90","","735","","","","","","","","","","","","sanidine - artificial from gel at 873 K, 1 kbar, for 7 d","4","C 1 2/m 1","-C 2y","12","Rubidium feldspar","Rubidium tecto-alumotrisilicate","","- Al O8 Rb Si3 -","- Al O8 Rb Si3 -","- Al4 O32 Rb4 Si12 -","4","0.5","","Gasperin, M","Structure cristalline de Rb Al Si3 O8","Acta Crystallographica B (24,1968-38,1982)","1971","27","","854","855","10.1107/S0567740871003078","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001772","4.634","","7.69","","13.512","","90","","90","","90","","481.5","","","","","","","","","","","","synthetic","3","P c m n","-P 2n 2ac","62","","Barium phyllo-disilicate","Sanbornite","- Ba O5 Si2 -","- Ba O5 Si2 -","- Ba4 O20 Si8 -","4","0.5","","Goreaud, M; Choisnet, J; Raveau, B; Deschanvres, A","Sur les silicogermanates Ba (Si2-x Gex) O5 isotypes de la sanbornite","Revue de Chimie Minerale","1974","11","","207","216","","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001773","6.728","0.005","6.728","0.005","9.838","0.005","90","","90","","120","","385.7","","","","","","","","","","","","synthetic","4","P -6 c 2","P -6c 2","188","","Barium tin(IV) cyclo-trisilicate","Pabstite","- Ba O9 Si3 Sn -","- Ba O9 Si3 Sn -","- Ba2 O18 Si6 Sn2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Sur de nouveaux germanates et silicates de type benitoite","Journal of Solid State Chemistry","1972","4","","209","218","10.1016/0022-4596(72)90107-7","","","","","","0.103","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001774","8.215","0.002","8.215","0.002","8.215","0.002","76.04","0.02","76.04","0.02","76.04","0.02","512.2","","","","","","","","","","","","synthetic from solution at 348 K","5","R -3 :R","-P 3*","148","","Calcium dimagnesium chloride dodecahydrate","Tachyhydrite","- Ca Cl6 H24 Mg2 O12 -","- Ca Cl6 H24 Mg2 O12 -","- Ca Cl6 H24 Mg2 O12 -","1","0.166667","","Leclaire, A; Borel, M M; Monier, J C","Structure de la tachydrite","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2734","2735","10.1107/S0567740880009806","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1001775","3.88","0.004","3.88","0.004","3.88","0.004","90","","90","","90","","58.4","","","","","","","","","","","","synthetic from melt, and from Sukula, SW Finland","3","P m -3 m","-P 4 2 3","221","","Tin tantalate(IV)","Sukulaite","- O3 Sn Ta -","- O3 Sn Ta -","- O3 Sn Ta -","1","0.0208333","","Gasperin, M","Synthese et identification de deux oxydes doubles de tantale et d'etain.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1955","240","","2340","2342","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001776","10.37","0.05","10.37","0.05","10.37","0.05","90","","90","","90","","1115.2","","","","","","","","","","heating U Ta2 O8 at 1973 K for 30 min","","synthetic by heating U Ta2 O8 at 1973 K for 30 min","3","F d -3 m :1","F 4d 2 3 -1d","227","","Uranium ditantalate","Uranmicrolite","- O7 Ta2 U -","- O7 Ta2 U -","- O56 Ta16 U8 -","8","0.0416667","","Gasperin, M","Contribution a l'etude de quelques oxydes doubles que forme le tantale avec l'etain, l'uranium et le calcium.","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1960","83","","1","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001777","10.37","","10.37","","10.37","","90","","90","","90","","1115.2","","","","","","","","","","heating U Ta2 O8 at 1973 K for 30 min","","synthetic by heating U Ta2 O8 at 1973 K for 30 min","3","F d -3 m :1","F 4d 2 3 -1d","227","","Diuranium ditantalate(III)","Uranmicrolite","- O7 Ta2 U2 -","- O7 Ta2 U2 -","- O56 Ta16 U16 -","8","0.0416667","","Gasperin, M","Synthese et identification d'un oxyde double de tantale et d'uranium.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1956","243","","1534","1536","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001778","10.578","0.005","10.578","0.005","10.578","0.005","90","","90","","90","","1183.6","","","","","","","","","","heated to 373 K","","synthetic from solution, heated to 373 K","4","F d -3 m :2","-F 4vw 2vw 3","227","","Lead diniobate hydrate","Plumbopyrochlore","- H2 Nb2 O7 Pb -","- H2 Nb2 O7 Pb -","- H16 Nb16 O56 Pb8 -","8","0.0416667","","Groult, D.; Michel, C.; Raveau, B.","Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions","Journal of Inorganic and Nuclear Chemistry","1975","37","","2203","2205","10.1016/0022-1902(75)80857-8","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","287514","2023-11-10","14:18:44",""
"1001779","10.56","0.005","10.56","0.005","10.56","0.005","90","","90","","90","","1177.6","","","","","","","","","","heated to 373 K","","synthetic from solution, heated to 373 K","4","F d -3 m :2","-F 4vw 2vw 3","227","","Lead tantalate hydrate","Plumbomicrolite","- H2 O7 Pb Ta2 -","- H2 O7 Pb Ta2 -","- H16 O56 Pb8 Ta16 -","8","0.0416667","","Groult, D.; Michel, C.; Raveau, B.","Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions","Journal of Inorganic and Nuclear Chemistry","1975","37","","2203","2205","10.1016/0022-1902(75)80857-8","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","287514","2023-11-10","14:18:45",""
"1001780","8.869","0.002","5.493","0.001","4.849","0.001","90","","90","","90","","236.2","","","","","","","","","","","","synthetic","3","C m c 21","C 2c -2","36","","Disilicon dinitride oxide","Sinoite","- N2 O Si2 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales de l'oxynitrure de silicium sous contraintes thermiques","Materials Research Bulletin","1980","15","","1207","1213","10.1016/0025-5408(80)90022-7","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001781","8.884","0.002","5.522","0.001","4.873","0.001","90","","90","","90","","239.1","","","","","","","","","","","","synthetic","3","C m c 21","C 2c -2","36","","Disilicon dinitride oxide","Sinoite","- N2 O Si2 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales de l'oxynitrure de silicium sous contraintes thermiques","Materials Research Bulletin","1980","15","","1207","1213","10.1016/0025-5408(80)90022-7","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001782","10.086","0.003","13.441","0.004","4.703","0.002","90","","104.27","0.02","90","","617.9","","","","","","","","","","","","from Huanuni tin mine, Bolivia","4","C 1 2/m 1","-C 2y","12","","Triiron bis(phosphate(V)) octahydrate","Vivianite","- Fe3 H16 O16 P2 -","- Fe3 H16 O16 P2 -","- Fe6 H32 O32 P4 -","2","0.25","","Fejdi, P.; Poullen, J. F.; Gasperin, M.","Affinement de la structure de la vivianite Fe3(PO4)2*8H2O Locality: synthetic","Bulletin de Mineralogie","1980","103","","135","138","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:25",""
"1001783","7.84","0.01","9.11","0.01","4.67","0.01","95.04","0.01","96.94","0.01","107.72","0.01","312.6","","","","","","","","","","","","from Kamysch-Burun, USSR","4","P -1","-P 1","2","","Triiron bis(phosphate(V)) octahydrate","Metavivianite","- Fe3 H16 O16 P2 -","- Fe3 H16 O16 P2 -","- Fe3 H16 O16 P2 -","1","0.5","","Dormann, J.; Gasperin, M.; Poullen, J. F.","Etude structurale de la sequence d'oxydation de la vivianite Fe3(PO4)2*8(H2O)","Bulletin de Mineralogie","1982","105","","147","160","","","","","","","0.133","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:26",""
"1001784","15.435","0.002","5.865","0.001","10.1696","0.0008","90","","101.829","0.008","90","","901.1","","","","","","","","","","","","synthetic","4","C 1 2/c 1","-C 2yc","15","","Ammonium hydrogensulfate sulfate(VI)","Letovicite","- H13 N3 O8 S2 -","- H13 N3 O8 S2 -","- H52 N12 O32 S8 -","4","0.5","","Leclaire, A; Ledesert, M; Monier, J C; Daoud, A; Damak, M","Structure du disulfate acide de triammonium. Une redetermination. Relations des chaines de liaisons hydrogene avec la morphologie et la conductivite eletrique","Acta Crystallographica B (39,1983-)","1985","41","","209","213","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001785","8.8709","0.0004","5.4907","0.0002","4.85","0.0002","90","","90","","90","","236.2","","","","","","","","","","","","synthetic","3","C m c 21","C 2c -2","36","","Disilicon dinitride oxide","Sinoite","- N2 O Si2 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","","Baraton, M I; Billy, M; Labbe, J C; Quintard, P; Roult, G","L'Oxynitrure de Silicium : Si2 N2 O II. Evolution Structurale et Endommagement par Irradiation aux Neutrons Rapides","Materials Research Bulletin","1988","23","","1087","1099","10.1016/0025-5408(88)90198-5","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001786","8.8911","0.0002","5.4781","0.0003","4.8302","0.0002","90","","90","","90","","235.3","","","","","","","","","","","","synthetic","3","C m c 21","C 2c -2","36","","Disilicon dinitride oxide - irradiated sample","Sinoite irradiated","- N2 O Si2 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","","Baraton, M I; Billy, M; Labbe, J C; Quintard, P; Roult, G","L'Oxynitrure de Silicium : Si2 N2 O II. Evolution Structurale et Endommagement par Irradiation aux Neutrons Rapides","Materials Research Bulletin","1988","23","","1087","1099","10.1016/0025-5408(88)90198-5","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001787","3.589","0.008","3.589","0.008","4.911","0.014","90","","90","","120","","54.8","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","Portlandite","- Ca H2 O2 -","- Ca H1.998 O2 -","- Ca H1.998 O2 -","1","0.0833333","","Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C","Hydrogen thermal motion in calcium hydroxide: Ca (O H)2","Acta Crystallographica B (39,1983-)","1993","49","","812","817","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001788","3.589","0.008","3.589","0.008","4.911","0.014","90","","90","","120","","54.8","","","","","","","","","","","","synthetic by slow diffusion","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","Portlandite","- Ca H2 O2 -","- Ca H1.998 O2 -","- Ca H1.998 O2 -","1","0.0833333","","Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C","Hydrogen thermal motion in calcium hydroxide: Ca (O H)2","Acta Crystallographica B (39,1983-)","1993","49","","812","817","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001789","3.832","0.0001","3.832","0.0001","16.41119","0.0005","90","","90","","90","","241","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Thallium chromium strontium copper carbonate nitrate oxide (0.85/0.15/4/2/0.5/0.5/7)","","- C0.5 Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85 -","- C0.5 Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85 -","- C0.5 Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85 -","1","0.0625","","Barnabe, A; Letouze, F; Pelloquin, D; Maignan, A; Hervieu, M; Raveau, B","A new superconducting oxycarbonitrate: (Tl5/6 Cr1/6) Sr4 Cu2 (C O3)1/2 (N O3)1/2 O7","Chemistry of Materials (1,1989-","1997","9","","2205","2211","10.1021/cm970370v","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001790","3.88416","0.00003","3.88416","0.00003","12.543","0.0002","90","","90","","90","","189.2","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium barium calcium praseodymium copper oxide (1/2/0.42/0.58/2/7)","","- Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl -","- Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl -","- Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl -","1","0.0625","","Sundaresan, A; Michel, C; Raveau, B; Huong, P V","Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies","Chemistry of Materials (1,1989-","1997","9","","2212","2217","10.1021/cm970377c","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001791","3.85262","0.00004","3.85262","0.00004","12.2813","0.0002","90","","90","","90","","182.3","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Thallium barium strontium calcium praseodymium copper oxide (0.96/1/1/0.43/0.57/2/6.98)","","- Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964 -","- Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964 -","- Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964 -","1","0.0625","","Sundaresan, A; Michel, C; Raveau, B; Huong, P V","Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies","Chemistry of Materials (1,1989-","1997","9","","2212","2217","10.1021/cm970377c","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001792","3.8262","0.00008","3.8262","0.00008","12.1262","0.0003","90","","90","","90","","177.5","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium strontium calcium praseodymium copper oxide (0.94/2/0.48/0.52/2/6.96)","","- Ca0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94 -","- Ca0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94 -","- Ca0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94 -","1","0.0625","","Sundaresan, A; Michel, C; Raveau, B; Huong, P V","Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies","Chemistry of Materials (1,1989-","1997","9","","2212","2217","10.1021/cm970377c","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001793","3.8246","0.0001","3.8246","0.0001","16.5069","0.0004","90","","90","","90","","241.5","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium strontium copper iron(III) carbonate oxide (0.85/4/1.85/0.30/1/7)","","- C Cu1.85 Fe0.3 O10 Sr4 Tl0.85 -","- C Cu1.85 Fe0.3 O10 Sr4 Tl0.85 -","- C Cu1.85 Fe0.3 O10 Sr4 Tl0.85 -","1","0.0625","","Letouze, F; Martin, C; Hervieu, M; Nguyen, N; Maignan, A; Michel, C; Raveau, B","Stabilisation of a thallium oxycarbonate by trivalent iron: Tl0.85 Sr4 Cu1.85 Fe0.30 (C O3) O7","European Journal of Solid State Inorganic Chemistry","1997","34","","983","990","","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001794","3.8687","0.0002","3.8687","0.0002","12.496","0.001","90","","90","","90","","187","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Mercury vanadium barium strontium calcium copper oxide (0.69/0.31/1.95/0.05/1/2/7)","","- Ba1.95 Ca Cu2 Hg0.69 O7 Sr0.05 V0.31 -","- Ba1.95 Ca Cu2 Hg0.69 O7 Sr0.05 V0.31 -","- Ba1.95 Ca Cu2 Hg0.69 O7 Sr0.05 V0.31 -","1","0.0625","","Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B","Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d","European Journal of Solid State Inorganic Chemistry","1997","34","","1063","1074","","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001795","3.8643","0.0003","3.8643","0.0003","12.445","0.001","90","","90","","90","","185.8","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Mercury vanadium barium strontium calcium copper oxide (0.67/0.33/1.70/0.30/1/2/7)","","- Ba1.7 Ca Cu2 Hg0.67 O7 Sr0.3 V0.33 -","- Ba1.7 Ca Cu2 Hg0.67 O7 Sr0.3 V0.33 -","- Ba1.7 Ca Cu2 Hg0.67 O7 Sr0.3 V0.33 -","1","0.0625","","Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B","Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d","European Journal of Solid State Inorganic Chemistry","1997","34","","1063","1074","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001796","3.8628","0.0003","3.8628","0.0003","12.407","0.001","90","","90","","90","","185.1","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Mercury vanadium barium strontium calcium copper oxide (0.69/0.31/1.59/0.51/0.90/2/7)","","- Ba1.59 Ca0.9 Cu2 Hg0.69 O7 Sr0.51 V0.31 -","- Ba1.59 Ca0.9 Cu2 Hg0.69 O7 Sr0.51 V0.31 -","- Ba1.59 Ca0.9 Cu2 Hg0.69 O7 Sr0.51 V0.31 -","1","0.0625","","Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B","Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d","European Journal of Solid State Inorganic Chemistry","1997","34","","1063","1074","","","","","","","0.082","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001797","3.8601","0.0003","3.8601","0.0003","12.35","0.001","90","","90","","90","","184","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Mercury vanadium barium strontium calcium copper oxide (0.69/0.31/1.33/0.80/0.87/2/7)","","- Ba1.33 Ca0.87 Cu2 Hg0.69 O7 Sr0.8 V0.31 -","- Ba1.33 Ca0.87 Cu2 Hg0.69 O7 Sr0.8 V0.31 -","- Ba1.33 Ca0.87 Cu2 Hg0.69 O7 Sr0.8 V0.31 -","1","0.0625","","Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B","Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d","European Journal of Solid State Inorganic Chemistry","1997","34","","1063","1074","","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001798","3.8575","0.0004","3.8575","0.0004","12.295","0.001","90","","90","","90","","183","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Mercury vanadium barium strontium calcium copper oxide (0.69/0.31/1.13/1.07/0.80/2/7)","","- Ba1.13 Ca0.8 Cu2 Hg0.69 O7 Sr1.07 V0.31 -","- Ba1.13 Ca0.8 Cu2 Hg0.69 O7 Sr1.07 V0.31 -","- Ba1.13 Ca0.8 Cu2 Hg0.69 O7 Sr1.07 V0.31 -","1","0.0625","","Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B","Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d","European Journal of Solid State Inorganic Chemistry","1997","34","","1063","1074","","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001799","5.026","0.001","5.078","0.001","5.867","0.001","90","","90","","91.47","0.01","149.7","","","","","","","","","","","","","3","P 1 1 2/b","-P 2b","13","","Cadmium tungstate","","- Cd O4 W -","- Cd O4 W -","- Cd2 O8 W2 -","2","0.5","","Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P","Vibrational and XRD study of the system Cd W O4 - Cd Mo O4","Journal of Physical Chemistry","1997","101","","4358","4369","10.1021/jp963008x","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001800","5.156","0.001","5.156","0.001","11.196","0.001","90","","90","","90","","297.6","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Cadmium molybdate","","- Cd Mo O4 -","- Cd Mo O4 -","- Cd4 Mo4 O16 -","4","0.25","","Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P","Vibrational and XRD study of the system Cd W O4 - Cd Mo O4","Journal of Physical Chemistry","1997","101","","4358","4369","10.1021/jp963008x","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001801","5.031","0.001","5.074","0.001","5.858","0.001","90","","90","","91.48","0.02","149.5","","","","","","","","","","","","","4","P 1 1 2/b","-P 2b","13","","Cadmium molybdenum tungsten oxide (1/0.25/0.75/4)","","- Cd Mo0.25 O4 W0.75 -","- Cd Mo0.25 O4 W0.75 -","- Cd2 Mo0.5 O8 W1.5 -","2","0.5","","Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P","Vibrational and XRD study of the system Cd W O4 - Cd Mo O4","Journal of Physical Chemistry","1997","101","","4358","4369","10.1021/jp963008x","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001802","5.158","0.001","5.158","0.001","11.187","0.001","90","","90","","90","","297.6","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Cadmium molybdenum tungsten oxide (1/0.75/0.25/4)","","- Cd Mo0.75 O4 W0.25 -","- Cd Mo0.75 O4 W0.25 -","- Cd4 Mo3 O16 W -","4","0.25","","Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P","Vibrational and XRD study of the system Cd W O4 - Cd Mo O4","Journal of Physical Chemistry","1997","101","","4358","4369","10.1021/jp963008x","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001803","3.7536","0.0002","30.631","0.002","9.219","0.001","90","","90","","90","","1060","","","","","","","","","","","","","5","A 2 m m","A -2 2","35","","Thallium barium strontium copper oxide (5/3/5/3/19)","","- Ba3 Cu3 O19 Sr5 Tl5 -","- Ba3 Cu3 O19 Sr5 Tl5 -","- Ba6 Cu6 O38 Sr10 Tl10 -","2","0.25","","Letouze, F; Martin, C; Hervieu, M; Michel, C; Maignan, A; Raveau, B","A new structure related to the layered cuprates: the ""1201"" shear-like phase Tl5 Ba3 Sr5 Cu3 O19, third member of the series (Tl A2 Cu O5)m . (Tl2 A2 O4)","Journal of Solid State Chemistry","1997","128","","150","155","10.1006/jssc.1996.7201","","","","","","0.097","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001804","7.827","0.001","12.538","0.001","7.833","0.001","90","","92.36","0.01","90","","768","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Molybdenum tungsten oxide phosphate(V) (1.04/0.96/3/2)","","- Mo1.04 O11 P2 W0.96 -","- Mo1.04 O11 P2 W0.96 -","- Mo4.16 O44 P8 W3.84 -","4","1","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","The molybdenotungsten monophosphate Mo W O3 (P O4)2 : an original three- dimensional framework built up of ""M P O8"" chains (M = Mo, W)","Journal of Solid State Chemistry","1997","128","","191","196","10.1006/jssc.1996.7182","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001805","8.142","0.001","6.361","0.001","7.728","0.001","90","","102.45","0.01","90","","390.8","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Lithium molybdenum tungsten oxide phosphate(V) (1/0.68/1.32/3/2)","","- Li Mo0.68 O11 P2 W1.32 -","- Li Mo0.68 O11 P2 W1.32 -","- Li2 Mo1.36 O22 P4 W2.64 -","2","0.25","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","A mixed valent molybdenotungsten monophosphate with an original intersecting tunnel structure: Li (Mo, W)2 O3 (P O4)2","Journal of Solid State Chemistry","1997","128","","215","219","10.1006/jssc.1996.7190","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001806","9.953","0.002","9.953","0.002","26.41299","0.004","90","","90","","90","","2616.5","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Caesium hexamolybdenum decaoxide dimolybdate tetrakis(phosphate(V))","","- Cs Mo8 O33 P4 -","- Cs Mo8 O33 P4 -","- Cs4 Mo32 O132 P16 -","4","0.25","","Hoareau, T; Leclaire, A; Borel, M M; Provost, J; Raveau, B","A mixed valent molybdenum monophosphate with an original cage structure Cs Mo6 O10 (Mo2 O7) (P O4)4","Journal of Solid State Chemistry","1997","128","","233","240","10.1006/jssc.1996.7195","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001807","15.668","0.001","8.135","0.001","17.74699","0.002","90","","107.994","0.007","90","","2151.4","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dilithium sodium bis(oxomolybdenum(V)) tris(phosphate(V))","","- Li2 Mo2 Na O14 P3 -","- Li2 Mo2 Na O14 P3 -","- Li16 Mo16 Na8 O112 P24 -","8","1","","Ledain, S; Leclaire, A; Borel, M M; Raveau, B","A Mo(V) monophosphate with an original tridimensional framework: Li2 Na (Mo O)2 (P O4)3","Journal of Solid State Chemistry","1997","129","","298","302","10.1006/jssc.1996.7255","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001808","10.0344","0.0009","14.43","0.001","8.1599","0.0005","90","","90.78","0.006","90","","1181.4","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tellurium molybdenum oxide (1/5/16)","","- Mo5 O16 Te -","- Mo5 O16 Te -","- Mo20 O64 Te4 -","4","1","","Vallar, S; Goreaud, M","Structure cristalline d'une forme monoclinique de Te Mo5 O16, oxyde a valence mixte conducteur bidimensionnel","Journal of Solid State Chemistry","1997","129","","303","307","10.1006/jssc.1996.7256","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001809","10.756","0.002","9.493","0.001","15.478","0.003","90","","108.99","0.02","90","","1494.4","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rubidium molybdenum tungsten oxide phosphate(V) (2/1.98/1.02/5/3)","","- Mo1.983 O17 P3 Rb2 W1.017 -","- Mo1.983 O17 P3 Rb2 W1.017 -","- Mo7.932 O68 P12 Rb8 W4.068 -","4","1","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","Mixed valent molybdenotungsten monophosphate Rb2 Mo2 W O5 (P O4)3: an interconnected tunnel structure","Journal of Solid State Chemistry","1997","130","","48","53","10.1006/jssc.1997.7273","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001810","18.17299","0.002","18.17299","0.002","2.836","0.001","90","","90","","90","","936.6","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Barium manganese oxide (6.3/24/48)","","- Ba6.3 Mn24 O48 -","- Ba6.3 Mn24 O48 -","- Ba6.3 Mn24 O48 -","1","0.0625","","Boullay, Ph; Hervieu, M; Raveau, B","A new manganite with an original composite tunnel structure: Ba6 Mn24 O48","Journal of Solid State Chemistry","1997","132","","239","248","10.1006/jssc.1997.7412","","","","","","0.114","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001811","15.211","0.002","8.9093","0.0008","9.362","0.001","90","","115.99","0.01","90","","1140.4","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Trisodium tecto-dimolybdo(V)triphosphate(V)","","- Mo2 Na3 O14 P3 -","- Mo2 Na3.04 O14 P3 -","- Mo8 Na12.16 O56 P12 -","4","0.5","","Ledain, S; Leclaire, A; Borel, M M; Raveau, B","A sodium molybdenyl monophosphate with an intersecting tunnel structure: Na3 (Mo O)2 (P O4)3","Journal of Solid State Chemistry","1997","132","","249","256","10.1006/jssc.1997.7416","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001812","3.8445","0.0001","3.8445","0.0001","30.09799","0.001","90","","90","","90","","444.9","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Thallium mercury strontium barium iron oxide (1.4/0.47/2/1/2/8.75)","","- Ba Fe2 Hg0.467 O8.75 Sr2 Tl1.402 -","- Ba Fe2 Hg0.468 O8.752 Sr2 Tl1.402 -","- Ba2 Fe4 Hg0.936 O17.504 Sr4 Tl2.804 -","2","0.0625","","Nguyen, N; Groult, D; Boullay, P; Michel, C; Raveau, B","New mixed valent ferrites (Tl1.5 Hg0.5) Sr3-x Bax Fe2 O9-d (0<x<2) with the Tl-2212-type structure","Journal of Solid State Chemistry","1997","132","","308","314","10.1006/jssc.1997.7464","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001813","22.181","0.002","11.564","0.001","9.548","0.001","90","","90","","90","","2449.1","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dipotassium tecto-divanado(IV)tetraphosphate(V)","","- K2 O15 P4 V2 -","- K2 O15 P4 V2 -","- K16 O120 P32 V16 -","8","1","","Borel, M M; Leclaire, A; Chardon, J; Provost, J; Rebbah, H; Raveau, B","A V(IV) tetraphosphate with a tunnel structure K2 (V O)2 P4 O13","Journal of Solid State Chemistry","1997","132","","41","46","10.1006/jssc.1997.7404","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001814","5.3594","0.0001","5.3443","0.0001","30.976","0.004","90","","90","","90","","887.2","","","","","","","","","","","","","6","A b m m","-A 2b 2b","67","","Bismuth lead strontium calcium manganese oxide (1.5/0.5/1.53/1.47/2/9)","","- Bi1.5 Ca1.47 Mn2 O9 Pb0.5 Sr1.53 -","- Bi1.5 Ca1.47 Mn2 O9 Pb0.5 Sr1.53 -","- Bi6 Ca5.88 Mn8 O36 Pb2 Sr6.12 -","4","0.25","","Hervieu, M; Michel, C; Pelloquin, D; Maignan, A; Raveau, B","A bismuth manganite with the ""2212"" structure: Bi2-x Pbx Sr1.5 Ca1.5 Mn2 O9-d","Journal of Solid State Chemistry","1997","132","","420","431","10.1006/jssc.1997.7484","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001815","11.946","0.002","12.716","0.002","8.274","0.001","90.26","0.01","96.87","0.01","89.67","0.01","1247.8","","","","","","","","","","","","","4","P -1","-P 1","2","","Trilithium tecto-pentaoxotris(phosphato(V))trimolybdate","","- Li3 Mo3 O17 P3 -","- Li3 Mo3 O17 P3 -","- Li12 Mo12 O68 P12 -","4","2","","Ledain, S; Leclaire, A; Borel, M M; Provost, J; Raveau, B","A mixed valent molybdenum monophosphate with a bidimensional connection of Mo O6 octahedra : Li3 Mo3 O5 (P O4)3","Journal of Solid State Chemistry","1997","133","","391","399","10.1006/jssc.1997.7482","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001816","10.4","","10.4","","10.4","","90","","90","","90","","1124.9","","","","","","","","","","","","synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lead diantimonate","Bindheimite","- O7 Pb2 Sb2 -","- O7 Pb2 Sb2 -","- O56 Pb16 Sb16 -","8","0.0416667","","Gasperin, M","Synthese et identification de deux oxydes doubles de tantale et d'etain.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1955","240","","2340","2342","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1001817","10.607","0.005","10.607","0.005","10.607","0.005","90","","90","","90","","1193.4","","","","","","","","","","","","synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","Barium hydrogen niobium oxide hydrate (0.5/1/2/6/1)","Bariopyrochlore","- Ba0.5 H3 Nb2 O7 -","- Ba0.5 H3 Nb2 O7 -","- Ba4 H24 Nb16 O56 -","8","0.0416667","","Groult, D; Michel, C; Raveau, B","Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions","Journal of Inorganic and Nuclear Chemistry","1975","37","","2203","2205","10.1016/0022-1902(75)80857-8","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001818","5.34","0.002","9.524","0.002","10.235","0.003","90","","100.07","0.02","90","","512.5","","","","","","","","","","","","from Franklin Furnace, New Jersey, USA","13","C 1 2/m 1","-C 2y","12","","Potassium sodium barium magnesium zinc manganese iron aluminium titanium chromium silicon oxide hydroxide *","Hendricksite 1M","- Al1.15 Ba0.04 Cr0.01 Fe0.25 H2 K0.89 Mg1.57 Mn0.4 Na0.1 O12 Si2.92 Ti0.07 Zn0.54 -","- Al1.1376 Ba0.04 Cr0.006 Fe0.252 H3 K0.89 Mg1.572 Mn0.4002 Na0.1 O12 Si2.92 Ti0.072 Zn0.54 -","- Al2.2752 Ba0.08 Cr0.012 Fe0.504 H6 K1.78 Mg3.144 Mn0.8004 Na0.2 O24 Si5.84 Ti0.144 Zn1.08 -","2","0.25","","Robert, J L; Gasperin, M","Crystal Structure Refinement of Hendricksite, a Zn- and Mn-rich Trioctahedral Potassium Mica: a Contribution to the Crystal Chemistry of Zinc-Bearing Minerals","TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-)","1985","34","","1","14","10.1007/BF01082453","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001819","3.8523","0.0005","3.8523","0.0005","9.077","0.001","90","","90","","90","","134.7","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Mercury tetraoxovanadium barium strontium copper oxide (0.67/0.3/1/1/1/3.34)","","- Ba Cu Hg0.67 O4.66 Sr V0.33 -","- Ba Cu Hg0.67 O4.66 Sr V0.332 -","- Ba Cu Hg0.67 O4.66 Sr V0.332 -","1","0.0625","","Knížek, K.; Malo, S.; Michel, C.; Hervieu, M.; Maignan, A.; Raveau, B.","The 1201 superconductors Hg~1-y~(VO~4~)y(Ba, Sr)~2~CuO~4-2y+δ~: evidence for VO~4~ tetrahedra","Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands)","1997","277","1-2","119","132","10.1016/S0921-4534(97)00020-8","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","200133","2020-10-21","18:00:00",""
"1001820","7.79","0.001","5.526","0.001","5.479","0.001","90","","90.78","","90","","235.8","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Lanthanum manganese oxide (.91/1/3)","","- La0.9125 Mn O3 -","- La0.9125 Mn O3 -","- La3.65 Mn4 O12 -","4","0.5","","Maignan, A.; Michel, C.; Hervieu, M.; Raveau, B.","A monoclinic manganite, La~0.9~MnO~3-δ~, with colossal magnetoresistance properties near room temperature","Solid State Communications","1997","101","4","277","281","10.1016/S0038-1098(96)00533-9","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","200124","2020-10-21","18:00:00",""
"1001821","5.312","0.001","6.5557","0.0008","42.196","0.008","90","","90","","90","","1469.4","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Phosphorus tungsten oxide (4/24/80)","","- O80 P4 W24 -","- O80 P4 W24 -","- O80 P4 W24 -","1","0.25","","Roussel, P; Mather, G; Domenges, B; Groult, D; Labbe, P","Structural investigation of P4 W24 O80: A new monophosphate tungsten bronze","Acta Crystallographica B (39,1983-)","1998","54","","365","375","","","","","","","0.0284","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001822","3.7865","0.0001","15.854","0.0004","7.654","0.0002","90","","90","","90","","459.5","","","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Strontium manganese(III) boron oxide (4/3.2/0.8/10)","","- B0.8 Mn3.2 O10 Sr4 -","- B0.8 Mn3.2 O10 Sr4 -","- B1.6 Mn6.4 O20 Sr8 -","2","0.25","","Pelloquin, D; Hervieu, M; Michel, C; Nguyen, N; Raveau, B","A new manganese oxyborate, Sr4 Mn3 (B1-x Mnx) O10, closely related to the perovskite structure type","Journal of Solid State Chemistry","1997","134","","395","408","10.1006/jssc.1997.7612","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001823","5.5919","0.0002","5.6277","0.0002","7.914","0.0003","90","","90","0","90","","249","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dilanthanum magnesium platinate","","- La2 Mg O6 Pt -","- La2 Mg O6 Pt -","- La4 Mg2 O12 Pt2 -","2","0.5","","Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M","New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)","Materials Chemistry and Physics","1997","51","","117","124","10.1016/S0254-0584(97)80279-9","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001824","5.5741","0.0001","5.6304","0.0001","7.8973","0.0002","90","","90","0","90","","247.9","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dilanthanum nickel platinate","","- La2 Ni O6 Pt -","- La2 Ni O6 Pt -","- La4 Ni2 O12 Pt2 -","2","0.5","","Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M","New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)","Materials Chemistry and Physics","1997","51","","117","124","10.1016/S0254-0584(97)80279-9","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001825","5.5944","0.0001","5.6879","0.0001","7.9351","0.0001","90","","90","0","90","","252.5","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dilanthanum zinc platinate","","- La2 O6 Pt Zn -","- La2 O6 Pt Zn -","- La4 O12 Pt2 Zn2 -","2","0.5","","Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M","New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)","Materials Chemistry and Physics","1997","51","","117","124","10.1016/S0254-0584(97)80279-9","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001826","5.5722","0.0002","5.6459","0.0001","7.8906","0.0002","90","","90","0","90","","248.2","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dilanthanum cobalt platinate","","- Co La2 O6 Pt -","- Co La2 O6 Pt -","- Co2 La4 O12 Pt2 -","2","0.5","","Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M","New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)","Materials Chemistry and Physics","1997","51","","117","124","10.1016/S0254-0584(97)80279-9","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001827","5.4833","0.0001","5.7043","0.0001","7.7842","0.0001","90","","90","0","90","","243.5","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dipraseodymium cobalt platinate","","- Co O6 Pr2 Pt -","- Co O6 Pr2 Pt -","- Co2 O12 Pr4 Pt2 -","2","0.5","","Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M","New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)","Materials Chemistry and Physics","1997","51","","117","124","10.1016/S0254-0584(97)80279-9","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001828","5.4416","0.0001","5.6975","0.0001","7.7495","0.0001","90","","90","0","90","","240.3","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dineodymium cobalt platinate","","- Co Nd2 O6 Pt -","- Co Nd2 O6 Pt -","- Co2 Nd4 O12 Pt2 -","2","0.5","","Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M","New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)","Materials Chemistry and Physics","1997","51","","117","124","10.1016/S0254-0584(97)80279-9","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001829","3.8577","0.0001","3.8577","0.0001","11.794","0.0003","90","","90","","90","","175.5","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper iron oxide (1/2/2.94/0.06/6.36)","","- Ba2 Cu2.94 Fe0.06 O6.36 Y -","- Ba2 Cu2.94 Fe0.06 O6.36 Y -","- Ba2 Cu2.94 Fe0.06 O6.36 Y -","1","0.0625","","Suard, E; Mirebeau, I; Caignaert, V; Imbert, P; Balagurov, A M","Influence of a deoxygenation process on the magnetic diagram of iron doped Y Ba2 Cu3 Oy phases: a neutron diffraction study","Physica C (Amsterdam) (152,1988-)","1997","288","","10","20","10.1016/S0921-4534(97)01465-2","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001830","3.8575","0.0001","3.8575","0.0001","11.8056","0.0003","90","","90","","90","","175.7","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper iron oxide (1/2/2.88/0.12/6.26)","","- Ba2 Cu2.88 Fe0.12 O6.26 Y -","- Ba2 Cu2.88 Fe0.12 O6.26 Y -","- Ba2 Cu2.88 Fe0.12 O6.26 Y -","1","0.0625","","Suard, E; Mirebeau, I; Caignaert, V; Imbert, P; Balagurov, A M","Influence of a deoxygenation process on the magnetic diagram of iron doped Y Ba2 Cu3 Oy phases: a neutron diffraction study","Physica C (Amsterdam) (152,1988-)","1997","288","","10","20","10.1016/S0921-4534(97)01465-2","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001831","3.8697","0.0001","3.8697","0.0001","11.8353","0.0004","90","","90","","90","","177.2","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper iron oxide (1/2/2.64/0.36/6.41)","","- Ba2 Cu2.64 Fe0.36 O6.41 Y -","- Ba2 Cu1.655 Fe0.345 O6.41 Y -","- Ba2 Cu1.655 Fe0.345 O6.41 Y -","1","0.0625","","Suard, E; Mirebeau, I; Caignaert, V; Imbert, P; Balagurov, A M","Influence of a deoxygenation process on the magnetic diagram of iron doped Y Ba2 Cu3 Oy phases: a neutron diffraction study","Physica C (Amsterdam) (152,1988-)","1997","288","","10","20","10.1016/S0921-4534(97)01465-2","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001832","3.8718","0.0001","3.8718","0.0001","11.8256","0.0004","90","","90","","90","","177.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper iron oxide (1/2/2.52/0.48/6.46)","","- Ba2 Cu2.52 Fe0.48 O6.46 Y -","- Ba2 Cu1.56 Fe0.44 O6.46 Y -","- Ba2 Cu1.56 Fe0.44 O6.46 Y -","1","0.0625","","Suard, E; Mirebeau, I; Caignaert, V; Imbert, P; Balagurov, A M","Influence of a deoxygenation process on the magnetic diagram of iron doped Y Ba2 Cu3 Oy phases: a neutron diffraction study","Physica C (Amsterdam) (152,1988-)","1997","288","","10","20","10.1016/S0921-4534(97)01465-2","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001833","6.758","0.001","6.339","0.001","7.054","0.001","90","","110.13","0.01","90","","283.7","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Molybdenum dioxide hydroxotrioxophosphate(V) hydrate","","- H3 Mo O7 P -","- H3 Mo O7 P -","- H6 Mo2 O14 P2 -","2","0.5","","Biot, C; Leclaire, A; Borel, M M; Raveau, B","Revised crystal structure of molybdenum hydroxymonophosphate, (Mo O2) . (H2 O) . (P (O3 O H))","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","792","794","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001834","6.3524","0.0007","6.3524","0.0007","4.0916","0.0005","90","","90","","90","","165.1","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Niobium tungsten oxide phosphate(V) (0.79/0.21/1/1) α-α'","","- Nb0.787 O5 P W0.213 -","- Nb0.787 O5 P W0.213 -","- Nb1.574 O10 P2 W0.426 -","2","0.125","","Leclaire, A.; Borel, M. M.; Raveau, B.; Mezaoui, D.","Combination of α-NbOPO~4 type layers with enantiomorphic α'-type layers: the ""racemic structure"" of α-α'-(Nb~0.787~W~0.213OPO~4~)","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","837","839","10.1524/zkri.1997.212.12.837","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","200077","2020-10-21","18:00:00",""
"1001835","5.893","0.003","7.469","0.002","12.07","0.002","90","","90","","90","","531.3","","","","","","","","","","","","Synthetic","4","P b c n","-P 2n 2ab","60","","Calcium chloride dihydrate","Sinjarite","- Ca Cl2 H4 O2 -","- Ca Cl2 H4 O2 -","- Ca4 Cl8 H16 O8 -","4","0.5","","Leclaire, A.; Borel, M. M.","Le dichlorure de calcium dihydrate","Acta Crystallographica, Section B","1977","33","","1608","1610","10.1107/S0567740877006645","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1001836","7.375","0.0013","7.375","0.0013","7.5009","0.0006","90","","90","","120","","353.3","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Indium tungsten oxide (0.3/1/3)","","- In0.3 O3 W -","- In0.3 O3 W -","- In1.8 O18 W6 -","6","0.25","","Labbe, P H; Goreaud, M; Raveau, B; Monier, J C","Etude comparative des structures Mx W O3 de type bronze hexagonal. I. Analyse structurale des bronzes de composition M0.3 W O3 . Stereochimie des elements M=Rb, Tl et In","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1433","1438","10.1107/S0567740878005841","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001837","8.436","0.001","9.594","0.002","7.952","0.002","90","","100.65","0.02","90","","632.5","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Cadmium arsenide iodide (2/3/1)","","- As3 Cd2 I -","- As3 Cd2 I -","- As12 Cd8 I4 -","4","1","","Rebbah, A; Leclaire, A; Yazbeck, J; Deschanvres, A","Structure de l'iodure de cadmium et d'arsenic Cd2 As3 I","Acta Crystallographica B (24,1968-38,1982)","1979","35","","2197","2199","10.1107/S0567740879008773","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001838","14.59","","10.52","","6.82","","90","","90","","122.25","","885.3","","","","","","","","","","","","","3","B 1 1 2/b","-B 2b","15","","Yttrium silicate oxide","","- O5 Si Y2 -","- O5 Si Y2 -","- O40 Si8 Y16 -","8","1","","Michel, C; Buisson, G; Bertaut, E F","Structure de Y2 Si O5","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie B","1967","264","","397","399","","","","","","","0.114","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001839","10.48","","10.48","","10.48","","90","","90","","90","","1151","","","","","","","","","","","","synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","Ditin ditantalate","Stannomicrolite","- O7 Sn2 Ta2 -","- O7 Sn2 Ta2 -","- O56 Sn16 Ta16 -","8","0.0416667","","Gasperin, M","Synthese et identification de deux oxydes doubles de tantale et d'etain.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1955","240","","2340","2342","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1001840","10.47","0.005","10.47","0.005","10.47","0.005","90","","90","","90","","1147.7","","","","","","","","","","","","synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","Ditin ditantalum oxide","Stannomicrolite","- O7 Sn2 Ta2 -","- O7 Sn2 Ta2 -","- O56 Sn16 Ta16 -","8","0.0416667","","Gasperin, M","Contribution a l'etude de quelques oxydes doubles que forme le tantale avec l'etain, l'uranium et le calcium.","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1960","83","","1","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001841","17.53499","0.011","11.889","0.007","12.816","0.008","90","","90","","90","","2671.8","","","","","","","","","","","","","3","P 1 21 1 (c,2*a+c,b)","P 2yb (-1/2*x+z,1/2*x,y)","4","","Trilanthanum rhenium(VII) oxide","","- La3 O8 Re -","- La3 O8 Re -","- La48 O128 Re16 -","16","","","Baud, G; Besse, J; Chevalier, R; Gasperin, M","Structure cristalline de La3 Re O8","Journal of Solid State Chemistry","1979","29","","267","272","10.1016/0022-4596(79)90232-9","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1001842","7.83","","33.20999","","6.46","","90","","90","","90","","1679.8","","","","","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","Tetrapotassium hexaniobium oxide","","- K4 Nb6 O17 -","- K4 Nb6 O17 -","- K16 Nb24 O68 -","4","1","","Gasperin, M; le Bihan, M T","Mecanisme d'hydratation des niobates alcalins lamellaires de formule A4 Nb4 O17 (A=K,Rb,Cs)","Journal of Solid State Chemistry","1982","43","","346","353","10.1016/0022-4596(82)90251-1","","","","","","0.147","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001843","8.022","0.005","8.022","0.005","16.51299","0.009","90","","90","","120","","920.3","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Sodium trineptunium(IV) fluoride","","- F13 Na Np3 -","- F13 Na Np3 -","- F52 Na4 Np12 -","4","0.166667","","Cousson, A; Abazli, H; Pages, M; Gasperin, M","Fluorure de neptunium et de sodium: Na Np3 F13","Acta Crystallographica C (39,1983-)","1983","39","","318","320","","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001844","8.455","0.008","8.858","0.009","8.396","0.01","113.83","","116.64","","58.03","","465.2","","","","","","","","","","","","","4","P 1","P 1","1","","Trineptunium(IV) fluoride hydrate","","- F12 H2 Np3 O -","- F12 H2 Np3 O -","- F24 H4 Np6 O2 -","2","2","","Cousson, A; Abazli, H; Pages, M; Gasperin, M","Tetrafluorure de Neptunium Hydrate, Np3 F12 1. 1H H2 O","Acta Crystallographica C (39,1983-)","1983","39","","425","427","","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001845","19.58899","0.003","3.7681","0.0002","16.96999","0.003","90","","91.864","0.014","90","","1251.9","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Potassium phosphorus tungsten oxide (1/4/20/67)","","- K O67 P4 W20 -","- K O67 P4 W20 -","- K O67 P4 W20 -","1","0.25","","Labbe, P; Ouachee, D; Goreaud, M; Raveau, B","Bronzes with a Tunnel Structure Kx P4 O8 (W O3)2m: The Tenth Member of the Series - K P8 W40 O136","Journal of Solid State Chemistry","1983","50","","163","172","10.1016/0022-4596(83)90184-6","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001846","7.3244","0.0013","7.9045","0.0007","9.5745","0.0015","90","","111.858","0.013","90","","514.5","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Iron(III) sodium diphosphate(V) - HT-form II","","- Fe Na O7 P2 -","- Fe Na O7 P2 -","- Fe4 Na4 O28 P8 -","4","1","","Gabelica-Robert, M; Goreaud, M; Labbe, P; Raveau, B","The pyrophosphate Na Fe P2 O7: A cage structure","Journal of Solid State Chemistry","1982","45","","389","395","10.1016/0022-4596(82)90184-0","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001847","7.524","0.004","7.524","0.004","8.259","0.008","90","","90","","120","","404.9","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Titanium hexatantalum dithallium oxide","","- O18 Ta6 Ti Tl2 -","- O18 Ta6 Ti Tl1.9998 -","- O18 Ta6 Ti Tl1.9998 -","1","0.0833333","","Desgardin, G; Robert, C; Raveau, B","Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18","Materials Research Bulletin","1978","13","","621","626","10.1016/0025-5408(78)90187-3","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001848","7.524","0.004","7.524","0.004","8.259","0.008","90","","90","","120","","404.9","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Dithallium hexatantalum titanium oxide","","- O18 Ta6 Ti Tl2 -","- O18 Ta6 Ti Tl1.9998 -","- O18 Ta6 Ti Tl1.9998 -","1","0.0833333","","Desgardin, G; Robert, C; Raveau, B","Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18","Materials Research Bulletin","1978","13","","621","626","10.1016/0025-5408(78)90187-3","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001849","7.537","0.004","7.537","0.004","8.224","0.008","90","","90","","120","","404.6","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Titanium hexaniobium dithallium oxide","","- Nb6 O18 Ti Tl2 -","- Nb6 O18 Ti Tl1.9998 -","- Nb6 O18 Ti Tl1.9998 -","1","0.0833333","","Desgardin, G; Robert, C; Raveau, B","Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18","Materials Research Bulletin","1978","13","","621","626","10.1016/0025-5408(78)90187-3","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001850","7.537","0.004","7.537","0.004","8.224","0.008","90","","90","","120","","404.6","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Titanium hexaniobium dithallium oxide","","- Nb6 O18 Ti Tl2 -","- Nb6 O18 Ti Tl1.9998 -","- Nb6 O18 Ti Tl1.9998 -","1","0.0833333","","Desgardin, G; Robert, C; Raveau, B","Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18","Materials Research Bulletin","1978","13","","621","626","10.1016/0025-5408(78)90187-3","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001851","8.44","0.003","13.034","0.004","8.203","0.003","90","","112.49","0.02","90","","833.8","","","","","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","Tris(octasulfur) tetraimidotetrasulfur - $-gamma","","- H4 N4 S28 -","- H6 N4 S28 -","- H6 N4 S28 -","1","0.25","","Fernandez, H G; Gasperin, M; Freymann, R","Cristallochimie - etude structurale, chimique et par spectrographie infrarouge du complexe par transfert de charge (S8)3 (S4 (N H)4)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1981","292","","1393","1396","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001852","8.2905","0.001","8.2905","0.001","17.439","0.0023","90","","90","","120","","1038","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Rubidium molybdophosphatosilicate *","","- Mo3 O25 P5.8 Rb Si2 -","- Mo3 O25 P5.82 Rb Si2 -","- Mo6 O50 P11.64 Rb2 Si4 -","2","0.166667","","Leclaire, A; Monier, J C; Raveau, B","A molybdosilicophosphate with an intersecting - tunnel structure, which exhibits ion - exchange properties, a Mo3 P5.8 Si2 O25 (A = Rb, Tl)","Acta Crystallographica B (39,1983-)","1984","40","","180","185","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001853","8.2832","0.0005","8.2832","0.0005","17.4343","0.001","90","","90","","120","","1035.9","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Thallium molybdosilicophosphate *","","- Mo3 O25 P5.8 Si2 Tl -","- Mo3 O25 P5.82 Si2 Tl -","- Mo6 O50 P11.64 Si4 Tl2 -","2","0.166667","","Leclaire, A; Monier, J R; Raveau, B","A molybdosilicophosphate with an intersecting - tunnel structure, which exhibits ion - exchange properties, a Mo3 P5.8 Si2 O25 (A = Rb, Tl)","Acta Crystallographica B (39,1983-)","1984","40","","180","185","","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001854","8.644","0.004","8.644","0.004","3.867","0.003","90","","90","","90","","288.9","","","","","","","","","","","","","4","P 4/m","-P 4","83","","Barium tetralanthanum pentacopper 13.4-oxide","","- Ba Cu5 La4 O13.4 -","- Ba Cu5 La4 O13.395 -","- Ba Cu5 La4 O13.395 -","1","0.125","","Michel, C; Er-Rakho, L; Raveau, B","The oxygen defect perovskite Ba La4 Cu5 O13.4, a metallic conductor","Materials Research Bulletin","1985","20","","667","671","10.1016/0025-5408(85)90144-8","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001855","8.6974","0.0007","8.6974","0.0007","22.12299","0.002","90","","90","","120","","1449.3","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Niobium(IV) niobium(V) phosphate(V)","","- Nb2 O12 P3 -","- Nb2 O12 P3 -","- Nb12 O72 P18 -","6","0.166667","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A mixed-valence niobium phosphate with an empty nasicon structure: Nb2 (P O4)3","Acta Crystallographica C (39,1983-)","1989","45","","699","701","","","","","","","0.0347","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001856","5.072","0.001","4.903","0.001","8.402","0.002","90","","90","","90","","208.9","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","Dilithium titanium hexaoxotellurate","","- Li2 O6 Te Ti -","- Li2 O6 Te Ti -","- Li4 O12 Te2 Ti2 -","2","0.5","","Choisnet, J; Rulmont, A; Tarte, P","Ordering phenomena in the Li Sb O3 type structure: The new mixed tellurates Li2 Ti Te O6 and Li2 Sn Te O6","Journal of Solid State Chemistry","1989","82","","272","278","10.1016/0022-4596(89)90292-2","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001857","8.2648","0.0009","8.2648","0.0009","17.03799","0.001","90","","90","","120","","1007.9","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Potassium titanium disilicohexaphosphate (1/3/1)","","- K O25 P6 Si2 Ti3 -","- K O25 P6 Si2 Ti3 -","- K2 O50 P12 Si4 Ti6 -","2","0.166667","","Benmoussa, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25 and Cs Ti3 P6 Si2 O25","Acta Crystallographica C (39,1983-)","1991","47","","936","938","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001858","8.2145","0.0006","8.2145","0.0006","17.24899","0.001","90","","90","","120","","1008","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Caesium titanium disilicohexaphosphate (1/3/1)","","- Cs O25 P6 Si2 Ti3 -","- Cs O25 P6 Si2 Ti3 -","- Cs2 O50 P12 Si4 Ti6 -","2","0.166667","","Benmoussa, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25 and Cs Ti3 P6 Si2 O25","Acta Crystallographica C (39,1983-)","1991","47","","936","938","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001859","13.3799","0.0009","13.3799","0.0009","10.3713","0.001","90","","90","","120","","1607.9","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Calcium caesium niobiophosphate *","","- Ca0.504 Cs2 Nb6 O24 P3 -","- Ca0.504 Cs1.998 Nb6 O24 P3 -","- Ca1.512 Cs5.994 Nb18 O72 P9 -","3","0.166667","","Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","A niobium phosphate with a tunnel structure: Ca0.5Cs2Nb6P3O24","Journal of Solid State Chemistry","1991","90","","279","284","10.1016/0022-4596(91)90143-6","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001860","9.1584","0.0005","9.1584","0.0005","12.0404","0.0004","90","","90","","120","","874.6","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Tripotassium tecto-octaniobate","","- K3 Nb8 O21 -","- K3 Nb8 O21 -","- K6 Nb16 O42 -","2","0.0833333","","Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Single-crystal structure of K3 Nb8 O21","Acta Crystallographica C (39,1983-)","1993","49","","439","441","","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001861","9.046","0.001","9.046","0.001","27.883","0.001","90","","90","","120","","1976","","","","","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","Potassium calcium siliconiobate *","","- Ca0.75 K6.5 Nb14 O47 Si4 -","- Ca0.75 K6.5001 Nb14 O47 Si4 -","- Ca1.5 K13.0002 Nb28 O94 Si8 -","2","0.0833333","","Borel, M M; Chardon, J; Grandin, A; Leclaire, A; Raveau, B","Structure of a new siliconiobate K6.5 Ca0.75 Nb14 Si4 O47","Acta Crystallographica C (39,1983-)","1993","49","","570","571","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001862","13.3518","0.0005","13.3518","0.0005","10.3415","0.0005","90","","90","","120","","1596.6","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Sodium dirubidium tecto-hexaniobotriphosphate(V)","","- Na Nb6 O24 P3 Rb2 -","- Na Nb6 O24 P3 Rb1.998 -","- Na3 Nb18 O72 P9 Rb5.994 -","3","0.166667","","Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","A large family of niobium phosphates with the Ca0.5 Cs2 Nb6 P3 O24 structure","Materials Research Bulletin","1991","26","","301","307","10.1016/0025-5408(91)90025-H","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001863","16.952","0.002","16.952","0.002","11.833","0.001","90","","90","","120","","2944.9","","","","","","","","","","","","","6","P 63/m","-P 6c","176","","Dipotassium heptacaesium tecto-nonamolybdo(V)trialumoundecaphosphate(V)","","- Al3 Cs7 K2 Mo9 O59 P11 -","- Al3 Cs7.002 K1.998 Mo9 O59 P11 -","- Al6 Cs14.004 K3.996 Mo18 O118 P22 -","2","0.166667","","Guesdon, A; Leclaire, A; Borel, M M; Raveau, B","Significant structural disorganization in alkaline molybdenum(V) aluminophosphates","Chemistry of Materials (1,1989-","1995","7","","1873","1878","10.1021/cm00058a018","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004000","9.0847","0.0005","9.1602","0.0005","9.566","0.0005","103.732","0.001","116.622","0.001","106.265","0.001","619.1","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Tungsten sulfide cluster with","octakis(mu!3$-sulfido)-hexakis(methylamine)-hexa-tungsten","","- C6 H30 N6 S8 W6 -","- C6 H30 N6 S8 W6 -","- C6 H30 N6 S8 W6 -","1","0.5","","Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J.","Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds","Inorganic Chemistry","2001","40","12","2666","2674","10.1021/ic001314q","","","0.71073","MoKα","","0.047","0.0444","","","0.1222","0.1239","","","","","","1.097","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1004001","24.6648","0.0012","19.8619","0.0009","20.1365","0.001","90","","103.324","0.001","90","","9599.1","0.8","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Tungsten sulfide cluster with tri-n-","octakis(mu!3$-sulfido)-hexakis(tri-n-butylphosphine)-hexa-tungsten","","- C72 H162 P6 S8 W6 -","- C72 H162 P6 S8 W6 -","- C288 H648 P24 S32 W24 -","4","0.5","","Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J.","Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds","Inorganic Chemistry","2001","40","12","2666","2674","10.1021/ic001314q","","","0.71073","MoKα","","0.0396","0.025","","","0.0506","0.059","","","","","","1.089","","","","has coordinates,has disorder","301771","2025-08-18","12:22:44",""
"1004002","14.6107","0.0006","16.6282","0.0007","21.2344","0.0009","96.3869","0.0009","93.7166","0.001","92.1225","0.001","5111","0.4","446","2","446","2","","","","","","","","5","P -1","-P 1","2","Tungsten sulfide cluster with","octakis(mu!3$-sulfido)-hexakis(triphenylphophine) -hexa-tungsten-(benzene)solvate","","- C114 H96 P6 S8 W6 -","- C114 H96 P6 S8 W6 -","- C228 H192 P12 S16 W12 -","2","1","","Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J.","Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds","Inorganic Chemistry","2001","40","12","2666","2674","10.1021/ic001314q","","","0.71073","MoKα","","0.0723","0.0368","","","0.0767","0.0881","","","","","","0.957","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1004003","13.9117","0.0001","13.9117","0.0001","32.4106","0.0002","90","","90","","120","","5432.23","0.06","163","2","163","2","","","","","","","?","7","R -3 :H","-R 3","148","","","","- C44 H90 F6 O2 P7 S8 W6 -","- C44.04 H90 F5.96 O1.98 P7 S8 W6 -","- C132.12 H270 F17.88 O5.94 P21 S24 W18 -","3","0.166667","","Laurie I. Hill; Song Jin; Ran Zhou; D. Venkataraman; Francis J. DiSalvo","Synthesis and Characterization of Oxidized W6S8L6 Clusters","Inorganic Chemistry","2001","40","","2660","2665","10.1021/ic001099d","","","0.71073","MoKα","","0.0539","0.0451","","0.0774","0.0755","","","","2.052","2.105","2.105","","","","","has coordinates,has disorder","134621","2020-10-21","18:00:00",""
"1004004","14.8105","0.0013","18.5419","0.0017","25.108","0.002","90","","104.284","0.002","90","","6681.8","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tungsten sulfide cluster with","octakis(mu!3$-sulfido)-hexakis(morpholine) -hexa-tungsten-1.3(morpholine)-3.7(aniline)","","- C51.5 H91.5 N11 O7.25 S8 W6 -","- C51.416 H91.584 N11 O7.292 S8 W6 -","- C205.664 H366.336 N44 O29.168 S32 W24 -","4","0.5","","Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J.","Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds","Inorganic Chemistry","2001","40","12","2666","2674","10.1021/ic001314q","","","0.71073","MoKα","","0.0389","0.0304","","","0.0595","0.0613","","","","","","1.216","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1004005","12.1751","0.0006","12.5456","0.0006","12.7678","0.0006","111.532","0.0011","110.339","0.0011","93.1387","0.0011","1663.41","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Tungsten Sulfide cluster","octakis(μ~3~-sulfido)-hexakis(tert-butylisocyanide)-hexa-tungsten tetrakis(benzene) solvate","","- C54 H78 N6 S8 W6 -","- C54 H78 N6 S8 W6 -","- C54 H78 N6 S8 W6 -","1","0.5","","Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J.","Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds","Inorganic Chemistry","2001","40","12","2666","2674","10.1021/ic001314q","","","0.71073","MoKα","","0.0693","0.0412","","","0.0823","0.091","","","","","","0.993","","","","has coordinates","209502","2020-10-21","18:00:00",""
"1004007","23.1036","0.0004","20.8216","0.0003","11.497","","90","","99.703","0.001","90","","5451.46","0.12","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Tungsten Sulfide cluster","octakis(μu~3~-sulfido)-hexakis(tert-butylamine)-hexa-tungsten tert-butylamine solvate","","- C32 H88 N8 S8 W6 -","- C32 H88 N8 S8 W6 -","- C128 H352 N32 S32 W24 -","4","0.5","","Song Jin; Ran Zhou; Ellen M. Scheuer; Jennifer Adamchuk; Lori L. Rayburn; Francis J. DiSalvo","Synthesis, Characterization, and Ligand Exchange Studies of W6S8L6 Cluster Compounds","Inorganic Chemistry","2001","40","","2666","2674","10.1021/ic001314q","","","0.71073","MoKα","","0.0465","0.0325","","0.0905","0.0747","","","","1.061","0.969","0.969","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1004008","6.221","0.001","10.7702","0.0005","6.935","0.003","90","","107.09","0.02","90","","444.14","","","","","","","","","","","","","4","C 1 2 1","","5","","Copper(I) Chromium Hexaselenodiphosphate(IV)","","- Cr Cu P2 Se6 -","- Cr Cu P2 Se6 -","- Cr2 Cu2 P4 Se12 -","2","0.5","","Bourdon, X.; Maisonneuve, V.; Cajipe, V. B.; Payen, C.; Fischer, J. E.","Copper sublattice ordering in layered Cu M P~2~ Se~6~ (M = In, Cr)","Journal of Alloys and Compounds","1999","283","1-2","122","127","10.1016/S0925-8388(98)00899-8","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1004009","6.4024","0.0001","6.4024","0.0001","13.358","0.0004","90","","90","","120","","474.2","","","","","","","","","","","","","4","P -3 1 c","","163","","Copper(I) Indium Hexaselenodiphosphate(IV)","","- Cu In P2 Se6 -","- Cu In P2 Se6 -","- Cu2 In2 P4 Se12 -","2","0.166667","","Bourdon, X.; Maisonneuve, V.; Cajipe, V. B.; Payen, C.; Fischer, J. E.","Copper sublattice ordering in layered Cu M P~2~ Se~6~ (M = In, Cr)","Journal of Alloys and Compounds","1999","283","1-2","122","127","10.1016/S0925-8388(98)00899-8","","","","","","0.118","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1004010","7.898","0.001","5.514","0.001","12.672","0.003","90","","103.69","0.02","90","","536.182","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-(1,6-Hexanediammonium (μ~2~-fluoro)-tetrafluoroaluminate)","","- C6 H18 Al F5 N2 -","- C6 H18 Al2 F6 N2 -","- C12 H36 Al4 F12 N4 -","2","1","","S.P.Thanh; J.Renaudin; V.Maisonneuve","","Solid State Sciences","2000","2","","143","","10.1016/S1293-2558(00)00125-4","","","","","","","0.056","","","0.056","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004012","10.2935","0.0016","10.2935","0.0016","5.8619","0.0013","90","","90","","120","","537.89","0.17","296","2","296","2","","","","","","","","4","P 63","P 6c","173","La3CuGeS7","lanthanum copper germanium sulfide","","- Cu Ge La3 S7 -","- Cu Ge La3 S7 -","- Cu2 Ge2 La6 S14 -","2","0.333333","","Poduska, K. M.; DiSalvo, F. J.; Min, K.; Halasyamani, P. S.","Structure determination of La~3~CuGeS~7~ and La~3~CuGeSe~7~","Journal of Alloys and Compounds","2002","335","","L5","L9","10.1016/S0925-8388(01)01835-7","","","0.71073","MoKα","","0.0477","0.0447","","","0.0949","0.0957","","","","","","1.365","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1004013","4.0698","0.0005","4.0698","0.0005","20.154","0.003","90","","90","","90","","333.81","0.08","155","5","155","5","","","","","","","","3","I 4/m m m","-I 4 2","139","Lanthanum three niobium two hexanitride","","","- La3 N6 Nb2 -","- La3 N6 Nb2 -","- La6 N12 Nb4 -","2","0.0625","","Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J.","Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor","Journal of Solid State Chemistry","2001","162","","90","95","10.1006/jssc.2001.9359","","","0.71073","MoKα","","0.0211","0.0204","","","0.0372","0.0373","","","","","","1.35","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004014","4.0399","0.0006","4.0399","0.0006","20.185","0.004","90","","90","","90","","329.44","0.1","155","5","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","Lanthanum three tantalum two hexanitride","","","- La3 N6 Ta1.8 -","- La3 N6 Ta1.77 -","- La6 N12 Ta3.54 -","2","0.0625","","Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J.","Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor","Journal of Solid State Chemistry","2001","162","","90","95","10.1006/jssc.2001.9359","","","0.71073","MoKα","","0.0341","0.0243","","","0.0506","0.0671","","","","","","1.189","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004015","4.0674","0.0002","4.0674","0.0002","20.4506","0.001","90","","90","","90","","338.33","0.03","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","Lanthanum three tantalum two hexanitride","","","- La3 N6 Ta2 -","- La3 N6 Ta2 -","- La6 N12 Ta4 -","2","0.0625","","Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J.","Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor","Journal of Solid State Chemistry","2001","162","","90","95","10.1006/jssc.2001.9359","","","0.71073","MoKα","","0.0395","0.0364","","","0.064","0.0653","","","","","","1.385","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004016","8.131","0.003","9.258","0.005","18.084","0.007","90","","90","","90","","1361.31","","","","","","","","","","","","","4","P b c a","","61","","Strontium Hydrogenphosphate(V) - Gamma","","- H O4 P Sr -","- H O4 P Sr -","- H16 O64 P16 Sr16 -","16","2","","Ben Taher, L.; Smiri, L.; Laligant, Y.; Maisonneuve, V.","Investigation of th alkaline earth phosphates: synthesis and crystal structure of a new strontium hydrogen phosphate form","Journal of Solid State Chemistry","2000","152","2","428","434","10.1006/jssc.2000.8700","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","186631","2020-10-21","18:00:00",""
"1004017","4.0451","0.0008","4.0451","0.0008","19.995","0.004","90","","90","","90","","327.18","0.13","155","5","155","2","","","","","","","","3","I 4/m m m","-I 4 2","139","Cerium three tantalum two hexanitride","","","- Ce3 N6 Ta1.97 -","- Ce3 N6 Ta1.968 -","- Ce6 N12 Ta3.936 -","2","0.0625","","Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J.","Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor","Journal of Solid State Chemistry","2001","162","","90","95","10.1006/jssc.2001.9359","","","0.71073","MoKα","","0.0264","0.0233","","","0.0444","0.0454","","","","","","1.285","","","warnings","has coordinates","249449","2020-10-21","18:00:00",""
"1004018","3.83","","3.83","","11.6","","90","","90","","90","","170.159","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Thulium copper oxide","","- Cu O4 Tm2 -","- Cu O6 Tm2 -","- Cu2 O12 Tm4 -","2","0.0625","","Bordet, P.; Capponi, J.-J.; Chaillout, C.; Chateigner, D.; Chenavas, J.; Fournier, T.; Hodeau, J.-L.; Marezio, M.; Perroux, M.; Thomas, G.; Varela, A.","High pressure synthesis and structural study of R2CuO4 compounds with R=Y,Tb,Dy,Ho,Er,Tm","Physica C","1992","193","","178","188","10.1016/0921-4534(92)90885-G","","","","","","","","","","","","","","","","","","","","","has coordinates","189900","2020-10-21","18:00:00",""
"1004019","9.57","0.01","6.99","0.01","12.2","0.01","90","","90","","90","","816.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","AMMONIUM TETRATHIOMOLYBDATE","","- H8 Mo N2 S4 -","- H8 Mo N2 S4 -","- H32 Mo4 N8 S16 -","4","0.5","","Belougne, P; Chezeau, N; Lapasset, J","Nouvel affinement de la structure cristalline du thiomolybdate d'ammonium","Acta Crystallographica B (24,1968-38,1982)","1976","32","","3087","3088","10.1107/S056774087600959X","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1004020","6","0.002","6","0.002","6","0.002","54.42","0.03","54.42","0.03","54.42","0.03","132.9","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Calcium trioxostannate","","- Ca O3 Sn -","- Ca O3 Sn -","- Ca2 O6 Sn2 -","2","0.333333","","Durand, B; Loiseleur, H","Crystal data for an ilmenite variety of calcium stannate Ca Sn O~3~","Journal of Applied Crystallography","1978","11","","289","290","","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004021","5.74","0.001","5.74","0.001","5.74","0.001","55.65","0.02","55.65","0.02","55.65","0.02","120.2","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Manganese tin(IV) oxide","","- Mn O3 Sn -","- Mn O3 Sn -","- Mn2 O6 Sn2 -","2","0.333333","","Durand, B; Diot, M; Mollard, P","Preparation et characterisation de la variete ilmenite des stannates de manganese Mn Sn O~3~ et de calcium Ca Sn O~3~","Annales de Chimie (Paris) (Vol=Year)","1979","1979","","559","607","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004022","6","0.002","6","0.002","6","0.002","54.42","0.03","54.42","0.03","54.42","0.03","132.9","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Calcium tin(IV) oxide","","- Ca O3 Sn -","- Ca O3 Sn -","- Ca2 O6 Sn2 -","2","0.333333","","Durand, B; Diot, M; Mollard, P","Preparation et characterisation de la variete ilmenite des stannates de manganese Mn Sn O~3~ et de calcium Ca Sn O~3~","Annales de Chimie (Paris) (Vol=Year)","1979","1979","","559","607","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004023","8.729","0.002","7.4752","0.0007","11.049","0.006","90","","92.42","0.01","90","","720.3","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Potassium lanthanum chromate","","- Cr2 K La O8 -","- Cr2 K La O8 -","- Cr8 K4 La4 O32 -","4","1","","Bueno, I; Parada, C; Garcia, O; Puebla, E G; Monge, A; Valero, C R","Crystal growth, structure, and properties of K La (Cr O~4~)~2~","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1988","1988","","1911","1914","","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004024","6.3245","0.0001","7.5422","0.0001","11.0095","0.0002","90","","90.12","0.02","90","","525.2","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Diammonium oxotetrafluorotitanate","","- F4 H8 N2 O Ti -","- F4 H13 N2 O Ti -","- F16 H52 N8 O4 Ti4 -","4","1","","Patarin, J; Marcuccilli-Hoffner, F; Kessler, H; Daniels, P","Synthesis and structure determination of (N H4)2 Ti F4 O","European Journal of Solid State Inorganic Chemistry","1994","31","","501","511","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004025","12.645","0.0007","10.8477","0.0005","14.6311","0.0004","90","","98.793","0.005","90","","1983.3","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","Octakis(dimethylammonium) octakis(hydrogenphosphato(V))octakis(dihydrogenphosphato(V))octazincate tetrahydrate","","- C16 H96 N8 O68 P16 Zn8 -","- C16 H96 N8 O68 P16 Zn8 -","- C16 H96 N8 O68 P16 Zn8 -","1","0.25","","Reinert, P.; Zabukovec Logar, N.; Patarin, J.; Kaucic, V.","Synthesis and structure of [Zn~8~(HPO~4~)~8~(H~2~PO~4~)~8~] · [(C~2~H~8~N)~8~] · 4H~2~O","European Journal of Solid State and Inorganic Chemistry","1998","35","4-5","373","387","10.1016/S0992-4361(98)80433-5","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","205545","2020-10-21","18:00:00",""
"1004026","6.64025","0.00003","6.64025","0.00003","5.92625","0.00006","90","","90","","90","","261.3","","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","Zirconium silicate hydroxide fluoride (1/0.31/0.98/1.8)","","- F1.8 H0.98 O2.2 Si0.305 Zr -","- F1.8 H0.245 O2.2 Si0.305 Zr -","- F7.2 H0.98 O8.8 Si1.22 Zr4 -","4","0.125","","Valéro, R.; Paillaud, J. L.; Durand, B.; Guth, J. L.; Chopin, T.","Rietveld refinement of two fluoro-hydroxy-zircons","European Journal of Solid State and Inorganic Chemistry","1998","35","10-11","735","743","10.1016/S0992-4361(99)80013-7","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1004027","6.64821","0.00002","6.64821","0.00002","5.90758","0.00004","90","","90","","90","","261.1","","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","Zirconium silicate hydroxide fluoride (1/0.21/1.38/1.8)","","- F1.8 H1.376 O2.2 Si0.206 Zr -","- F1.8 H0.344 O2.2 Si0.206 Zr -","- F7.2 H1.376 O8.8 Si0.824 Zr4 -","4","0.125","","Valéro, R.; Paillaud, J. L.; Durand, B.; Guth, J. L.; Chopin, T.","Rietveld refinement of two fluoro-hydroxy-zircons","European Journal of Solid State and Inorganic Chemistry","1998","35","10-11","735","743","10.1016/S0992-4361(99)80013-7","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1004028","9.848","0.02","12.47","0.032","12.603","0.028","63.47","0.16","74.56","0.16","76.03","0.17","1321.2","5.2","293","2","293","2","","","","","","","?","7","P -1","-P 1","2","","","","- C10 H30 Co4 Ga6 N4 O41 P10 -","- C10 Co4.56 Ga5.44 N4 O41 P10 -","- C10 Co4.56 Ga5.44 N4 O41 P10 -","1","0.5","","Josien, L.; Simon-Masseron, A.; Gramlich, V.; Patarin, J.; Rouleau, L.","Synthesis and crystal structure of IM-6, a new open framework cobalt-gallium phosphate with 10- and 12-membered pore openings","Chemistry - A European Journal","2003","9","4","856","861","10.1002/chem.200390095","","","1.54178","CuKα","","0.1169","0.0629","","0.1872","0.1535","","","","1.001","1.073","1.073","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1004029","18.035","0.018","10.513","0.011","14.293","0.011","90","","90","","90","","2710","4.4","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C5 H16 Ga6 N2 O27 P6 -","- C5 H16 Ga6 N2 O27 P6 -","- C20 H64 Ga24 N8 O108 P24 -","4","","","Josien, L.; Simon, A.; Gramlich, V.; Patarin, J.","Synthesis and characterization of the new hydroxygallophosphate Mu-18 with a framework topology closely related to that of the hydroxyaluminophosphate AlPO~4^-^~EN3","Chemistry of Materials","2001","13","4","1305","1311","10.1021/cm001199h","","","1.54178","CuKα","","0.0366","0.0364","","0.1045","0.1041","","","","1.094","1.095","1.095","","","","","has coordinates","178246","2020-10-21","18:00:00",""
"1004030","9.976","0.004","10.359","0.006","12.98","0.01","90","","90","","90","","1341.4","1.4","293","2","293","2","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H17 N O10 P2 Zn -","- C5 H17 N O10 P2 Zn -","- C20 H68 N4 O40 P8 Zn4 -","4","1","","Simon, A.; Josien, L.; Gramlich, V.; Patarin, J.","Synthesis and characterization of Mu-19, a new zincophosphate with a three dimensional 12-membered ring channel system","Microporous and Mesoporous Materials","2001","47","2-3","135","146","10.1016/S1387-1811(01)00312-2","","","0.71073","MoKα","","0.0233","0.0222","","0.0572","0.0569","","","","1.126","1.159","1.159","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1004031","13.917","0.013","9.091","0.014","20.489","0.019","90","","102.36","0.08","90","","2532.2","5.1","293","2","293","2","","","","","","","?","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H18 N2 O9 P2 Zn -","- C5 H18 N2 O9 P2 Zn -","- C40 H144 N16 O72 P16 Zn8 -","8","1","","Fleith, S.; Josien, L.; Simon-Masseron, A.; Gramlich, V.; Patarin, J.","Synthesis and characterization of the one-dimensional zincophosphate Mu-22 : [Zn(HPO4)2]8[C5H13N2]8•8H2O","Solid State Sciences","2002","4","1","135","141","10.1016/S1293-2558(01)01222-5","","","0.71073","MoKα","","0.0304","0.0268","","0.0751","0.074","","","","0.853","0.921","0.921","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1004032","8.735","0.011","8.864","0.005","12.636","0.01","98.36","0.05","100.18","0.08","115.84","0.07","838.9","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H43 F6 Ga5 N4 O22 P4 -","- C12 H43 F6 Ga5 N4 O22 P4 -","- C12 H43 F6 Ga5 N4 O22 P4 -","1","0.5","","Josien, L.; Simon, A.; Gramlich, V.; Patarin, J.","Hydrothermal synthesis and characterization of the new layered fluorogallophosphate Mu-23","Chemistry - A European Journal","2002","8","7","1614","1620","10.1002/1521-3765(20020402)8:7<1614::AID-CHEM1614>3.0.CO;2-T","","","0.71073","MoKα","","0.0304","0.0255","","0.0652","0.0641","","","","0.957","1.05","1.05","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004033","8.641","0.005","14.364","0.009","12.581","0.011","90","","96.39","0.06","90","","1551.8","1.9","293","2","293","2","","","","","","","?","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 N2 O12 P3 Zn2 -","- C6 H18 N2 O12 P3 Zn2 -","- C24 H72 N8 O48 P12 Zn8 -","4","1","","Josien, L.; Simon-Masseron, A.; Fleith, S.; Gramlich, V.; Patarin, J.","Hydrothermal synthesis and characterization of new phosphate-based materials prepared in the presence of 1,4-dimethylpiperazine","Impact of Zeolites and other Porous Materials on the new Technologies at the Beginning of the New Millennium Proceedings of the 2nd International FEZA (Federation of the European Zeolite Associations) Conference","2002","142","","415","422","10.1016/S0167-2991(02)80056-8","","","0.71073","MoKα","","0.044","0.0307","","0.0732","0.072","","","","0.836","1.011","1.011","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004034","13.905","","9.952","","7.185","","90","","90","","90","","994.3","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium pentachloroaquaindate","","- Cl5 H2 In K2 O -","- Cl5 H2 In K2 O -","- Cl20 H8 In4 K8 O4 -","4","0.5","","Wignacourt, J P; Mairesse, G; Barbier, P","Potassium pentachloroindate monohydrate, K~2~ (In Cl~5~, H~2~ O)","Crystal Structure Communications","1976","5","","293","296","","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1004035","10.023","","10.023","","25.471","","90","","90","","120","","2216","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Barium dihydroxotrioxoruthenate(VI)","","- Ba H2 O5 Ru -","- Ba H2 O5 Ru -","- Ba18 H36 O90 Ru18 -","18","0.5","","Nowogrocki, G.; Abraham, F.; Trehoux, J.; Thomas, D.","Configuration de l'ion ruthenate: structure cristalline du dihydroxotrioxoruthenate(VI) de baryum, Ba (Ru O~3~ (O H)~2~)","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2413","2419","10.1107/S0567740876007875","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","191024","2020-10-21","18:00:00",""
"1004036","7.007","0.003","6.504","0.004","12.995","0.01","90","","93.32","0.05","90","","591.2","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","LITHIUM TETRACHLOROALUMINATE","","- Al Cl4 Li -","- Al Cl4 Li -","- Al4 Cl16 Li4 -","4","1","","Mairesse, G; Barbier, P; Vignacourt, J P","Lithium tetrachloroaluminate, Li Al Cl~4~","Crystal Structure Communications","1977","6","","15","18","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004037","10.965","0.001","10.965","0.001","10.965","0.001","90","","90","","90","","1318.3","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Potassium bismuth oxide hydroxide *","","- Bi2.37 H1.9 K1.14 O6.8 -","- Bi2.37 H3.7998 K1.14 O6.8 -","- Bi18.96 H30.3984 K9.12 O54.4 -","8","0.0416667","","Trehoux, J; Abraham, F; Thomas, D","Etude structurale d'un pyrochlore non stoechiometrique et desordonne contenant Bi(III) et Bi(V)","Journal of Solid State Chemistry","1977","21","","203","209","10.1016/0022-4596(77)90197-9","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004038","10.481","0.009","7.183","0.005","9.273","0.005","93.1","0.03","90","","90","","697.1","","","","","","","","","","","","","3","P 21 1 1","P 2xa","4","","Potassium tetrachloroaluminate","","- Al Cl4 K -","- Al Cl4 K -","- Al4 Cl16 K4 -","4","2","","Mairesse, G; Barbier, P; Wignacourt, J P","Potassium tetrachloroaluminate","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1328","1330","10.1107/S0567740878005464","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004039","10.513","0.009","10.838","0.007","10.965","0.011","99.21","0.03","135.48","0.03","97.15","0.03","811.7","","","","","","","","","","","","","5","P 1","P 1","1","","Potassium tetrakis(chlorosulfato)borate","","- B Cl4 K O12 S4 -","- B Cl4 K O12 S4 -","- B2 Cl8 K2 O24 S8 -","2","2","","Mairesse, G; Drache, M","The crystal structure of potassium tetrachlorosulfatoborate, K (B (S O~3~ Cl)~4~)","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1771","1776","10.1107/S0567740878006676","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004040","9.302","","9.302","","9.302","","90","","90","","90","","804.9","","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","Bismuth ruthenium oxide (3/3/11)","","- Bi3 O11 Ru3 -","- Bi3 O11 Ru3 -","- Bi12 O44 Ru12 -","4","0.166667","","Abraham, F; Thomas, D","Structure cristalline de Bi~3~ Ru~3~ O~11~","Bulletin de la Societe Chimique de France (Vol=Year)","1975","1975","","25","29","","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004041","8.126","0.004","7.978","0.003","6.762","0.004","103.36","0.03","90.98","0.03","97.86","0.03","422","","","","","","","","","","","","","5","P -1","-P 1","2","","Tripotassium imidobis(sulfonate) hydrate","","- H2 K3 N O7 S2 -","- H2 K3 N O7 S2 -","- H4 K6 N2 O14 S4 -","2","1","","Barbier, P; Parent, Y; Mairesse, G","Crystal structure of K~3~ N (S O~3~)~2~ H~2~ O (I) and refinement of the crystal structure of K~2~ N H (S O~3~)~2~ (II)","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1308","1312","10.1107/S0567740879006324","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004042","12.456","0.005","7.483","0.004","7.185","0.004","90","","91.24","0.02","90","","669.5","","","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Dipotassium imidobis(sulfonate)","","- H K2 N O6 S2 -","- H K2 N O6 S2 -","- H2 K4 N2 O12 S4 -","2","0.5","","Barbier, P; Parent, Y; Mairesse, G","Crystal structure of K~3~ N (S O~3~)~2~ H~2~ O (I) and fefinement of the crystal structure of K~2~ N H (S O~3~)~2~ (II)","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1308","1312","10.1107/S0567740879006324","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1004043","9.886","0.003","6.617","0.002","10.322","0.003","90","","90","","90","","675.2","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Sodium tetrachloroaluminate","","- Al Cl4 Na -","- Al Cl4 Na -","- Al4 Cl16 Na4 -","4","1","","Mairesse, G; Barbier, P; Wignacourt, J P","Comparison of the crystal structures of alkaline (M = Li, Na, K, Rb, Cs) and Pseudo-alkaline (M = N O, N H~4~) Tetrachloroaluminates, M Al Cl~4~","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1573","1580","10.1107/S0567740879007160","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004044","11.641","0.008","7.116","0.005","9.373","0.007","90","","90","","90","","776.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Caesium tetrachloroaluminate","","- Al Cl4 Cs -","- Al Cl4 Cs -","- Al4 Cl16 Cs4 -","4","0.5","","Mairesse, G; Barbier, P; Wignacourt, J P","Comparison of the crystal structures of alkaline (M = Li, Na, K, Rb, Cs) and Pseudo-alkaline (M = N O, N H~4~) Tetrachloroaluminates, M Al Cl~4~","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1573","1580","10.1107/S0567740879007160","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004045","9.997","0.003","5.477","0.002","18.443","0.01","90","","90","","90","","1009.8","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Indium hydrogenbis(sulfate) tetrahydrate","","- H9 In O12 S2 -","- H8.5 In O12 S2 -","- H34 In4 O48 S8 -","4","0.5","","Tudo, J; Jolibois, B; Laplace, G; Nowogrocki, G","Structure cristalline du sulfate acide d'indium(III) hydrate","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1580","1583","10.1107/S0567740879007172","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004046","23.024","0.01","5.181","0.003","8.9","0.004","90","","90","","90","","1061.7","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Dibarium hexairon(III) oxide","","- Ba2 Fe6 O11 -","- Ba2 Fe6 O11 -","- Ba8 Fe24 O44 -","4","0.5","","Boivin, J C; Thomas, D; Pouillard, G; Perrot, P","Determination de la structure cristalline du ferrite de baryium Ba Fe~6~ O~11~","Journal of Solid State Chemistry","1979","29","","101","108","10.1016/0022-4596(79)90213-5","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004047","7.911","0.002","7.963","0.002","6.966","0.002","90","","115.76","0.02","90","","395.2","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Trilanthanum decaoxodiosmate(II)","","- La3 O10 Os2 -","- La3 O10 Os2 -","- La6 O20 Os4 -","2","0.25","","Abraham, F; Trehoux, J; Thomas, D","L A Os~2~ O~10~, a new compound containing isolated clusters Os~2~ O~10~ with metal-metal bonds","Journal of Solid State Chemistry","1979","29","","73","79","10.1016/0022-4596(79)90210-X","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004048","6.852","0.015","11.984","0.008","6.996","0.006","90","","113.38","0.05","90","","527.3","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium Diaquatetrabromoindate","","- Br4 H4 In K O2 -","- Br4 H4 In K O2 -","- Br8 H8 In2 K2 O4 -","2","0.5","","Wignacourt, J P; Mairesse, G; Barbier, P","Potassium Diaquatetrabromoindate(III)","Acta Crystallographica B (24,1968-38,1982)","1980","36","","669","671","10.1107/S0567740880004062","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1004049","11.994","","5.609","","3.856","","90","","90","","90","","259.4","","","","","","","","","","","","","3","P m m m","-P 2 2","47","","LANTHANUM RUTHENIUM OXIDE (3.5/4/13)","","- La3.5 O13 Ru4 -","- La3.5 O13 Ru4 -","- La3.5 O13 Ru4 -","1","0.125","","Abraham, F; Trehoux, J; Thomas, D","La~3.5~ Ru~4~ O~13~: Un Nouveau Compose a Feuillets de Type Perovskite","Journal of Solid State Chemistry","1980","32","","151","160","10.1016/0022-4596(80)90561-7","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004050","7.359","0.003","12.513","0.006","7.704","0.005","90","","90","","90","","709.4","","","","","","","","","","","","","3","F m m 2","F 2 -2","42","","Tungsten oxide 0.3-hydrate","","- H0.66 O3.33 W -","- H0.833333 O3.33333 W -","- H10 O40 W12 -","12","0.75","","Gerand, B; Nowogrocki, G; Figlarz, M","A new tungsten trioxide hydrate, W O~3~ (H~2~ O)~0.33~: Preparation, characterization and crystallographic study","Journal of Solid State Chemistry","1981","38","","312","320","10.1016/0022-4596(81)90062-1","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004051","8.51","0.001","8.51","0.001","5.814","0.001","90","","90","","90","","421.1","","","","","","","","","","","","","3","P 4/n c c :1","P 4ab 2n -1ab","130","","Bismuth copper oxide","","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Boivin, J C; Trehoux, J; Thomas, D","Etude structurale de Cu Bi~2~ O~4~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1976","99","","193","196","","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004052","9.75","","9.75","","9.75","","23.49","","23.49","","23.49","","129.3","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Bismuth strontium oxide (.8/.2/1.1)","","- Bi0.76 O1.11 Sr0.23 -","- Bi0.765 O1.11133 Sr0.235 -","- Bi2.295 O3.334 Sr0.705 -","3","0.25","","Conflant, P; Boivin, J C; Thomas, D","Etude structurale du conducteur anionique Bi~0.765~ Sr~0.235~ O~1.383~","Journal of Solid State Chemistry","1980","35","","192","199","10.1016/0022-4596(80)90493-4","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004053","8.963","0.007","15.644","0.015","9.131","0.006","90","","108.28","0.05","90","","1215.7","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triammonium indium sulfate","","- H12 In N3 O12 S3 -","- H12 In N3 O12 S3 -","- H48 In4 N12 O48 S12 -","4","1","","Jolibois, B; Laplace, G; Abraham, F; Nowogrocki, G","The Low-Temperature Forms of some M(I)~3~ M(III) (X O~4~)~3~ Compounds: Structure of Triammonium indium(III) Trisulfate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2517","2519","10.1107/S0567740880009338","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004054","8.832","0.005","8.388","0.004","20.765","0.008","90","","91.89","0.05","90","","1537.5","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Lithium tetrakis(chlorosulfato)borate","","- B Cl4 Li O12 S4 -","- B Cl4 Li O12 S4 -","- B4 Cl16 Li4 O48 S16 -","4","1","","Mairesse, G; Drache, M","Lithium Tetrakis(chlorosulfato)borate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2767","2768","10.1107/S0567740880009958","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004055","10.048","0.003","10.048","0.003","10.048","0.003","90","","90","","90","","1014.5","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Hexaammineruthenium(II) chloride","","- Cl2 H18 N6 Ru -","- Cl2 H18 N6 Ru -","- Cl8 H72 N24 Ru4 -","4","0.0208333","","Trehoux, J; Nowogrocki, G; Thomas, D","Determination de la structure du chlorure de ruthenium(II) hexaammine. Longueur de la liaison ruthenium(II) - azote.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1972","274","","1384","1387","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1004057","7.298","0.002","7.298","0.002","3.899","0.002","90","","90","","120","","179.8","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","TUNGSTEN OXIDE","","- O3 W -","- O3 W -","- O9 W3 -","3","0.125","","Gerand, B; Nowogrocki, G; Guenot, J; Figlarz, M","Structural study of a new hexagonal form of tungsten trioxide","Journal of Solid State Chemistry","1979","29","","429","434","10.1016/0022-4596(79)90199-3","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004058","7.758","0.003","17.587","0.009","7.356","0.003","90","","119.91","0.03","90","","870","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Dithallium thallium(III) hydroxide bis(sulfate)","","- H O9 S2 Tl3 -","- H O9 S2 Tl3 -","- H4 O36 S8 Tl12 -","4","1","","Abraham, F; Nowogrocki, G; Jolibois, B; Laplace, G","On Basic Thallium Sulfates: Structure of Tl~2~ Tl OH(SO~4~)~2~","Journal of Solid State Chemistry","1983","47","","1","5","10.1016/0022-4596(83)90033-6","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004059","10.322","0.003","9.886","0.003","6.167","0.002","90","","90","","90","","629.3","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Sodium tetrachloroaluminate","","- Al Cl4 Na -","- Al Cl4 Na -","- Al4 Cl16 Na4 -","4","1","","Wallart, F; Lorriaux-Rubbens, A; Mairesse, G; Barbier, P; Wignacourt, J P","Etude Structurale du Tetrachloroaluminate de Sodium: Comparaison des Spectres de Diffusion Raman de la Famille des M Al Cl~4~ (M= Li, Na, K, Rb, Cs, NO, NH~4~) a l'Etat Solide","Journal of Raman Spectroscopy","1980","9","","55","61","10.1002/jrs.1250090113","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004060","10.411","0.008","7.055","0.003","9.461","0.005","90","","90","","90","","694.9","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Nitrosyl tetrachloroaluminate","","- Al Cl4 N O -","- Al Cl4 N O -","- Al4 Cl16 N4 O4 -","4","0.5","","Barbier, P; Mairesse, G; Wignacourt, J P; Baert, F","Nitrosyl tetrachloroaluminate N O Al Cl~4~","Crystal Structure Communications","1976","5","","633","637","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004061","8.981","0.003","8.981","0.003","8.981","0.003","90","","90","","90","","724.4","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","LANTHANUM RUTHENIUM OXIDE (4/6/19)","","- La4 O19 Ru6 -","- La4 O19 Ru6 -","- La8 O38 Ru12 -","2","0.0833333","","Abraham, F; Trehoux, J; Thomas, D","La liaison metal-metal dans les clusters M~12~ O~36~: I - preparation et etudes structurale des phases La~4~ M~6~ O~19~ (M = Ru, Os)","Materials Research Bulletin","1977","12","","43","52","10.1016/0025-5408(77)90087-3","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004062","9.05","0.002","9.05","0.002","9.05","0.002","90","","90","","90","","741.2","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","LANTHANUM OSMIUM OXIDE (4/6/19)","","- La4 O19 Os6 -","- La4 O19 Os6 -","- La8 O38 Os12 -","2","0.0833333","","Abraham, F; Trehoux, J; Thomas, D","La liaison metal-metal dans les clusters M~12~ O~36~: I - preparation et etudes structurale des phases La~4~ M~6~ O~19~ (M = Ru, Os)","Materials Research Bulletin","1977","12","","43","52","10.1016/0025-5408(77)90087-3","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004063","9.466","0.002","9.466","0.002","9.466","0.002","90","","90","","90","","848.2","","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","LANTHANUM RUTHENIUM OXIDE (3/3/11)","","- La3 O11 Ru3 -","- La3 O11 Ru3 -","- La12 O44 Ru12 -","4","0.166667","","Abraham, F; Trehoux, J; Thomas, D","La liaison metal-metal dans les clusters M~12~ O~36~: II-Preparation et etude structurelle de la phase La~3~ Ru~3~ O~11~","Materials Research Bulletin","1978","13","","805","810","10.1016/0025-5408(78)90043-0","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004064","8.622","0.004","8.622","0.004","5.907","0.003","90","","90","","90","","439.1","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Palladium dibismuth oxide","","- Bi2 O4 Pd -","- Bi2 O4 Pd -","- Bi8 O16 Pd4 -","4","0.25","","Conflant, P.; Boivin, J. C.; Thomas, D.","Etude de la serie isostructurale M(II)Bi~2~O~4~: PbBi~2~O~4~","Revue de Chimie Minerale","1977","14","","249","255","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","200126","2020-10-21","18:00:00",""
"1004065","11.022","0.006","7.072","0.003","9.257","0.005","90","","90","","90","","721.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","AMMONIUM TETRACHLOROALUMINATE","","- Al Cl4 H4 N -","- Al Cl4 H4 N -","- Al4 Cl16 H16 N4 -","4","0.5","","Mairesse, G; Barbier, P; Wignacourt, J P; Rubbens, A; Wallart, F","X-ray, Raman, infrared, and nuclear magnetic resonance studies of the crystal structure of ammonium tetrachloroaluminate, N H~4~ Al Cl~4~","Canadian Journal of Chemistry","1978","56","","764","771","10.1139/v78-127","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1004066","9.499","0.004","9.499","0.004","9.499","0.004","90","","90","","90","","857.1","","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","LANTHANUM IRIDIUM OXIDE (3/3/11)","","- Ir3 La3 O11 -","- Ir3 La3 O11 -","- Ir12 La12 O44 -","4","0.166667","","Abraham, F; Trehoux, J; Thomas, D","Preparation et etude structurale d'un nouveau compose contenant le cluster M~12~ O~36~ * La~3~ Ir~3~ O~11~","Journal of the Less-Common Metals","1979","63","","P57","P63","10.1016/0022-5088(79)90255-8","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004067","14.859","","7.55","","5.487","","90","","90","","90","","615.6","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","NEODYMIUM TETRAOXOOSMATE(V)","","- Nd O4 Os -","- Nd O4 Os -","- Nd8 O32 Os8 -","8","2","","Abraham, F; Trehoux, J; Thomas, D","Crystal structure of Nd Os O~4~ a new Ba Zn F~4~ -type compound","Journal of Inorganic and Nuclear Chemistry","1980","42","","1627","1630","10.1016/0022-1902(80)80327-7","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004068","8.957","0.003","8.957","0.003","8.957","0.003","90","","90","","90","","718.6","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Neodymium osmium oxide (4/6/19)","","- Nd4 O19 Os6 -","- Nd4 O19 Os6 -","- Nd8 O38 Os12 -","2","0.0833333","","Abraham, F; Trehoux, J; Thomas, D","Caracterisation et structure d'un nouvel oxyde de neodyme et d'osmium derive du type K Sb O~3~-cubique: Nd~4~ Os~6~ O~19~","Journal of the Less-Common Metals","1981","77","","P23","P30","10.1016/0022-5088(81)90182-X","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004069","10.322","0.003","9.886","0.003","6.167","0.002","90","","90","","90","","629.3","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","SODIUM TETRACHLOROALUMINATE","","- Al Cl4 Na -","- Al Cl4 Na -","- Al4 Cl16 Na4 -","4","1","","Wallart, F; Lorriaux-Rubbens, A; Mairesse, G; Barbier, P; Wignacourt, J P","Etude structurale du tetrachloroaluminate de sodium. Comparaison des spectres de diffusion raman de la famille des M Al Cl~4~ (M=Li, Na, K, Rb, Cs, No, Nh~4~,) a l'etat solide","Journal of Raman Spectroscopy","1980","9","","55","61","10.1002/jrs.1250090113","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004070","13.905","0.008","9.952","0.005","7.185","0.005","90","","90","","90","","994.3","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","DIPOTASSIUM PENTACHLOROAQUAINDATE","","- Cl5 H2 In K2 O -","- Cl5 H2 In K2 O -","- Cl20 H8 In4 K8 O4 -","4","0.5","","Wignacourt, J P; Lorriaux-Rubbens, A; Barbier, P; Mairesse, G; Wallart, F","Structural stdudy of K~2~ In Cl~5~, H~2~ O by X-Ray, Raman and IR spectroscopies","Spectrochimica Acta A, Molecular Spectroscopy","1980","36","","403","411","10.1016/0584-8539(80)80153-X","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004071","3.971","0.001","3.971","0.001","28.41","0.01","90","","90","","120","","388","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","BISMUTH STRONTIUM OXIDE (1.7/0.5/3)","","- Bi1.72 O3 Sr0.53 -","- Bi1.72125 O3 Sr0.5295 -","- Bi6.885 O12 Sr2.118 -","4","0.111111","","Boivin, J C; Thomas, D J","Structural investigations on bismuth-based oxides","Solid State Ionics","1981","3","","457","462","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004072","7.891","0.012","10.39","0.005","10.39","0.005","90","","90","","90","","851.9","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","Potassium tetrabromoindate","","- Br4 In K -","- Br4 In K -","- Br16 In4 K4 -","4","0.5","","Wignacourt, J P; Mairesse, G; Abraham, F","Potassium Tetrabromoindate(III), K (In Br~4~)","Acta Crystallographica C (39,1983-)","1984","40","","2006","2007","","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004073","4.281","0.001","4.281","0.001","4.281","0.001","90","","90","","90","","78.5","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Bismuth cadmium oxide (.79/.21/1.395)","","- Bi0.79 Cd0.21 O1.395 -","- Bi0.79 Cd0.21 O1.38 -","- Bi1.58 Cd0.42 O2.76 -","2","0.0208333","","Graia, T; Conflant, P; Nowogrocki, G; Boivin, J C; Thomas, D","Stability range and crystal structure of the oxygen-deficient b.c.c. solid solution Bi(~1-x~) Cd~x~ O(~1.5-x/2~) (0.11<x<.25)","Journal of Solid State Chemistry","1986","63","","160","165","10.1016/0022-4596(86)90166-0","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004074","4.005","0.001","4.005","0.001","28.54","0.01","90","","90","","120","","396.5","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth barium oxide (.844/.156/1.422)","","- Ba0.156 Bi0.844 O1.422 -","- Ba0.156 Bi0.844 O1.422 -","- Ba0.468 Bi2.532 O4.266 -","3","0.0833333","","Conflant, P; Boivin, J C; Nowogrocki, G; Thomas, D","Etude structurale par diffractometrie X a haute temperature du conducteur anionique Bi~.844~ Ba~.156~ O~1.422~","Solid State Ionics","1983","9","","925","928","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004075","4.023","0.001","4.023","0.001","28.66","0.01","90","","90","","120","","401.7","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth barium oxide (.844/.156/1.422)","","- Ba0.156 Bi0.844 O1.422 -","- Ba0.156 Bi0.844 O1.422 -","- Ba0.468 Bi2.532 O4.266 -","3","0.0833333","","Conflant, P; Boivin, J C; Nowogrocki, G; Thomas, D","Etude structurale par diffractometrie x a haute temperature du conducteur anionique Bi~.844~ Ba~.156~ O~1.422~","Solid State Ionics","1983","9","","925","928","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004076","4.025","0.001","4.025","0.001","28.71","0.01","90","","90","","120","","402.8","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth barium oxide (.844/.156/1.422)","","- Ba0.156 Bi0.844 O1.422 -","- Ba0.156 Bi0.844 O1.422 -","- Ba0.468 Bi2.532 O4.266 -","3","0.0833333","","Conflant, P; Boivin, J C; Nowogrocki, G; Thomas, D","Etude structurale par diffractometrie x a haute temperature du conducteur anionique Bi~.844~ Ba~.156~ O~1.422~","Solid State Ionics","1983","9","","925","928","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004077","4.032","0.001","4.032","0.001","28.76","0.01","90","","90","","120","","404.9","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth barium oxide (.844/.156/1.422)","","- Ba0.156 Bi0.844 O1.422 -","- Ba0.156 Bi0.844 O1.422 -","- Ba0.468 Bi2.532 O4.266 -","3","0.0833333","","Conflant, P; Boivin, J C; Nowogrocki, G; Thomas, D","Etude structurale par diffractometrie x a haute temperature du conducteur anionique Bi~.844~ Ba~.156~ O~1.422~","Solid State Ionics","1983","9","","925","928","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004078","4.054","0.001","4.054","0.001","28.88","0.01","90","","90","","120","","411.1","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth barium oxide (.844/.156/1.422)","","- Ba0.156 Bi0.844 O1.422 -","- Ba0.156 Bi0.844 O1.422 -","- Ba0.468 Bi2.532 O4.266 -","3","0.0833333","","Conflant, P; Boivin, J C; Nowogrocki, G; Thomas, D","Etude structurale par diffractometrie x a haute temperature du conducteur anionique Bi~.844~ Ba~.156~ O~1.422~","Solid State Ionics","1983","9","","925","928","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004079","4.057","0.001","4.057","0.001","28.9","0.01","90","","90","","120","","411.9","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth barium oxide (.844/.156/1.422)","","- Ba0.156 Bi0.844 O1.422 -","- Ba0.156 Bi0.844 O1.422 -","- Ba0.468 Bi2.532 O4.266 -","3","0.0833333","","Conflant, P; Boivin, J C; Nowogrocki, G; Thomas, D","Etude structurale par diffractometrie x a haute temperature du conducteur anionique Bi~.844~ Ba~.156~ O~1.422~","Solid State Ionics","1983","9","","925","928","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004080","9.866","0.004","9.866","0.004","3.131","0.002","90","","90","","90","","304.8","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Potassium Ruthenium oxide (2/8/16)","","- K2 O16 Ru8 -","- K2 O16 Ru8 -","- K2 O16 Ru8 -","1","0.0625","","Djafri, F; Canonne, J; Abraham, F; Thomas, D","Insertion de lithium dans la phase de structure Hollandite: K~x~ Ru~8~ O~16~ (x=1.5)","Journal of the Less-Common Metals","1985","109","","323","329","10.1016/0022-5088(85)90063-3","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004081","13.957","0.004","13.858","0.004","7.095","0.002","90","","112.8","0.03","90","","1265.1","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tripotassium dibismuth vanadate","","- Bi2 K3 O12 V3 -","- Bi2 K3 O12 V3 -","- Bi8 K12 O48 V12 -","4","0.5","","Debreuille-Gresse, M F; Abraham, F","Crystal structure and electrical properties of K~3~ Bi~2~ (V O~4~)~3~, a new potassium bismuth vanadate","Journal of Solid State Chemistry","1987","71","","466","471","10.1016/0022-4596(87)90256-8","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004082","27.017","0.017","8.252","0.008","13.121","0.01","90","","99.7","0.11","90","","2883.4","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Tricaesium bismuth hexachloride","","- Bi Cl6 Cs3 -","- Bi Cl6 Cs3 -","- Bi8 Cl48 Cs24 -","8","1","","Benachenhou, F; Mairesse, G; Nowogrocki, G; Thomas, D","Structural studies of Cs-K-Bi mixed chlorides relation to the crystal structures of A~2~ B M X~6~, A~3~ M X~6~ and A~2~ M X~6~","Journal of Solid State Chemistry","1986","65","","13","26","10.1016/0022-4596(86)90085-X","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004083","25.653","0.013","7.799","0.005","12.874","0.009","90","","99.24","0.08","90","","2542.3","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Caesium dipotassium bismuth hexachloride","","- Bi Cl6 Cs K2 -","- Bi Cl6 Cs K2 -","- Bi8 Cl48 Cs8 K16 -","8","1","","Benachenhou, F; Mairesse, G; Nowogrocki, G; Thomas, D","Structural studies of Cs-K-Bi mixed chlorides relation to the crystal structures of A~2~ B M X~6~, A~3~ M X~6~ and A~2~ M X~6~","Journal of Solid State Chemistry","1986","65","","13","26","10.1016/0022-4596(86)90085-X","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004084","9.115","0.004","7.941","0.004","6.306","0.004","90","","90","","90","","456.4","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Dilead platinum oxide","","- O4 Pb2 Pt -","- O4 Pb2 Pt -","- O16 Pb8 Pt4 -","4","0.5","","Bettahar, N; Conflant, P; Abraham, F; Thomas, D","Pb~2~ Pt O~4~. A new platinum-lead oxide with edge-shared Pt O~6~ octahedral chains","Journal of Solid State Chemistry","1987","67","","85","90","10.1016/0022-4596(87)90342-2","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004085","10.9431","","10.9431","","10.9431","","90","","90","","90","","1310.5","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Potassium bismuth(III) bismuth(V) oxide dideuteriohydrate (1.17/.51/1.79/5.87/1.11) - phase II","","- Bi2.33 D K1.17 O6.5 -","- Bi2.33 D0.96 K1.17 O6.59 -","- Bi18.64 D7.68 K9.36 O52.72 -","8","0.0416667","","Trehoux, J; Abraham, F; Thomas, D; Doremieuz-Morin, C; Arribart, H","Neutron Diffraction and ^1^H Rigid Lattice Wide-Line NMR Studies of Powder (K, Bi^III^, Bi^V^) Pyrochlores","Journal of Solid State Chemistry","1988","73","","80","91","10.1016/0022-4596(88)90057-6","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004086","4.101","0.004","4.101","0.004","6.066","0.004","90","","90","","120","","88.4","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Bismuth lead oxyfluoride","","- Bi F O2 Pb -","- Bi F1.002 O1.998 Pb -","- Bi F1.002 O1.998 Pb -","1","0.0833333","","Follet Houttemane, C; Canonne, J; Boivin, J C; Champarnaud Mesjard, J C; Mercurio, D; Frit, B","Electrical Properties and High Temperature Crystal Structure of the Bismuth Lead Oxyfluoride: Bi Pb O~2~ F","Solid State Ionics","1988","28","","458","464","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004087","4.04","0.002","4.04","0.002","27.557","0.007","90","","90","","120","","389.5","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth lanthanum oxide (0.7/0.3/1.38)","","- Bi0.7 La0.3 O1.38 -","- Bi0.7 La0.3 O1.38 -","- Bi6.3 La2.7 O12.42 -","9","0.25","","Mercurio, D; El Farissi, M; Champarnaud Mesjard, J C; Frit, B; Conflant, P; Roult, G","Etude structurale par diffraction X sur monocristal et diffraction neutronique sur poudre de l'oxyde mixte Bi~.7~ La~.3~ O~1.5~","Journal of Solid State Chemistry","1989","80","","133","143","10.1016/0022-4596(89)90040-6","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004088","4.04","0.002","4.04","0.002","27.557","0.007","90","","90","","120","","389.5","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth lanthanum oxide (0.7/0.3/1.5)","","- Bi0.7 La0.3 O1.5 -","- Bi0.7 La0.3 O1.51333 -","- Bi6.3 La2.7 O13.62 -","9","0.25","","Mercurio, D; El Farissi, M; Champarnaud Mesjard, J C; Frit, B; Conflant, P; Roult, G","Etude structurale par diffraction X sur monocristal et diffraction neutronique sur poudre de l'oxyde mixte Bi~.7~ La~.3~ O~1.5~","Journal of Solid State Chemistry","1989","80","","133","143","10.1016/0022-4596(89)90040-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004089","10.176","","10.176","","10.176","","90","","90","","90","","1053.7","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Rubidium tungsten oxide (1/1.6/6) - III","","- O6 Rb W1.6 -","- O6 Rb W1.6 -","- O48 Rb8 W12.8 -","8","0.0416667","","Driouiche, A; Abraham, F; Touboul, M; Figlarz, M","Synthesis and characterization of cubic pyrochlore-type rubidium and caesium tungstates with a lacunar host lattice","Materials Research Bulletin","1991","26","","901","908","10.1016/0025-5408(91)90170-Q","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004090","10.213","","10.213","","10.213","","90","","90","","90","","1065.3","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Caesium tungsten oxide (1/1.6/6) - III","","- Cs O6 W1.6 -","- Cs O6 W1.6 -","- Cs8 O48 W12.8 -","8","0.0416667","","Driouiche, A; Abraham, F; Touboul, M; Figlarz, M","Synthesis and characterization of cubic pyrochlore-type rubidium and caesium tungstates with a lacunar host lattice","Materials Research Bulletin","1991","26","","901","908","10.1016/0025-5408(91)90170-Q","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004091","19.86","0.01","5.353","0.006","13.96","0.03","90","","110.64","0.07","90","","1388.8","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trisodium bismuth bis(phosphate) - $-alpha","","- Bi Na3 O8 P2 -","- Bi Na3 O8 P2 -","- Bi8 Na24 O64 P16 -","8","2","","Mairesse, G; Drache, M; Nowogrocki, G; Abraham, F","Order-disorder transition in Na~3~Bi(PO~4~)~2~","Phase Transition","1990","27","","91","105","10.1080/01411599008206903","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004092","18.71","0.03","7.18","0.02","5.429","0.007","90","","90","7","90","","729.3","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Trisodium bismuth bis(phosphate) - $-beta","","- Bi Na3 O8 P2 -","- Bi Na3 O8 P2 -","- Bi4 Na12 O32 P8 -","4","0.5","","Mairesse, G; Drache, M; Nowogrocki, G; Abraham, F","Order-disorder transition in Na~3~Bi(PO~4~)~2~","Phase Transition","1990","27","","91","105","10.1080/01411599008206903","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004093","19.469","0.004","12.53","0.004","12.07","0.004","90","","90","","90","","2944.4","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Ammonium hexaperthiodimolybdate(V)","","- H8 Mo2 N2 S12 -","- H8 Mo2 N2 S12 -","- H48 Mo12 N12 S72 -","6","1.5","","Wignacourt, J P; Drache, M; Swinnea, J S; Steinfink, H; Lorriaux-Rubbens, A; Wallart, F","Crystal structure and Raman Scattering Investigation of Anhydrous (NH~4~)~2~(Mo~2~(S~2~)~6~)","Canadian Journal of Appl. Spectrosc.","1992","37","2","49","54","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004094","10.169","0.001","10.169","0.002","10.169","0.002","90","","90","","90","","1051.6","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Bismuth(III) bismuth(V) phosphorus oxide (9.9/1.2/.9/20)","","- Bi11.095 O20 P0.853 -","- Bi11.0952 O20 P0.853 -","- Bi22.1904 O40 P1.706 -","2","0.0833333","","Wignacourt, J P; Drache, M; Conflant, P; Boivin, J C","Nouvelles phases du systeme Bi~2~O~3~-BiPO~4~ . II.Structure et proprietes electriques d'une solution solide de type sillenite","Journal de Chimie Physique et de Physico-Chimie Biologique","1991","88","","1939","1949","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004095","16.563","0.007","16.563","0.007","18.563","0.006","90","","90","","90","","5092.4","","","","","","","","","","","","","5","I 4 m m","I 4 -2","107","","Potassium hexabromoindate sesquihydrate","","- Br6 H3 In K3 O1.5 -","- Br6 H3 In K3 O1.5 -","- Br84 H42 In14 K42 O21 -","14","0.875","","Lornaux-Rubbens, A; Wignacourt, J P; Drache, M; Wallart, F","Investigations structurales des composes K~3-x~(InX~6- x~(H~2~O)~x~,nH~2~O). I. Etude cristallographique (X=Br); comparaison des distances indium-ligand (X=Cl,Br)","Journal de Chimie Physique et de Physico-Chimie Biologique","1991","88","","2041","2055","","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004096","14.509","0.006","10.369","0.007","7.59","0.003","90","","90","","90","","1141.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium pentabromoindate hydrate","","- Br5 H2 In K2 O -","- Br5 H2 In K2 O -","- Br20 H8 In4 K8 O4 -","4","0.5","","Lornaux-Rubbens, A; Wignacourt, J P; Drache, M; Wallart, F","Investigations structurales des composes K~3-x~(InX~6- x~(H~2~O)~x~,nH~2~O). I. Etude cristallographique (X=Br); comparaison des distances indium-ligand (X=Cl,Br)","Journal de Chimie Physique et de Physico-Chimie Biologique","1991","88","","2041","2055","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1004097","3.965","0.003","3.965","0.003","15.46","0.01","90","","90","","90","","243.1","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Bismuth lead vanadium oxide (1.9/0.2/0.9/5.3)","","- Bi1.9 O5.3 Pb0.2 V0.9 -","- Bi1.9004 O5.3 Pb0.2004 V0.9 -","- Bi3.8008 O10.6 Pb0.4008 V1.8 -","2","0.0625","","Vannier, R N; Mairesse, G; Nowogrocki, G; Abraham, F; Boivin, J C","Electrical and structural investigations on a new bismuth lead vanadium oxide solid electrolyte","Solid State Ionics","1992","53","","713","722","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004098","15.723","0.009","15.723","0.009","18.069","0.018","90","","90","","90","","4466.9","","","","","","","","","","","","","5","I 4 m m","I 4 -2","107","","Potassium hexachloroindate hydrate","","- Cl6 H2 In K3 O -","- Cl6 H2 In K3 O -","- Cl84 H28 In14 K42 O14 -","14","0.875","","Wignacourt, J - P; Nowogrocki, G; Mairesse, G; Barbier, P","Evidence for ionic isomerism in complex salts. X-ray evidence in K~3~InCl~6~.H~2~O","Reviews in Inorganic Chemistry","1980","2","","207","217","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004099","4.3223","0.0005","4.3223","0.0005","4.3223","0.0005","90","","90","","90","","80.8","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Barium potassium bismuth trioxide (0.87/0.13/1/1)","","- Ba0.87 Bi K0.13 O3 -","- Ba0.87 Bi K0.13 O3 -","- Ba0.87 Bi K0.13 O3 -","1","0.0208333","","Wignacourt, J P; Swinnea, J S; Steinfink, H; Goodenough, J B","Oxygen atom thermal vibration anisotropy in Ba~0.87~ K~0.13~ Bi O~3~.","Applied Physics Letters","1988","53","","1753","1755","10.1063/1.100430","","","","","","0.0089","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004100","5.468","0.001","6.667","0.001","9.156","0.001","110.58","0.01","100.87","0.01","98.01","0.01","299.1","","","","","","","","","","","","","4","P -1","-P 1","2","","Strontium dinickel phosphate","","- Ni2 O8 P2 Sr -","- Ni2 O8 P2 Sr -","- Ni4 O16 P4 Sr2 -","2","1","","Elbali, B; Boukhari, A; Aride, J; Abraham, F","The crystal structure of SrNi~2~(PO4/4)~2~","Journal of Solid State Chemistry","1993","104","","453","459","10.1006/jssc.1993.1180","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004101","3.97","","3.97","","28.53999","","90","","90","","120","","389.6","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth strontium oxide (0.75/0.25/1.4) - $-beta~2~","","- Bi0.75 O1.36 Sr0.25 -","- Bi0.75 O1.35567 Sr0.25 -","- Bi6.75 O12.201 Sr2.25 -","9","0.25","","Mercurio, D; Champarnaud-Mesjard, J C; Frit, B; Conflant, P; Boivin, J C; Vogt, T","Thermal evolution of the crystal structure of the rhombohedral Bi~0.75~Sr~0.25~O~1.375~ phase: a single crystal neutron diffraction study","Journal of Solid State Chemistry","1994","112","","1","8","10.1006/jssc.1994.1255","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004102","3.983","","3.983","","28.68999","","90","","90","","120","","394.2","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth strontium oxide (0.75/0.25/1.4) - $-beta~2~","","- Bi0.75 O1.36 Sr0.25 -","- Bi0.75 O1.35553 Sr0.25 -","- Bi6.75 O12.1998 Sr2.25 -","9","0.25","","Mercurio, D; Champarnaud-Mesjard, J C; Frit, B; Conflant, P; Boivin, J C; Vogt, T","Thermal evolution of the crystal structure of the rhombohedral Bi~0.75~Sr~0.25~O~1.375~ phase: a single crystal neutron diffraction study","Journal of Solid State Chemistry","1994","112","","1","8","10.1006/jssc.1994.1255","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004103","4.011","","4.011","","29.00999","","90","","90","","120","","404.2","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth strontium oxide (0.75/0.25/1.4) - $-beta~1~","","- Bi0.75 O1.37 Sr0.25 -","- Bi0.75 O1.3668 Sr0.25 -","- Bi6.75 O12.3012 Sr2.25 -","9","0.25","","Mercurio, D; Champarnaud-Mesjard, J C; Frit, B; Conflant, P; Boivin, J C; Vogt, T","Thermal evolution of the crystal structure of the rhombohedral Bi~0.75~Sr~0.25~O~1.375~ phase: a single crystal neutron diffraction study","Journal of Solid State Chemistry","1994","112","","1","8","10.1006/jssc.1994.1255","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004104","9.93","0.004","9.93","0.004","2.914","0.001","90","","90","","90","","287.3","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Bismuth vanadium oxide (1.7/8/16)","","- Bi1.62 O16 V8 -","- Bi1.624 O16 V8 -","- Bi1.624 O16 V8 -","1","0.0625","","Abraham, F; Mentre, O","Bi~1.7~V~8~O~16~ The first Bi-hollandite-type compound","Journal of Solid State Chemistry","1994","109","","127","133","10.1006/jssc.1994.1082","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004105","11.776","0.001","5.173","0.0006","7.7903","0.0006","90","","90","","90","","474.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Bismuth dicopper phosphate(V) dioxide","","- Bi Cu2 O6 P -","- Bi Cu2 O6 P -","- Bi4 Cu8 O24 P4 -","4","0.5","","Abraham, F; Ketatni, M; Mairesse, G; Mernari, B","Crystal structure of a new bismuth copper oxyphosphate: Bi Cu2 P O6","European Journal of Solid State Inorganic Chemistry","1994","31","","313","323","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004106","5.312","0.001","8.789","0.002","16.06699","0.003","90","","90.72","0.01","90","","750.1","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dibarium nickel bis(phosphate(V))","","- Ba2 Ni O8 P2 -","- Ba2 Ni O8 P2 -","- Ba8 Ni4 O32 P8 -","4","1","","Elbali, B; Boukhari, A; Aride, J; Belaiche, M; Abraham, F; Drillon, M","Crystal structure and magnetic properties of Ba2 Ni (P O4)2","European Journal of Solid State Inorganic Chemistry","1994","31","","61","73","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004107","5.6492","0.0001","13.1841","0.0002","7.2844","0.0001","90","","119.745","0.001","90","","471.1","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dioxouranium(VI) divanadate","","- O11 U2 V2 -","- O11 U2 V2 -","- O22 U4 V4 -","2","0.5","","Tancret, N; Obbade, S; Abraham, F","Ab initio structure determination of uranyl divanadate (U O2)2 V2 O7 from powder X-ray diffraction data","European Journal of Solid State Inorganic Chemistry","1995","32","","195","207","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004108","7.1664","0.0008","11.206","0.001","5.1732","0.0006","90","","107.28","0.01","90","","396.7","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bismuth tecto-pentaoxoniccolophosphate(V)","","- Bi Ni O5 P -","- Bi Ni O5 P -","- Bi4 Ni4 O20 P4 -","4","1","","Abraham, F; Ketatni, M","Crystal structure of a new bismuth nickel oxophosphate: Bi Ni O P O4","European Journal of Solid State Inorganic Chemistry","1995","32","","429","437","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004109","9.477","0.001","9.477","0.001","7.825","0.004","90","","90","","120","","608.6","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Tetrastrontium nonaoxotriniccolate","","- Ni3 O9 Sr4 -","- Ni3 O9 Sr4 -","- Ni9 O27 Sr12 -","3","0.5","","Abraham, F; Minaud, S; Renard, C","Preliminary crystal structure of mixed-valency Sr4 Ni3 O9, the actual formula of the so-called Sr5 Ni4 O11","Journal of Materials Chemistry","1994","4","11","1763","1764","10.1039/jm9940401763","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004110","13.139","0.004","10.413","0.006","9.239","0.006","90","","90","","90","","1264","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dipotassium tribismuth oxide tris(phosphate)","","- Bi3 K2 O13 P3 -","- Bi3 K2 O13 P3 -","- Bi12 K8 O52 P12 -","4","0.5","","Debreuille-Gresse, M F; Drache, M; Abraham, F","The crystal structure, phase transition, and dielectric properties of K2 Bi3 (P O4)3 O, a new oxyphosphate","Journal of Solid State Chemistry","1986","62","","351","359","10.1016/0022-4596(86)90250-1","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004111","13.302","0.004","10.506","0.007","9.24","0.005","90","","90","","90","","1291.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dipotassium tribismuth oxide tris(phosphate)","","- Bi3 K2 O13 P3 -","- Bi3 K2 O13 P3 -","- Bi12 K8 O52 P12 -","4","0.5","","Debreuille-Gresse, M F; Drache, M; Abraham, F","The crystal structure, phase transition, and dielectric properties of K2 Bi3 (P O4)3 O, a new oxyphosphate","Journal of Solid State Chemistry","1986","62","","351","359","10.1016/0022-4596(86)90250-1","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004112","8.823","0.003","13.494","0.003","5.108","0.002","90","","92.77","0.03","90","","607.4","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Disodium copper diphosphate - $-alpha","","- Cu Na2 O7 P2 -","- Cu Na2 O7 P2 -","- Cu4 Na8 O28 P8 -","4","1","","Erragh, F; Boukhari, A; Abraham, F; Elouadi, B","The crystal structure of $-alpha- and $-beta- Na2 Cu P2 O7","Journal of Solid State Chemistry","1995","120","","23","31","10.1006/jssc.1995.1370","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004113","14.728","0.003","5.698","0.001","8.067","0.001","90","","115.15","0.01","90","","612.8","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Disodium copper diphosphate - $-beta","","- Cu Na2 O7 P2 -","- Cu Na2 O7 P2 -","- Cu4 Na8 O28 P8 -","4","0.5","","Erragh, F; Boukhari, A; Abraham, F; Elouadi, B","The crystal structure of $-alpha- and $-beta- Na2 Cu P2 O7","Journal of Solid State Chemistry","1995","120","","23","31","10.1006/jssc.1995.1370","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004114","5.8952","0.0002","8.3541","0.0002","10.4142","0.0003","90","","100.56","0.01","90","","504.2","","","","","","","","","","","","artificial","4","P 1 21/c 1","-P 2ybc","14","","Disilver bis(dioxouranium(VI)) divanadate","Carnotite (Ag)","- Ag2 O12 U2 V2 -","- Ag2 O12 U2 V2 -","- Ag4 O24 U4 V4 -","2","0.5","","Abraham, F; Dion, C; Tancret, N; Saadi, M","Ag2 (U O2)2 V2 O8 : a new compound with the carnotite structure. Synthesis, structure and properties","Advanced Materials Research","1994","1","","511","520","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1004115","5.754","0.001","5.754","0.001","13.267","0.003","90","","90","","120","","380.4","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Lead vanadium oxide (1/6/11)","","- O11 Pb V6 -","- O11 Pb V6 -","- O22 Pb2 V12 -","2","0.166667","","Mentre, O; Abraham, F","New mixed valence compounds in the Pb - V - O system synthesis and crystal structure of hollandite-related Pb1.32 V8.35 O16.7 and R-type hexagonal ferrite Pb V6 O11","Journal of Solid State Chemistry","1996","125","","91","101","10.1006/jssc.1996.0269","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004116","9.302","0.001","5.969","0.001","8.118","0.001","90","","113.96","0.01","90","","411.9","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Dibarium oxovanadium(IV) bis(vanadate(V))","","- Ba2 O9 V3 -","- Ba2 O9 V3 -","- Ba4 O18 V6 -","2","0.5","","Dhaussy, A-C; Abraham, F; Mentre, O; Steinfink, H","Crystal structure and characterization of Ba2 V3 O9: a vanadyl(IV) vanadate containing rutile-like chains of V O6 octahedra","Journal of Solid State Chemistry","1996","126","","328","335","10.1006/jssc.1996.0345","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004117","7.28296","0.00009","7.28296","0.00009","6.43407","0.0001","90","","90","","90","","341.3","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Europium bismuth vanadate (0.28/0.72/1)","","- Bi0.72 Eu0.28 O4 V -","- Bi0.72 Eu0.28 O4 V -","- Bi2.88 Eu1.12 O16 V4 -","4","0.25","","Blin, J L; Lorriaux-Rubbens, A; Wallart, F; Wignacourt, J P","Synthesis and structural investigation of the Eu1-x Bix V O4 scheelite phase: X-ray diffraction, Raman scattering and Eu(3+) luminescence","Journal of Materials Chemistry","1996","6","3","385","389","10.1039/jm9960600385","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004118","11.633","0.007","5.795","0.003","24.39","0.02","90","","101.35","0.05","90","","1612.1","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Bismuth molybdenum vanadium oxide (26/6.14/3.86/68)","","- Bi26 Mo6.14 O68 V3.86 -","- Bi26 Mo6.14 O68 V3.86 -","- Bi26 Mo6.14 O68 V3.86 -","1","0.25","","Vannier, R N; Mairesse, G; Abraham, F; Nowogorocki, G","Bi26 Mo10 Od solid solution type in the Bi2 O3 - Mo O3 - V2 O5 ternary diagram","Journal of Solid State Chemistry","1996","122","","394","406","10.1006/jssc.1996.0133","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004119","10.108","0.003","9.887","0.003","2.903","0.001","90","","90","","90.84","","290.1","","","","","","","","","","","","","3","I 1 1 2/m","-I 2","12","","Lead vanadium oxide (1.32/8.35/16)","","- O16 Pb1.32 V8.35 -","- O16 Pb1.32 V8.348 -","- O16 Pb1.32 V8.348 -","1","0.125","","Mentre, O; Abraham, F","New mixed valence compounds in the Pb - V - O system: synthesis and crystal structure of hollandite-related Pb1.32 V8.35 O16.7 and R-type hexagonal ferrite Pb V6 O11","Journal of Solid State Chemistry","1996","125","","91","101","10.1006/jssc.1996.0269","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004120","3.9214","0.0001","3.9214","0.0001","15.5709","0.0003","90","","90","","90","","239.4","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Bismuth vanadium iron oxide (4/1.5/0.5/10.5)","","- Bi4 Fe0.5 O10.5 V1.5 -","- Bi4 Fe0.5 O10.5008 V1.5 -","- Bi4 Fe0.5 O10.5008 V1.5 -","1","0.03125","","Joubert, O; Ganne, M; Vannier, R N; Mairesse, G","Solid phase synthesis and characterization of new BIMEVOX series: Bi4 V2-x Mx O11-x (M = Cr(III), Fe(III))","Solid State Ionics","1996","83","","199","207","10.1016/0167-2738(96)00009-4","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004121","8.836","0.003","10.865","0.006","11.052","0.005","65.18","0.04","74.12","0.04","71.57","0.03","901.3","","","","","","","","","","","","","5","P -1","-P 1","2","","Diammonium bis(hexaaquacobalt) decavanadate(V) tetrahydrate","","- Co2 H40 N2 O44 V10 -","- Co2 H40 N2 O44 V10 -","- Co2 H40 N2 O44 V10 -","1","0.5","","Baudrin, E; Denis, S; Touboul, M; Nowogorocki, G","Synthesis, crystal structure and thermal properties of (N H4)2 Co2 V10 O28 . 16(H2 O)","European Journal of Solid State Inorganic Chemistry","1997","34","","1011","1026","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1004122","11.0488","0.0001","11.0488","0.0001","11.0488","0.0001","90","","90","","90","","1348.8","","","","","","","","","","","","","3","I 21 3","I 2b 2c 3","199","","Bismuth gadolinium oxide (0.65/0.35/1.5)","","- Bi0.65 Gd0.35 O1.5 -","- Bi0.64975 Gd0.35025 O1.5 -","- Bi20.792 Gd11.208 O48 -","32","1.33333","","Drache, M; Conflant, P; Obbade, S; Wignacourt, J P; Watanabe, A","Stability, thermal behaviour, and crystal structure of ion ordered Bi1- x Lnx O1.5 phases (Ln = Sm - Dy)","Journal of Solid State Chemistry","1997","129","","98","104","10.1006/jssc.1996.7236","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004123","5.742","0.002","5.742","0.002","13.507","0.005","90","","90","","120","","385.7","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Lead iron vanadium oxide (1/1.75/4.25/11)","","- Fe1.75 O11 Pb V4.25 -","- Fe1.75 O11 Pb V4.25 -","- Fe3.5 O22 Pb2 V8.5 -","2","0.166667","","Mentre, O; Dhaussy, A-C; Abraham, F; Steinfink, H","Effect of iron substitution on the structural, electric, and magnetic properties in R-type Pb Fex V6-x O11, a frustrated system","Journal of Solid State Chemistry","1997","130","","223","233","10.1006/jssc.1997.7294","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004124","5.2099","0.0003","8.248","0.001","10.206","0.002","90","","90","","90","","438.6","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Thallium(I) triborate","","- B3 O5 Tl -","- B3 O5 Tl -","- B12 O20 Tl4 -","4","1","","Touboul, M; Betourne, E; Nowogrocki, G","Crystal structure of thallium triborate, Tl B3 O5","Journal of Solid State Chemistry","1997","131","","370","373","10.1006/jssc.1997.7399","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004125","5.93","0.004","9.079","0.01","11.473","0.006","90","","90","","90","","617.7","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dilead dioxophosphatobismuthate","","- Bi O6 P Pb2 -","- Bi O6 P Pb2 -","- Bi4 O24 P4 Pb8 -","4","0.5","","Mizrahi, A; Wignacourt, J-P; Steinfink, H","Pb2 Bi O2 P O4, a new oxyphosphate","Journal of Solid State Chemistry","1997","133","","516","521","10.1006/jssc.1997.7520","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004126","15.531","0.012","15.531","0.012","9.163","0.008","90","","90","","120","","1914.1","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Triammonium indium sulfate(VI)","","- H12 In N3 O12 S3 -","- H12 In N3 O12 S3 -","- H72 In6 N18 O72 S18 -","6","0.333333","","Jolibois, B; Laplace, G; Abraham, F; Nowogrocki, G","Monoclinic-trigonal transition in some M(I)3 M'(III) (S O4)3 compounds: The high temperature form of (N H4) In (S O4)3","Journal of Solid State Chemistry","1981","40","","69","74","10.1016/0022-4596(81)90363-7","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004127","6.5534","0.0005","6.5534","0.0005","6.174","0.0007","90","","90","","120","","229.6","","","","","","","","","","","","","4","P 3","P 3","143","","Tetraaqualithium tetrahydroxoborate dihydrate","","- B H16 Li O10 -","- B H32 Li O10 -","- B H32 Li O10 -","1","0.333333","","Touboul, M; Betourne, E; Nowogrocki, G","Crystal structure and dehydration process of Li (H2 O)4 B (O H)4 . 2(H2 O)","Journal of Solid State Chemistry","1995","115","","549","553","10.1006/jssc.1995.1172","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004128","10.94","","10.94","","10.94","","90","","90","","90","","1309.3","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Sodium bismuth oxide hydrate *","","- Bi2.51 H1.3 Na1.09 O6.86 -","- Bi2.51 H1.98 Na1.09 O6.86 -","- Bi20.08 H15.84 Na8.72 O54.88 -","8","0.0416667","","Trehoux, J; Abraham, F; Thomas, D","Synthese et caracterisation de nouvelles phases du diagramme (K ou Na)- Bi-O","Materials Research Bulletin","1982","17","","1235","1243","10.1016/0025-5408(82)90158-1","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004129","10.035","0.015","10.035","","10.035","","90","","90","","90","","1010.5","","","","","","","","","","","","","4","P n -3 :1","P 2 2 3 -1n","201","","Potassium catena-bismuthate 0.25-hydrate","","- Bi H0.5 K O3.25 -","- Bi H0.0833333 K O3.02083 -","- Bi12 H K12 O36.25 -","12","0.5","","Trehoux, J; Abraham, F; Thomas, D","Synthese et caracterisation de nouvelles phases du diagramme (K ou Na)- Bi-O","Materials Research Bulletin","1982","17","","1235","1243","10.1016/0025-5408(82)90158-1","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004130","7.28296","0.00009","7.28296","0.00009","6.43407","0.0001","90","","90","","90","","341.3","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Europium bismuth vanadate (0.28/0.72/1)","","- Bi0.72 Eu0.28 O4 V -","- Bi0.72 Eu0.28 O4 V -","- Bi2.88 Eu1.12 O16 V4 -","4","0.125","","Blin, J L; Lorriaux-Rubbens, A; Wallart, F; Wignacourt, J P","Synthesis and structural investigation of the Eu1-x Bix V O4 scheelite phase: X-ray diffraction, Raman scattering and Eu(3+) luminescence","Journal of Materials Chemistry","1996","6","3","385","389","10.1039/jm9960600385","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004131","11.742","0.008","5.8","0.007","24.76999","0.05","90","","102.94","0.06","90","","1644.1","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Bismuth molybdenum oxide (26/10/69)","","- Bi26 Mo10 O69 -","- Bi26 Mo10 O68.5 -","- Bi26 Mo10 O68.5 -","1","0.25","","Vannier, R N; Mairesse, G; Abraham, F; Nowogorocki, G","Bi26 Mo10 Od solid solution type in the Bi2 O3 - Mo O3 - V2 O5 ternary diagram","Journal of Solid State Chemistry","1996","122","","394","406","10.1006/jssc.1996.0133","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004132","6.1161","0.0002","6.6504","0.0002","5.5502","0.0002","97.178","0.002","108.803","0.002","115.241","0.002","184","","","","","","","","","","","","","3","P -1","-P 1","2","","Lead diplatinum tetraoxide","","- O4 Pb Pt2 -","- O4 Pb Pt2 -","- O8 Pb2 Pt4 -","2","1","","Tancret, N; Obbade, S; Bettahar, N; Abraham, F","Synthesis and ab initio structure determination from powder X-ray diffraction data of a new metallic mixed-valence platinum-lead oxide Pb Pt2 O4","Journal of Solid State Chemistry","1996","124","","309","318","10.1006/jssc.1996.0242","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004133","8.765","0.002","8.765","0.002","5.65","0.001","90","","90","","90","","434.1","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","Platinum bismuth lead oxide (1/1.6/0.4/3.8)","","- Bi1.6 O3.8 Pb0.4 Pt -","- Bi1.6 O3.8 Pb0.4 Pt -","- Bi6.4 O15.2 Pb1.6 Pt4 -","4","0.25","","Boivin, J C; Conflant, P; Thomas, D","Un nouveau compose contanant des chaine lineaires unidirectionnelles d'atomes metalliques. Pt Bi1.6 Pb0.4 O4","Materials Research Bulletin","1976","11","","1503","1510","10.1016/0025-5408(76)90101-X","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004134","11.7525","0.0002","5.8005","0.0001","24.8024","0.0004","90","","102.867","0.001","90","","1648.3","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Bismuth molybdenum oxide (26.4/9.6/68.4)","","- Bi26.4 Mo9.6 O68.4 -","- Bi26.4 Mo9.6 O68.4 -","- Bi26.4 Mo9.6 O68.4 -","1","0.25","","Vannier, R-N; Abraham, F; Nowogrocki, G; Mairesse, G","New structural and electrical data on Bi-Mo mixed oxides with a structure based on (B12 O14)(infinite) columns","Journal of Solid State Chemistry","1999","142","","294","304","10.1006/jssc.1998.8034","","","","","","0.0476","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004135","4.0242","0.0002","4.0242","0.0002","27.59999","0.001","90","","90","","120","","387.1","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth lanthanum oxide (0.78/0.23/1.5)","","- Bi0.775 La0.225 O1.5 -","- Bi0.775 La0.225 O1.5 -","- Bi6.975 La2.025 O13.5 -","9","0.25","","Drache, M; Obbade, S; Wignacourt, J P; Conflant, P","Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type","Journal of Solid State Chemistry","1999","142","","349","359","10.1006/jssc.1998.8043","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004136","3.9975","0.0001","3.9975","0.0001","27.50899","0.001","90","","90","","120","","380.7","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth praseodymium oxide (0.78/0.23/1.5)","","- Bi0.775 O1.5 Pr0.225 -","- Bi0.775 O1.5 Pr0.225 -","- Bi6.975 O13.5 Pr2.025 -","9","0.25","","Drache, M; Obbade, S; Wignacourt, J P; Conflant, P","Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type","Journal of Solid State Chemistry","1999","142","","349","359","10.1006/jssc.1998.8043","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004137","3.9915","0.0001","3.9915","0.0001","27.463","0.001","90","","90","","120","","378.9","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth neodymium oxide (0.78/0.23/1.5)","","- Bi0.775 Nd0.225 O1.5 -","- Bi0.775 Nd0.225 O1.5 -","- Bi6.975 Nd2.025 O13.5 -","9","0.25","","Drache, M; Obbade, S; Wignacourt, J P; Conflant, P","Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type","Journal of Solid State Chemistry","1999","142","","349","359","10.1006/jssc.1998.8043","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004138","3.9783","0.0002","3.9783","0.0002","27.39099","0.002","90","","90","","120","","375.4","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth samarium oxide (0.78/0.23/1.5)","","- Bi0.775 O1.5 Sm0.225 -","- Bi0.775 O1.5 Sm0.225 -","- Bi6.975 O13.5 Sm2.025 -","9","0.25","","Drache, M; Obbade, S; Wignacourt, J P; Conflant, P","Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type","Journal of Solid State Chemistry","1999","142","","349","359","10.1006/jssc.1998.8043","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004139","3.9736","0.0002","3.9736","0.0002","27.353","0.002","90","","90","","120","","374","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth europium oxide (0.78/0.23/1.5)","","- Bi0.775 Eu0.225 O1.5 -","- Bi0.775 Eu0.225 O1.5 -","- Bi6.975 Eu2.025 O13.5 -","9","0.25","","Drache, M; Obbade, S; Wignacourt, J P; Conflant, P","Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type","Journal of Solid State Chemistry","1999","142","","349","359","10.1006/jssc.1998.8043","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004140","3.9724","0.0003","3.9724","0.0003","27.33899","0.001","90","","90","","120","","373.6","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth gadolinium oxide (0.78/0.23/1.5)","","- Bi0.775 Gd0.225 O1.5 -","- Bi0.775 Gd0.225 O1.5 -","- Bi6.975 Gd2.025 O13.5 -","9","0.25","","Drache, M; Obbade, S; Wignacourt, J P; Conflant, P","Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type","Journal of Solid State Chemistry","1999","142","","349","359","10.1006/jssc.1998.8043","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004141","3.9653","0.0002","3.9653","0.0002","27.31699","0.002","90","","90","","120","","372","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth terbium oxide (0.78/0.23/1.5)","","- Bi0.775 O1.5 Tb0.225 -","- Bi0.775 O1.5 Tb0.225 -","- Bi6.975 O13.5 Tb2.025 -","9","0.25","","Drache, M; Obbade, S; Wignacourt, J P; Conflant, P","Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type","Journal of Solid State Chemistry","1999","142","","349","359","10.1006/jssc.1998.8043","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004142","3.9649","0.0002","3.9649","0.0002","27.29599","0.002","90","","90","","120","","371.6","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth dysprosium oxide (0.78/0.23/1.5)","","- Bi0.775 Dy0.225 O1.5 -","- Bi0.775 Dy0.225 O1.5 -","- Bi6.975 Dy2.025 O13.5 -","9","0.25","","Drache, M; Obbade, S; Wignacourt, J P; Conflant, P","Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type","Journal of Solid State Chemistry","1999","142","","349","359","10.1006/jssc.1998.8043","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004143","6.215","0.001","7.44","0.002","10.498","0.002","100.19","0.01","103.73","0.01","90.05","0.01","463.6","","","","","","","","","","","","","4","P -1","-P 1","2","","Tetralead bismuth tetraoxide phosphate(V)","","- Bi O8 P Pb4 -","- Bi O8 P Pb4 -","- Bi2 O16 P2 Pb8 -","2","1","","Giraud, S; Wignacourt, J-P; Drache, M; Nowogrocki, G; Steinfink, H","The stereochemical effect of 6s2 lone-pair electrons: the crystal structure of a new lead bismuth oxyphosphate Pb4 Bi O4 P O4","Journal of Solid State Chemistry","1999","142","","80","88","10.1006/jssc.1998.7988","","","","","","0.0485","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004144","8.424","0.002","11.378","0.003","13.16","0.005","90","","92.06","0.03","90","","1260.5","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Caesium tetrahydroxopentaoxoborate trihydrate","","- B4 Cs2 H10 O12 -","- B4 Cs2 H10 O12 -","- B16 Cs8 H40 O48 -","4","1","","Touboul, M; Penin, N; Nowogrocki, G","Crystal structure and thermal behavior of Cs2 (B4 O5 (O H)4)3 H2 O","Journal of Solid State Chemistry","1999","143","","260","265","10.1006/jssc.1998.8104","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1004145","10.985","0.003","5.635","0.001","6.452","0.006","90","","105.3","0.4","90","","385.2","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Distrontium diruthenium(VI) ruthenium(IV) oxide","","- O10 Ru3 Sr2 -","- O10 Ru3 Sr2 -","- O20 Ru6 Sr4 -","2","0.25","","Renard, C; Daviero-Minaud, S; Abraham, F","High-pressure synthesis and crystal structure of a new strontium ruthenium oxide: Sr2 Ru3 O10","Journal of Solid State Chemistry","1999","143","","266","272","10.1006/jssc.1998.8105","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004146","5.566","0.002","5.566","0.002","18.18599","0.005","90","","90","","120","","487.9","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Strontium ruthenium oxide (4/3.05/12)","","- O12 Ru3.05 Sr4 -","- O12 Ru3.05 Sr4 -","- O24 Ru6.1 Sr8 -","2","0.166667","","Renard, C; Daviero-Minaud, S; Huve, M; Abraham, F","Sr4 Ru3.05 O12: a new member of the hexagonal perovskite family","Journal of Solid State Chemistry","1999","144","","125","135","10.1006/jssc.1999.8132","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004147","15.478","0.01","3.644","0.005","10.123","0.006","90","","109.29","0.01","90","","538.9","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Lead vanadium oxide (0.3/2/5) - $-beta","","- O5 Pb0.3 V2 -","- O5 Pb0.300667 V2 -","- O30 Pb1.804 V12 -","6","0.75","","Mentre, O; Huve, M; Abraham, F","Bidimensional cationic ordering and thermal dependence in $-beta- Pb(x) V2 O5 bronzes","Journal of Solid State Chemistry","1999","145","","186","196","10.1006/jssc.1999.8241","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004148","15.478","0.01","7.288","0.005","10.123","0.006","90","","109.29","0.01","90","","1077.8","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Lead vanadium oxide (0.3/2/5) - $-beta","","- O5 Pb0.304 V2 -","- O5 Pb0.304 V2 -","- O60 Pb3.648 V24 -","12","3","","Mentre, O; Huve, M; Abraham, F","Bidimensional cationic ordering and thermal dependence in $-beta- Pb(x) V2 O5 bronzes","Journal of Solid State Chemistry","1999","145","","186","196","10.1006/jssc.1999.8241","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004149","11.904","0.002","6.8321","0.0006","12.095","0.002","90","","106.989","0.005","90","","941","2","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Caesium dioxouranium tris(vanadate)","","- Cs O11 U V3 -","- Cs O11 U V3 -","- Cs4 O44 U4 V12 -","4","1","","Duribreux, I.; Dion, C.; Abraham, F.; Saadi, M.","CsUV~3~O~11~, a new uranyl vanadate with a layered structure","Journal of Solid State Chemistry","1999","146","1","258","265","10.1006/jssc.1999.8349","","","","","","","0.046","","","0.045","","","","","","","","","","","has coordinates","208739","2020-10-21","18:00:00",""
"1004150","7.534","0.007","12.992","0.012","15.555","0.012","90","","90","","90","","1522.6","","","","","","","","","","","","","3","I m 2 m","I -2 -2","44","","Thallium niobium oxide (8/27.2/72)","","- Nb27.2 O72 Tl8 -","- Nb27.2 O72 Tl8 -","- Nb27.2 O72 Tl8 -","1","0.125","","Dupont, L; Hervieu, M; Pelloquin, D; Nowogrocki, G; Touboul, M","Synthesis and crystal structure determination of Tl8 Nb27.2 O72 using TEM and single-crystal x-ray diffraction","Journal of Solid State Chemistry","1998","135","","282","292","10.1006/jssc.1997.7638","","","","","","0.097","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004151","7.557","0.003","11.925","0.006","14.734","0.019","90","","90","","90","","1327.8","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Thallium pentaborate","","- B5 O8 Tl -","- B5 O8 Tl -","- B40 O64 Tl8 -","8","1","","Touboul, M; Nowogrocki, G","Dehydration process of Tl B5 O6 (O H)4 . 2(H2 O) and crystal structure of Tl B5 O8","Journal of Solid State Chemistry","1998","136","","216","220","10.1006/jssc.1997.7682","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004152","11.671","0.002","5.463","0.001","14.792","0.003","90","","93.67","0.01","90","","941.2","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Bismuth vanadium chloride oxide","","- Bi9 Cl O18 V2 -","- Bi9 Cl O18 V2 -","- Bi18 Cl2 O36 V4 -","2","0.5","","Mentre, O; Abraham, F","Synthesis, crystal structure, infrared characterization, and electrical properties of the new Bi9 (V(1-x) P(x))2 Cl O18 series (0 <= x <= 1)","Journal of Solid State Chemistry","1998","136","","34","45","10.1006/jssc.1997.7644","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005000","12.2376","0.0007","5.7177","0.0008","7.4835","0.0005","90","","108.034","0.005","90","","497.9","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Pentayttrium dimolybdenum dodecaoxide","","- Mo2 O12 Y5 -","- Mo2 O12 Y5 -","- Mo4 O24 Y10 -","2","0.25","","Torardi, C C; Fecketter, C; McCarroll, W H; DiSalvo, F J","Structure and properties of Y~5~Mo~2~O~12~ and Gd~5~Mo~2~O~12~: Valence oxides with structurally equivalent molybdenum atoms","Journal of Solid State Chemistry","1985","60","","332","342","10.1016/0022-4596(85)90284-1","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005001","3.5809","0.0002","3.5809","0.0002","7.0096","0.0003","90","","90","","90","","89.9","","","","","","","","","","","","","3","P 42/m m c","-P 4c 2","131","","Calcium nickel(I) nitride","","- Ca N Ni -","- Ca N Ni -","- Ca2 N2 Ni2 -","2","0.125","","Chern, M Y; Disalvo, F J","Synthesis, structure, electric and magnetic properties of CaNiN","Journal of Solid State Chemistry","1990","88","","459","464","10.1016/0022-4596(90)90242-P","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005002","3.5835","0.0004","3.5835","0.0004","12.6583","0.0007","90","","90","","90","","162.6","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Dicalcium zinc nitride","","- Ca2 N2 Zn -","- Ca2 N2 Zn -","- Ca4 N4 Zn2 -","2","0.0625","","Chern, M Y; DiSalvo, F J","Synthesis, structure and properties of Ca~2~ZnN~2~","Journal of Solid State Chemistry","1990","88","","528","533","10.1016/0022-4596(90)90250-2","","","","","","0.124","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005003","7.84","0.001","14.431","0.002","6.237","0.001","90","","90","","90","","705.6","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Niobium(II) cobalt telluride","","- Co Nb Te2 -","- Co Nb Te2 -","- Co8 Nb8 Te16 -","8","","","Li, J; Badding, M E; DiSalvo, F J","New layered ternary niobium tellurides: synthesis, structure and properties of NbMTe~2~ (M=Fe, Co)","Inorganic Chemistry","1992","31","","1050","1054","10.1021/ic00032a024","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005004","7.922","0.001","7.239","0.001","6.243","0.001","90","","90","","90","","358","","","","","","","","","","","","","3","P m n a","-P 2ac 2","53","","Niobium(II) iron telluride","","- Fe Nb Te2 -","- Fe Nb Te2 -","- Fe4 Nb4 Te8 -","4","0.5","","Li, J; Badding, M E; DiSalvo, F J","New layered ternary niobium tellurides: synthesis, structure and properties of NbMTe~2~ (M=Fe, Co)","Inorganic Chemistry","1992","31","","1050","1054","10.1021/ic00032a024","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005005","9.829","0.001","9.829","0.001","9.829","0.001","90","","90","","90","","949.6","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Lithium niobium nitride","","- Li7 N4 Nb -","- Li7 N4 Nb -","- Li56 N32 Nb8 -","8","0.333333","","Vennos, D A; DiSalvo, F J","Structure of lithium niobium nitride","Acta Crystallographica C (39,1983-)","1992","48","","610","612","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005006","3.8862","0.0001","10.2118","0.0002","10.2624","0.0003","90","","90","","90","","407.3","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Tritantalum nitride","","- N5 Ta3 -","- N5 Ta3 -","- N20 Ta12 -","4","0.25","","Brese, N E; O'Keefe, M; Rauch, P; DiSalvo, F J","Structure of Ta~3~N~5~ at 16 K by time-of-flight neutron diffraction","Acta Crystallographica C (39,1983-)","1991","47","","2291","2294","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005007","7.436","0.001","3.638","0.001","10.008","0.001","90","","109.17","0.01","90","","255.7","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tantalum iron telluride (1/1.3/3)","","- Fe1.25 Ta Te3 -","- Fe1.25 Ta Te3 -","- Fe2.5 Ta2 Te6 -","2","0.5","","Badding, M E; Li, J; DiSalvo, F J; Zhou, W; Edwards, P P","Characterization of TaFe~1.25~Te~3~, a new layered telluride with an unusual metal network structure","Journal of Solid State Chemistry","1992","100","","313","324","10.1016/0022-4596(92)90106-6","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005008","6.7159","0.0002","6.711","0.0002","9.5198","0.0002","90","","90","","90","","429.1","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Calcium arsenide nitride","","- As Ca3 N -","- As Ca3 N -","- As4 Ca12 N4 -","4","0.5","","Chern, M Y; DiSalvo, F J; Parise, J B; Goldstone, J A","The structural distorsion of the anti-perovskite nitride Ca~3~AsN","Journal of Solid State Chemistry","1992","96","","426","435","10.1016/S0022-4596(05)80277-4","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005009","6.725","0.0002","6.7198","0.0002","9.5335","0.0001","90","","90","","90","","430.8","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Calcium arsenide nitride","","- As Ca3 N -","- As Ca3 N -","- As4 Ca12 N4 -","4","0.5","","Chern, M Y; DiSalvo, F J; Parise, J B; Goldstone, J A","The structural distorsion of the anti-perovskite nitride Ca~3~AsN","Journal of Solid State Chemistry","1992","96","","426","435","10.1016/S0022-4596(05)80277-4","","","","","","0.103","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005010","6.353","0.002","13.938","0.005","11.507","0.004","90","","90","","90","","1018.9","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Triniobium silicon hexatelluride","","- Nb3 Si Te6 -","- Nb3 Si Te6 -","- Nb12 Si4 Te24 -","4","0.5","","Li, J; Badding, M E; DiSalvo, F J","Synthesis and structure of Nb~3~SiTe~6~, a new layered ternary niobium telluride compound","Journal of Alloys Compd.","1992","184","","257","263","10.1016/0925-8388(92)90499-Y","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005011","2.8674","0.0002","2.8674","0.0002","15.801","0.002","90","","90","","120","","112.5","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Lithium molybdenum(V) dinitride","","- Li Mo N2 -","- Li Mo N2 -","- Li3 Mo3 N6 -","3","0.333333","","Elder, S H; Doerrer, L H; DiSalvo, F J; Parise, J B; Guyomard, D; Tarascon, J M","LiMoN~2~: the first metallic layered nitride","Chemistry of Materials (1,1989-","1992","4","4","928","937","10.1021/cm00022a033","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1005012","10.033","0.003","10.033","0.003","10.033","0.003","90","","90","","90","","1009.9","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Barium cobalt sulfide (6/25/27)","","- Ba6 Co25 S27 -","- Ba6 Co25 S27 -","- Ba6 Co25 S27 -","1","0.0208333","","Snyder, G J; Badding, M E; DiSalvo, F J","Synthesis, structure and properties of Ba~6~Co~25~S~27~: a perovskite- like superstructure of Co~8~S~6~ and Ba~6~S clusters","Inorganic Chemistry","1992","31","","2107","2110","10.1021/ic00037a024","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005013","8.544","","10.38","","5.064","","90","","90","","90","","449.1","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Tricalcium trinitridovanadate(III)","","- Ca3 N3 V -","- Ca3 N3 V -","- Ca12 N12 V4 -","4","0.25","","Vennos, D A; DiSalvo, F J","Synthesis and characterization of a new ternary nitride, Ca~3~VN~3~","Journal of Solid State Chemistry","1992","100","","401","401","10.1016/0022-4596(92)90118-F","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005014","7.2481","0.0003","6.2728","0.0003","5.6493","0.0002","90","","90","","90","","256.9","","","","","","","","","","","","","4","P m n 21","P 2ac -2","31","","Sodium trioxonitridotungstate","","- N Na3 O3 W -","- N Na3 O3 W -","- N2 Na6 O6 W2 -","2","0.5","","Elder, S H; DiSalvo, F J; Parise, J B; Hriljac, J A; Richardsen, J W, jr.","The synthesis and structural characterization of Na~3~WO~3~N","Journal of Solid State Chemistry","1994","108","","73","79","10.1006/jssc.1994.1011","","","","","","0.0286","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005015","5.454","0.001","5.8098","0.0006","21.461","0.004","90","","90","","90","","680","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","Gadolinium sulfide (0.96/1)","","- Gd0.957 S -","- Gd0.957 S -","- Gd7.656 S8 -","8","","","Rouxel, J; Moelo, Y; Lafond, A; DiSalvo, F J; Meerschaut, A; Roesky, R","Role of vacancies in misfit layered compounds: the case of the gadolinium chromium sulfide compound","Inorganic Chemistry","1994","33","","3358","3363","10.1021/ic00093a026","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1005016","6.4413","0.0003","6.4926","0.0003","8.9406","0.0003","90","","90","","90","","373.9","","","","","","","","","","","","","3","C m m a","-C 2a 2","67","","Barium cobalt sulfide","","- Ba Co S2 -","- Ba Co S2 -","- Ba4 Co4 S8 -","4","0.25","","Snyder, G J; Gelabert, M C; DiSalvo, F J","Refined structure and properties of the layered Mott insulator Ba Co S2","Journal of Solid State Chemistry","1994","113","","355","361","10.1006/jssc.1994.1380","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005017","13.481","0.002","4.459","0.001","10.05","0.001","90","","90","","90","","604.1","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Cerium palladium antimonide (3/6/5)","","- Ce3 Pd6 Sb5 -","- Ce3 Pd6 Sb5 -","- Ce6 Pd12 Sb10 -","2","0.25","","Gordon, R A; DiSalvo, F J; Poettgen, R","Crystal structure and physical properties of Ce3 Pd6 Sb5","Journal of Alloys Compd.","1995","228","","16","22","10.1016/0925-8388(95)01689-9","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1005018","17.75","0.003","5.66","0.0009","11.07","0.002","90","","90","","90","","1112.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Lanthanum molybdenum aluminum oxide (3/4.3/.7/14)","","- Al0.67 La3 Mo4.33 O14 -","- Al0.692 La3 Mo4.308 O14 -","- Al2.768 La12 Mo17.232 O56 -","4","0.5","","McCarroll, W H; Podejko, K; Cheetham, A K; Thomas, D M; DiSalvo, F J","The crystal structure of La3 Mo4.33 Al.67 O14 and the electronic structure of La3 Mo4 X O14 (X=Si, Mo1/3 Al2/3; Al1/2 V1/2)","Journal of Solid State Chemistry","1986","62","","241","252","10.1016/0022-4596(86)90237-9","","","","","","0.0343","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1005019","3.8568","0.0002","3.8568","0.0002","12.935","0.001","90","","90","","90","","192.4","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Strontium dinitridozincate","","- N2 Sr2 Zn -","- N2 Sr2 Zn -","- N4 Sr4 Zn2 -","2","0.0625","","Yamane, H; DiSalvo, F J","Synthesis and crystal structure of Sr2 Zn N2 and Ba2 Zn N2","Journal of Solid State Chemistry","1995","119","","375","379","10.1016/0022-4596(95)80055-T","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005020","4.152","0.001","4.152","0.001","13.055","0.003","90","","90","","90","","225.1","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Barium dinitridozincate","","- Ba2 N2 Zn -","- Ba2 N2 Zn -","- Ba4 N4 Zn2 -","2","0.0625","","Yamane, H; DiSalvo, F J","Synthesis and crystal structure of Sr2 Zn N2 and Ba2 Zn N2","Journal of Solid State Chemistry","1995","119","","375","379","10.1016/0022-4596(95)80055-T","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005021","6.159","0.001","10.305","0.002","15.292","0.003","90","","90","","90","","970.6","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pentabarium disilicon nitride","","- Ba5 N6 Si2 -","- Ba5 N6 Si2 -","- Ba20 N24 Si8 -","4","1","","Yamane, H; DiSalvo, F J","Preparation and crystal structure of a new barium silicon nitride, Ba5 Si2 N6","Journal of Alloys Compd.","1996","240","","33","36","10.1016/0925-8388(96)02242-6","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005022","10.708","0.002","11.233","0.002","16.52699","0.003","90","","90","","90","","1987.9","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Tricerium hexachloride nitride","","- Ce3 Cl6 N -","- Ce3 Cl6 N -","- Ce24 Cl48 N8 -","8","1","","Ehrlich, G M; Badding, M E; Brese, N E; Trail, S S; DiSalvo, F J","Corrigendum to ""New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl""","Journal of Alloys Compd.","1996","235","","133","134","10.1016/0925-8388(95)02134-5","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005023","5.723","0.002","10.04","0.003","26.05899","0.007","90","","90","","90","","1497.3","","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","Dipotassium phyllo-tetrathiotriniccolate","","- K2 Ni3 S4 -","- K2 Ni3 S4 -","- K16 Ni24 S32 -","8","0.25","","Elder, S H; Jobic, S; Brec, R; Gelabert, M; DiSalvo, F J","Structural and electronic properties of K2 Ni3 S4, a pseudo-two dimensional compound with a honeycomb-like arrangement","Journal of Alloys Compd.","1996","235","","135","142","10.1016/0925-8388(95)02064-0","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1005024","16.67299","0.002","4.1205","0.0004","9.998","0.001","90","","108.045","0.004","90","","653.1","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cerium palladium arsenide (1/3/2)","","- As2 Ce Pd3 -","- As2 Ce Pd3 -","- As12 Ce6 Pd18 -","6","0.75","","Gordon, R A; DiSalvo, F J; Poettgen, R","Physical properties of Ce Pd3 As2","Journal of Alloys Compd.","1996","236","","86","91","10.1016/0925-8388(95)02171-X","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005025","10.708","0.002","11.233","0.002","16.52699","0.003","90","","90","","90","","1987.9","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Tricerium hexacachloride nitride","","- Ce3 Cl6 N -","- Ce3 Cl6 N -","- Ce24 Cl48 N8 -","8","1","","Ehrlich, G M; Badding, M E; Brese, N E; Trail, S S; DiSalvo, F J","New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl","Journal of Alloys Compd.","1994","206","","95","101","10.1016/0925-8388(94)90015-9","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005026","9.7311","0.0014","9.7311","0.0014","6.3366","0.0013","90","","90","","120","","519.6","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","Lanthanum dicalcium germanium tetrasulfide trichloride","","- Ca2 Cl3 Ge La S4 -","- Ca2.001 Cl3 Ge La0.999 S4 -","- Ca4.002 Cl6 Ge2 La1.998 S8 -","2","0.166667","","Gitzendanner, R L; DiSalvo, F J","Synthesis and structure of a new quinary sulfide halide: La Ca2 Ge S4 Cl3","Inorganic Chemistry","1996","35","","2623","2626","10.1021/ic951184z","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005027","9.032","0.002","3.883","0.001","9.648","0.002","90","","112.42","0.03","90","","312.8","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tristrontium germanide dinitridogermanate","","- Ge2 N2 Sr3 -","- Ge2 N2 Sr3 -","- Ge4 N4 Sr6 -","2","0.5","","Clarke, S J; Kowach, G R; DiSalvo, F J","Synthesis and structure of two new strontium germanium nitrides: Sr3 Ge2 N2 and Sr2 Ge N2","Inorganic Chemistry","1996","35","","7009","7012","10.1021/ic960518x","","","","","","0.106","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005028","11.773","0.002","11.773","0.002","5.409","0.001","90","","90","","90","","749.7","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","Distrontium dinitridogermanate(II)","","- Ge N2 Sr2 -","- Ge N2 Sr2 -","- Ge8 N16 Sr16 -","8","0.5","","Clarke, S J; Kowach, G R; DiSalvo, F J","Synthesis and structure of two new strontium germanium nitrides: Sr3 Ge2 N2 and Sr2 Ge N2","Inorganic Chemistry","1996","35","","7009","7012","10.1021/ic960518x","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005029","4.568","0.001","4.568","0.001","8.942","0.002","90","","90","","90","","186.6","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Barium cobalt sulfide","","- Ba Co S2 -","- Ba Co S2 -","- Ba2 Co2 S4 -","2","0.125","","Gelabert, M C; Brese, N E; DiSalvo, F J; Jobic, S; Deniard, P; Brec, R","Polymorphism and superstructure in Ba Co S2-d","Journal of Solid State Chemistry","1996","127","","211","221","10.1006/jssc.1996.0377","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1005030","6.439","0.0003","6.4909","0.0003","8.9379","0.0004","90","","90","","90","","373.6","","","","","","","","","","","","","3","C m m a","-C 2a 2","67","","Barium cobalt sulfide (1/1/1.84)","","- Ba Co S1.84 -","- Ba Co S1.84 -","- Ba4 Co4 S7.36 -","4","0.25","","Gelabert, M C; Brese, N E; DiSalvo, F J; Jobic, S; Deniard, P; Brec, R","Polymorphism and superstructure in Ba Co S2-d","Journal of Solid State Chemistry","1996","127","","211","221","10.1006/jssc.1996.0377","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005031","9.6196","0.0006","4.0466","0.0002","10.1337","0.0005","90","","113.553","0.004","90","","361.6","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tribarium digermanium dinitride","","- Ba3 Ge2 N2 -","- Ba3 Ge2 N2 -","- Ba6 Ge4 N4 -","2","0.5","","Yamane, H; DiSalvo, F J","A barium germanium nitride, Ba3 Ge2 N2, containing (1-infinite)Ge(2-) and (Ge N2)(4-) anions","Journal of Alloys Compd.","1996","241","","69","74","10.1016/0925-8388(96)02326-2","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005032","6.201","0.0012","10.511","0.002","10.07","0.002","90","","90","","90","","656.3","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","Tribarium digallium nitride","","- Ba3 Ga2 N4 -","- Ba3 Ga2 N4 -","- Ba12 Ga8 N16 -","4","0.5","","Yamane, H; DiSalvo, F J","Ba3 Ga2 N4","Acta Crystallographica C (39,1983-)","1996","52","","760","761","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005033","8.461","0.001","8.461","0.001","8.461","0.001","90","","90","","90","","605.7","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Cerium palladium antimonide (8/24/1)","","- Ce8 Pd24 Sb -","- Ce8 Pd24 Sb -","- Ce8 Pd24 Sb -","1","0.0208333","","Gordon, R A; DiSalvo, F J","Crystal structure and magnetic susceptibility of Ce8 Pd24 Sb","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","52","56","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005034","10.0565","0.0002","10.0565","0.0002","10.0565","0.0002","90","","90","","90","","1017","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Barium nickel sulfide (6/25/27)","","- Ba6 Ni25 S27 -","- Ba6 Ni25 S27 -","- Ba6 Ni25 S27 -","1","0.0208333","","Gelabert, M C; Ho, M H; Malik, A-S; DiSalvo, F J; Deniard, P; Brec, R","Structure and properties of Ba6 Ni25 S27","Chemistry - A European Journal","1997","3","11","1884","1889","10.1002/chem.19970031121","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005035","7.9979","0.0011","9.6273","0.0012","12.6441","0.0014","75.867","0.007","85.69","0.012","87.868","0.013","941.3","","","","","","","","","","","","","3","P -1","-P 1","2","","Nonabarium tetranitridoniobate nitride azide","","- Ba9 N12 Nb2 -","- Ba9 N12 Nb2 -","- Ba18 N24 Nb4 -","2","1","","Clarke, S J; DiSalvo, F J","Barium niobium nitride azide: Ba9 (NbN4)2 N (N3)","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","109","310","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005036","4.335","0.001","4.335","0.001","4.226","0.001","90","","90","","120","","68.8","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Cerium gold germanium (1/0.73/1.27)","","- Au0.73 Ce Ge1.27 -","- Au0.73 Ce Ge1.27 -","- Au0.73 Ce Ge1.27 -","1","0.0416667","","Jones, C D W; Gordon, R A; DiSalvo, F J; Poettgen, R; Kremer, R K","Magnetic Behaviour of Two AlB2-Related Germanides: CePd0.63Ge1.37 and CeAu0.75Ge1.25","Journal of Alloys Compd.","1997","260","","50","55","10.1016/S0925-8388(97)00159-X","","","","","","0.0301","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1005037","8.104","0.002","8.104","0.002","4.197","0.002","90","","90","","120","","238.7","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Cerium cobalt silicide (2/1/3)","","- Ce2 Co Si3 -","- Ce2 Co Si3 -","- Ce4 Co2 Si6 -","2","0.0833333","","Gordon, R A; Warren, C J; Alexander, M G; DiSalvo, F J; Poettgen, R","Substitution in Ce2 T Si3 intermetallic compositions with T = (Cr, Mn, Fe, Co, or Ni)x (Pd or Au)1-x","Journal of Alloys Compd.","1997","248","","24","32","10.1016/S0925-8388(96)02624-2","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005038","9.045","0.002","13.234","0.003","5.388","0.001","90","","90","","90","","645","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Strontium copper(I) nitride","","- Cu N Sr -","- Cu N Sr -","- Cu12 N12 Sr12 -","12","1.5","","DiSalvo, F J; Trail, S S; Yamane, H; Brese, N E","The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-) anions and the single crystal structural determination of Sr Cu N","Journal of Alloys Compd.","1997","255","","122","129","10.1016/S0925-8388(96)02811-3","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005039","8.657","0.0012","8.657","0.0012","7.334","0.002","90","","90","","90","","549.6","","","","","","","","","","","","","3","P 42 m c","P 4c -2","105","","Hexastrontium trinitridodicuprate(I) dinitridocuprate(I)","","- Cu3 N5 Sr6 -","- Cu3 N5 Sr6 -","- Cu6 N10 Sr12 -","2","0.25","","DiSalvo, F J; Trail, S S; Yamane, H; Brese, N E","The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-) anions and the single crystal structural determination of Sr Cu N","Journal of Alloys Compd.","1997","255","","122","129","10.1016/S0925-8388(96)02811-3","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005040","7.249","0.001","4.21","0.001","9.314","0.001","90","","108.87","0.01","90","","269","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dibarium germanide nitridogallate","","- Ba2 Ga Ge N -","- Ba2 Ga Ge N -","- Ba4 Ga2 Ge2 N2 -","2","0.5","","Clarke, S J; DiSalvo, F J","Synthesis and structure of the subnitrides Ba2 Ge Ga N and (Bax Sr1-x)3 Ge2 N2 ; x = 0.7","Journal of Alloys Compd.","1997","259","","158","162","10.1016/S0925-8388(97)00095-9","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005041","9.5109","0.0009","4.0201","0.0003","10.0412","0.0009","90","","113.06","0.01","90","","353.2","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Barium strontium germanide dinitridogermanate (2.35/0.65/1/1)","","- Ba2.35 Ge2 N2 Sr0.65 -","- Ba2.35 Ge2 N2 Sr0.65 -","- Ba4.7 Ge4 N4 Sr1.3 -","2","0.5","","Clarke, S J; DiSalvo, F J","Synthesis and structure of the subnitrides Ba2 Ge Ga N and (Bax Sr1-x)3 Ge2 N2 ; x = 0.7","Journal of Alloys Compd.","1997","259","","158","162","10.1016/S0925-8388(97)00095-9","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1005042","3.995","0.001","10.197","0.002","10.331","0.002","90","","90","","90","","420.9","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sodium pentanitridotantalo(IV)ditantalate","","- N5 Na Ta3 -","- N5 Na Ta3 -","- N20 Na4 Ta12 -","4","0.25","","Clarke, S J; DiSalvo, F J","A new conducting ternary nitride : Nax Ta3 N5 (0<x<1.4)","Journal of Solid State Chemistry","1997","132","","394","398","10.1006/jssc.1997.7481","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005043","6.034","0.001","12.236","0.002","3.888","0.001","90","","90","","90","","287.1","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Dilanthanum dimolybdate(IV)","","- La2 Mo2 O7 -","- La2 Mo2 O7 -","- La4 Mo4 O14 -","2","0.25","","Moini, A; Subramanian, M A; Clearfield, A; DiSalvo, F J; McCarroll, W H","Structure and properties of La2 Mo2 O7: A quasi-twodimensional metallic oxide with strong Mo-Mo bonds","Journal of Solid State Chemistry","1987","66","","136","143","10.1016/0022-4596(87)90228-3","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005044","13.769","0.002","8.0412","0.0008","9.3482","0.001","90","","90","","90","","1035","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Dicerium nonapalladium triantimonide","","- Ce2 Pd9 Sb3 -","- Ce2 Pd9 Sb3 -","- Ce8 Pd36 Sb12 -","4","0.25","","Gordon, R A; DiSalvo, F J; Poettgen, R; Brese, N E","Crystal structure, electric and magnetic behaviour of Ce2 Pd9 Sb3","Journal of the Chemical Society. Faraday Transactions","1996","92","12","2167","2171","10.1039/ft9969202167","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005045","8.503","0.002","10.284","0.002","5.032","0.001","90","","90","","90","","440","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Tricalcium chromium trinitride","","- Ca3 Cr N3 -","- Ca3 Cr N3 -","- Ca12 Cr4 N12 -","4","0.25","","Vennos, D A; Badding, M E; Disalvo, F J","Synthesis, structure, and properties of a new ternary metal Ca3 Cr N3","Inorganic Chemistry","1990","29","","4059","4062","10.1021/ic00345a030","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005046","10.536","0.003","18.27499","0.005","4.799","0.001","90","","90","","90","","924","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Tetratantalum silicon tetratelluride","","- Si Ta4 Te4 -","- Si Ta4 Te4 -","- Si4 Ta16 Te16 -","4","0.5","","Badding, M E; Disalvo, F J","Synthesis and structure of Ta4 Si Te4, a new low-dimensional material","Inorganic Chemistry","1990","29","","3952","3954","10.1021/ic00345a009","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005047","4.68578","0.00009","4.68578","0.00009","2.97762","0.00009","90","","90","","90","","65.4","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Lithium manganese nitride (0.66/1.34/1)","","- Li0.66 Mn1.34 N -","- Li0.66 Mn1.34 N -","- Li1.32 Mn2.68 N2 -","2","0.125","","Niewa, R; DiSalvo, F J; Yang, D-K; Zax, D B; Luo, H; Yelon, W B","Synthesis, crystal structure and properties of a lithium manganese nitride, (Li, Mn)2 N","Journal of Alloys Compd.","1998","266","","32","38","10.1016/S0925-8388(97)00456-8","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1005048","4.69795","0.00006","4.69795","0.00006","2.96053","0.00005","90","","90","","90","","65.3","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Lithium manganese nitride (0.86/1.14/1)","","- Li0.86 Mn1.14 N -","- Li0.858 Mn1.142 N -","- Li1.716 Mn2.284 N2 -","2","0.125","","Niewa, R; DiSalvo, F J; Yang, D-K; Zax, D B; Luo, H; Yelon, W B","Synthesis, crystal structure and properties of a lithium manganese nitride, (Li, Mn)2 N","Journal of Alloys Compd.","1998","266","","32","38","10.1016/S0925-8388(97)00456-8","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1005049","11.21","0.002","11.21","0.002","15.914","0.002","90","","90","","90","","1999.8","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Tricalcium digallium tetranitride - β","","- Ca3 Ga2 N4 -","- Ca3 Ga2 N4 -","- Ca48 Ga32 N64 -","16","0.5","","Clarke, S. J.; DiSalvo, F. J.","Synthesis and structure of β-Ca~3~Ga~2~N~4~, a ternary nitride with two interpenetrating three dimensional nets","Journal of Alloys and Compounds","1998","274","1-2","118","121","10.1016/S0925-8388(98)00533-7","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","200131","2020-10-21","18:00:00",""
"1005050","14.462","0.002","5.57","0.0008","9.478","0.001","90","","102.96","0.002","90","","744","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Barium nitrocuprate(I)","","- Ba Cu N -","- Ba Cu N -","- Ba12 Cu12 N12 -","12","1.5","","Niewa, R; DiSalvo, F J","Breaking up chains: the nitridocuprates(I) Ba (Cu N), Ba16 ((Cu N)8) (Cu2 N3) (Cu3 N4) and Ca4 Ba (Cu N2)2","Journal of Alloys Compd.","1998","279","","153","160","10.1016/S0925-8388(98)00657-4","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005051","9.5611","0.0004","7.2731","0.0002","13.5225","0.0005","90","","93.115","0.002","90","","938.9","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Barium copper nitride (16/13/15)","","- Ba16 Cu13 N15 -","- Ba16 Cu13 N15 -","- Ba16 Cu13 N15 -","1","0.25","","Niewa, R; DiSalvo, F J","Breaking up chains: the nitridocuprates(I) Ba (Cu N), Ba16 ((Cu N)8)(Cu2 N3) (Cu3 N4) and Ca4 Ba (Cu N2)2","Journal of Alloys Compd.","1998","279","","153","160","10.1016/S0925-8388(98)00657-4","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005052","8.2366","0.0004","8.2366","0.0004","12.5731","0.0006","90","","90","","90","","853","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","Tetracalcium barium bis(dinitrocuprate(I))","","- Ba Ca4 Cu2 N4 -","- Ba Ca4 Cu2 N4 -","- Ba4 Ca16 Cu8 N16 -","4","0.25","","Niewa, R; DiSalvo, F J","Breaking up chains: the nitridocuprates(I) Ba (Cu N), Ba16 ((Cu N)8)(Cu2 N3) (Cu3 N4) and Ca4 Ba (Cu N2)2","Journal of Alloys Compd.","1998","279","","153","160","10.1016/S0925-8388(98)00657-4","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1005053","11.6291","0.0008","13.4159","0.001","12.0862","0.0009","90","","90","","90","","1885.6","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Nonacalcium octachloride bis(dicarbidoborate)","","- C4 B2 Ca9 Cl8 -","- C4 B2 Ca9 Cl8 -","- C16 B8 Ca36 Cl32 -","4","0.25","","Reckeweg, O; DiSalvo, F J; Meyer, H-J","An expected calcium carbido borate chloride:Ca9 Cl8 (B C2)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1408","1410","10.1002/(SICI)1521-3749(199909)625:9<1408::AID-ZAAC1408>3.0.CO;2-O","","","","","","0.0707","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1005054","6.7301","0.0002","6.7246","0.0002","9.5402","0.0002","90","","90","","90","","431.8","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Tricalcium arsenide nitride","","- As Ca3 N -","- As Ca3 N -","- As4 Ca12 N4 -","4","0.5","","Chern, M Y; DiSalvo, F J; Parise, J B; Goldstone, J A","The structural distorsion of the anti-perovskite nitride Ca3 As N","Journal of Solid State Chemistry","1992","96","","426","435","10.1016/S0022-4596(05)80277-4","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005055","10.367","0.001","10.367","0.001","5.814","0.001","90","","90","","120","","541.1","","","","","","","","","","","","","4","P 63","P 6c","173","","Hexalanthanum magnesium digermanium sulfide","","- Ge2 La6 Mg S14 -","- Ge2 La6 Mg S14 -","- Ge2 La6 Mg S14 -","1","0.166667","","Gitzendanner, R L; Spencer, C M; DiSalvo, F J; Pell, M A; Ibers, J A","Synthesis and structure of a new quaternary rare-earth sulfide, La6 Mg Ge2 S14, and the related compound La6 Mg Si2 S14","Journal of Solid State Chemistry","1997","131","","399","404","10.1006/jssc.1997.7421","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005056","10.363","0.002","10.363","0.002","5.742","0.001","90","","90","","120","","534","","","","","","","","","","","","","4","P 63","P 6c","173","","Hexalanthanum magnesium disilicon sulfide","","- La6 Mg S14 Si2 -","- La6 Mg S14 Si2 -","- La6 Mg S14 Si2 -","1","0.166667","","Gitzendanner, R L; Spencer, C M; DiSalvo, F J; Pell, M A; Ibers, J A","Synthesis and structure of a new quaternary rare-earth sulfide, La6 Mg Ge2 S14, and the related compound La6 Mg Si2 S14","Journal of Solid State Chemistry","1997","131","","399","404","10.1006/jssc.1997.7421","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005057","6.717","0.002","5.064","0.002","6.72","0.003","90","","78.88","0.03","90","","224.3","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Calcium vanadium nitride (3/1/3)","","- Ca3 N3 V -","- Ca3 N3 V -","- Ca6 N6 V2 -","2","0.5","","Vennos, D A; DiSalvo, F J","Synthesis and characterization of a new ternary nitride, Ca3 V N3","Journal of Solid State Chemistry","1992","98","","318","322","10.1016/S0022-4596(05)80240-3","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005058","3.74994","0.00006","3.4445","0.00006","12.4601","0.0002","90","","90","","90","","160.9","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Dicerium manganese(III) nitride","","- Ce2 Mn N3 -","- Ce2 Mn N3 -","- Ce4 Mn2 N6 -","2","0.125","","Niewa, R; Vajenine, G V; DiSalvo, F J; Haihua, Luo; Yelon, W B","Unusual Bonding in ternary nitrides: Preparation, structure and properties of Ce2 Mn N3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1998","53","","63","74","","","","","","","0.0512","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006000","5.8844","0.0006","5.8844","0.0006","23.05","0.003","90","","90","","120","","691.2","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Strontium dodecairon(III) oxide","","- Fe12 O19 Sr -","- Fe12 O19 Sr -","- Fe24 O38 Sr2 -","2","0.0833333","","Obradors, X; Solans, X; Collomb, A; Samaras, D; Rodriguez, J; Pernet, M; Font-Altaba, M","Crystal structure of strontium hexaferrite Sr Fe~12~ O~19~","Journal of Solid State Chemistry","1988","72","","218","224","10.1016/0022-4596(88)90025-4","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006001","3.8918","0.0002","3.8918","0.0002","11.6484","0.0008","90","","90","","90","","176.4","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Dibarium praseodymium(IV) tricopper oxide","","- Ba2 Cu3 O7 Pr -","- Ba2 Cu3 O7 Pr -","- Ba2 Cu3 O7 Pr -","1","0.0625","","Moran, E; Amador, U; Barahona, M; Alario-Franco, M A; Vegas, A; Rodriguez-Carvajal, J","Ba~2~ (Pr^4+^)~.3~ (Pr^3+^)~.7~ (Cu^3+^)~.7~ (Cu^2+^)~2.3~ O~7~: Crystal growth, structure and magnetic properties.","Physica C (Amsterdam) (152,1988-)","1988","153","","423","424","","","","","","","0.0424","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006002","5.8298","0.0002","5.8298","0.0002","22.859","0.001","90","","90","","120","","672.8","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium iron(III) aluminate *","","- Al2.18 Ba Fe9.82 O19 -","- Al2.18 Ba Fe9.82 O19 -","- Al4.36 Ba2 Fe19.64 O38 -","2","0.0833333","","Sandiumenge, F; Gali, S; Rodriguez, J","X-ray profile analysis of cation distribution in Sr Al~x~ Fe~12-x~ O~19~ solid solution","Materials Research Bulletin","1988","23","","685","692","10.1016/0025-5408(88)90033-5","","","","","","0.0785","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006003","5.7937","0.0006","5.7937","0.0006","22.763","0.001","90","","90","","120","","661.7","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium iron(III) aluminate *","","- Al4.05 Ba Fe7.95 O19 -","- Al4.05 Ba Fe7.95 O19 -","- Al8.1 Ba2 Fe15.9 O38 -","2","0.0833333","","Sandiumenge, F; Gali, S; Rodriguez, J","X-ray profile analysis of cation distribution in Sr Al~x~ Fe~12-x~ O~19~ solid solution","Materials Research Bulletin","1988","23","","685","692","10.1016/0025-5408(88)90033-5","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006004","5.7473","0.0005","5.7473","0.0005","22.585","0.001","90","","90","","120","","646.1","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium iron(III) aluminate *","","- Al6.36 Ba Fe5.64 O19 -","- Al6.36 Ba Fe5.64 O19 -","- Al12.72 Ba2 Fe11.28 O38 -","2","0.0833333","","Sandiumenge, F; Gali, S; Rodriguez, J","X-ray profile analysis of cation distribution in Sr Al~x~ Fe~12-x~ O~19~ solid solution","Materials Research Bulletin","1988","23","","685","692","10.1016/0025-5408(88)90033-5","","","","","","0.0753","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006005","5.6916","0.0005","5.6916","0.0005","22.403","0.001","90","","90","","120","","628.5","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium iron(III) aluminate *","","- Al8.56 Ba Fe3.44 O19 -","- Al8.56 Ba Fe3.44 O19 -","- Al17.12 Ba2 Fe6.88 O38 -","2","0.0833333","","Sandiumenge, F; Gali, S; Rodriguez, J","X-ray profile analysis of cation distribution in Sr Al~x~ Fe~12-x~ O~19~ solid solution","Materials Research Bulletin","1988","23","","685","692","10.1016/0025-5408(88)90033-5","","","","","","0.0753","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006006","5.6286","0.0002","5.6286","0.0001","22.203","0.001","90","","90","","120","","609.2","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium iron(III) aluminate *","","- Al9.86 Ba Fe2.14 O19 -","- Al9.856 Ba Fe2.144 O19 -","- Al19.712 Ba2 Fe4.288 O38 -","2","0.0833333","","Sandiumenge, F; Gali, S; Rodriguez, J","X-ray profile analysis of cation distribution in Sr Al~x~ Fe~12-x~ O~19~ solid solution","Materials Research Bulletin","1988","23","","685","692","10.1016/0025-5408(88)90033-5","","","","","","0.843","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006007","3.8918","0.0002","3.8918","0.0002","11.6484","0.0008","90","","90","","90","","176.4","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Barium praseodymium(IV) praseodymium(III) copper(III) copper(II) oxide (2/.3/.7/.7/2.3./7.1)","","- Ba2 Cu3 O7.1 Pr -","- Ba2 Cu3 O7.1 Pr -","- Ba2 Cu3 O7.1 Pr -","1","0.0625","","Moran, E; Amador, U; Barahona, M; Alario-Franco, M A; Vegas, A; Rodriguez-Carvajal, J","Ba~2~ Pr Cu~3~ O~7~: Crystal growth, structure and magnetic properties","Solid State Communications","1988","67","","369","372","10.1016/0038-1098(88)91047-2","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006008","3.8918","0.0002","3.8918","0.0002","11.6484","0.0008","90","","90","","90","","176.4","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Barium praseodymium(IV) praseodymium(III) copper(III) copper(II) oxide (2/.3/.7/.7/2.3./6.9)","","- Ba2 Cu3 O6.9 Pr -","- Ba2 Cu3 O6.9 Pr -","- Ba2 Cu3 O6.9 Pr -","1","0.0625","","Moran, E; Amador, U; Barahona, M; Alario-Franco, M A; Vegas, A; Rodriguez-Carvajal, J","Ba~2~ Pr Cu~3~ O~7~: Crystal growth, structure and magnetic properties","Solid State Communications","1988","67","","369","372","10.1016/0038-1098(88)91047-2","","","","","","0.0424","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006009","5.7993","0.0001","5.7993","0.0001","22.6584","0.0003","90","","90","","120","","660","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Strontium chromium gallium oxide (1/7.9/4.1/19)","","- Cr7.87 Ga4.13 O19 Sr -","- Cr7.8698 Ga4.1302 O19 Sr -","- Cr15.7396 Ga8.2604 O38 Sr2 -","2","0.0833333","","Obradors, X; Labarta, A; Isalgue, A; Tejada, J; Rodriguez, J; Pernet, M","Magnetic frustration and lattice dimensionality in Sr Cr~8~ Ga~4~ O~19~","Solid State Communications","1988","65","","189","192","10.1016/0038-1098(88)90885-X","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006010","5.4042","0.0005","5.578","0.0005","12.22","0.001","90","","90","","90","","368.4","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Dipraseodymium nickel oxide","","- Ni O4 Pr2 -","- Ni O4 Pr2 -","- Ni4 O16 Pr8 -","4","","","Puche, R S; Fernandez, F; Rodriguez Carvajal, J; Martinez, J L","Magnetic And X-Ray Diffraction Characterization of Stoichiometric Pr~2~ Ni O~4~ and Nd~2~ Ni O~4~ Oxides","Solid State Communications","1989","72","","273","277","10.1016/0038-1098(89)90809-0","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006011","5.3814","0.0005","5.585","0.0002","12.1143","0.0004","90","","90","","90","","364.1","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Dineodymium nickel oxide","","- Nd2 Ni O4 -","- Nd2 Ni O4 -","- Nd8 Ni4 O16 -","4","","","Puche, R S; Fernandez, F; Rodriguez Carvajal, J; Martinez, J L","Magnetic And X-Ray Diffraction Characterization of Stoichiometric Pr~2~ Ni O~4~ and Nd~2~ Ni O~4~ Oxides","Solid State Communications","1989","72","","273","277","10.1016/0038-1098(89)90809-0","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006012","5.373","0.002","33.907","0.006","23.966","0.004","90","","90","","90","","4366.2","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Bismuth strontium copper oxide (4/8/5/20.5)","","- Bi4 Cu5 O20.5 Sr8 -","- Bi4 Cu5 O20.5 Sr8 -","- Bi32 Cu40 O164 Sr64 -","8","0.25","","Fuertes, A; Miravitilles, C; Gonzales-Calbet, J; Vallet-Regi, M; Obradors, X; Rodriguez-Carvajal, J","The tubular crystal structure of the new phase Bi~4~ Sr~8~ Cu~5~ O~19+x~ related to the supercoducting perovskites","Physica C (Amsterdam) (152,1988-)","1989","157","","525","530","10.1016/0921-4534(89)90281-5","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006013","3.94224","0.00003","3.94224","0.00003","12.0603","0.0001","90","","90","","90","","187.4","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Neodymium cerium copper oxide (1.85/.15/1/4)","","- Ce0.15 Cu Nd1.85 O4 -","- Ce0.15 Cu Nd1.85 O4 -","- Ce0.3 Cu2 Nd3.7 O8 -","2","0.0625","","Paulus, E F; Yehia, I; Fuess, H; Rodriguez, J; Vogt, T; Stroebel, J; Klauda, M; Saemann-Ischenko, G","Crystal structure refinement of Nd~2-x~Ce~x~CuO~4~ (x=.05-.30) by x-ray (295K) and neutron (1.5K) powder diffraction","Solid State Communications","1990","73","11","791","795","10.1016/0038-1098(90)90172-8","","","","","","0.129","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006014","3.94056","0.00003","3.94056","0.00003","12.113","0.0001","90","","90","","90","","188.1","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Neodymium cerium copper oxide (1.95/.05/1/4)","","- Ce0.05 Cu Nd1.95 O4 -","- Ce0.05 Cu Nd1.95 O4 -","- Ce0.1 Cu2 Nd3.9 O8 -","2","0.0625","","Paulus, E F; Yehia, I; Fuess, H; Rodriguez, J; Vogt, T; Stroebel, J; Klauda, M; Saemann-Ischenko, G","Crystal structure refinement of Nd~2-x~Ce~x~CuO~4~ (x=.05-.30) by x-ray (295K) and neutron (1.5K) powder diffraction","Solid State Communications","1990","73","11","791","795","10.1016/0038-1098(90)90172-8","","","","","","0.0491","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006015","3.9435","0.0002","3.9435","0.0002","12.1272","0.001","90","","90","","90","","188.6","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Neodymium cerium copper oxide (1.95/.05/1/4)","","- Ce0.05 Cu Nd1.95 O4 -","- Ce0.05 Cu Nd1.95 O4 -","- Ce0.1 Cu2 Nd3.9 O8 -","2","0.0625","","Paulus, E F; Yehia, I; Fuess, H; Rodriguez, J; Vogt, T; Stroebel, J; Klauda, M; Saemann-Ischenko, G","Crystal structure refinement of Nd~2-x~Ce~x~CuO~4~ (x=.05-.30) by x-ray (295K) and neutron (1.5K) powder diffraction","Solid State Communications","1990","73","11","791","795","10.1016/0038-1098(90)90172-8","","","","","","0.0247","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006016","3.9407","0.00004","3.9407","0.00004","12.0945","0.0002","90","","90","","90","","187.8","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Neodymium cerium copper oxide (1.90/.10/1/4)","","- Ce0.1 Cu Nd1.9 O4 -","- Ce0.1 Cu Nd1.9 O4 -","- Ce0.2 Cu2 Nd3.8 O8 -","2","0.0625","","Paulus, E F; Yehia, I; Fuess, H; Rodriguez, J; Vogt, T; Stroebel, J; Klauda, M; Saemann-Ischenko, G","Crystal structure refinement of Nd~2-x~Ce~x~CuO~4~ (x=.05-.30) by x-ray (295K) and neutron (1.5K) powder diffraction","Solid State Communications","1990","73","11","791","795","10.1016/0038-1098(90)90172-8","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006017","3.9435","0.0003","3.9435","0.0003","12.1048","0.0012","90","","90","","90","","188.2","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Neodymium cerium copper oxide (1.90/.10/1/4)","","- Ce0.1 Cu Nd1.9 O4 -","- Ce0.1 Cu Nd1.9 O4 -","- Ce0.2 Cu2 Nd3.8 O8 -","2","0.0625","","Paulus, E F; Yehia, I; Fuess, H; Rodriguez, J; Vogt, T; Stroebel, J; Klauda, M; Saemann-Ischenko, G","Crystal structure refinement of Nd~2-x~Ce~x~CuO~4~ (x=.05-.30) by x-ray (295K) and neutron (1.5K) powder diffraction","Solid State Communications","1990","73","11","791","795","10.1016/0038-1098(90)90172-8","","","","","","0.0282","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006018","3.9457","0.0002","3.9457","0.0002","12.0764","0.0009","90","","90","","90","","188","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Neodymium cerium copper oxide (1.85/.15/1/4)","","- Ce0.15 Cu Nd1.85 O4 -","- Ce0.1 Cu Nd1.9 O4 -","- Ce0.2 Cu2 Nd3.8 O8 -","2","0.0625","","Paulus, E F; Yehia, I; Fuess, H; Rodriguez, J; Vogt, T; Stroebel, J; Klauda, M; Saemann-Ischenko, G","Crystal structure refinement of Nd~2-x~Ce~x~CuO~4~ (x=.05-.30) by x-ray (295K) and neutron (1.5K) powder diffraction","Solid State Communications","1990","73","11","791","795","10.1016/0038-1098(90)90172-8","","","","","","0.0258","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006019","3.94295","0.00003","3.94295","0.00003","12.03","0.001","90","","90","","90","","187","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Neodymium cerium copper oxide (1.80/.20/1/4)","","- Ce0.2 Cu Nd1.8 O4 -","- Ce0.2 Cu Nd1.8 O4 -","- Ce0.4 Cu2 Nd3.6 O8 -","2","0.0625","","Paulus, E F; Yehia, I; Fuess, H; Rodriguez, J; Vogt, T; Stroebel, J; Klauda, M; Saemann-Ischenko, G","Crystal structure refinement of Nd~2-x~Ce~x~CuO~4~ (x=.05-.30) by x-ray (295K) and neutron (1.5K) powder diffraction","Solid State Communications","1990","73","11","791","795","10.1016/0038-1098(90)90172-8","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006020","3.9481","0.0002","3.9481","0.0002","12.0524","0.0009","90","","90","","90","","187.9","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Neodymium cerium copper oxide (1.80/.20/1/4)","","- Ce0.2 Cu Nd1.8 O4 -","- Ce0.2 Cu Nd1.8 O4 -","- Ce0.4 Cu2 Nd3.6 O8 -","2","0.0625","","Paulus, E F; Yehia, I; Fuess, H; Rodriguez, J; Vogt, T; Stroebel, J; Klauda, M; Saemann-Ischenko, G","Crystal structure refinement of Nd~2-x~Ce~x~CuO~4~ (x=.05-.30) by x-ray (295K) and neutron (1.5K) powder diffraction","Solid State Communications","1990","73","11","791","795","10.1016/0038-1098(90)90172-8","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006021","3.94288","0.00003","3.94288","0.00003","12.0288","0.0002","90","","90","","90","","187","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Neodymium cerium copper oxide (1.70/.30/1/4)","","- Ce0.3 Cu Nd1.7 O4 -","- Ce0.3 Cu Nd1.7 O4 -","- Ce0.6 Cu2 Nd3.4 O8 -","2","0.0625","","Paulus, E F; Yehia, I; Fuess, H; Rodriguez, J; Vogt, T; Stroebel, J; Klauda, M; Saemann-Ischenko, G","Crystal structure refinement of Nd~2-x~Ce~x~CuO~4~ (x=.05-.30) by x-ray (295K) and neutron (1.5K) powder diffraction","Solid State Communications","1990","73","11","791","795","10.1016/0038-1098(90)90172-8","","","","","","0.0551","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006022","3.94616","0.00008","3.94616","0.00008","12.0441","0.0004","90","","90","","90","","187.6","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Neodymium cerium copper oxide (1.70/.30/1/4)","","- Ce0.3 Cu Nd1.7 O4 -","- Ce0.3 Cu Nd1.7 O4 -","- Ce0.6 Cu2 Nd3.4 O8 -","2","0.0625","","Paulus, E F; Yehia, I; Fuess, H; Rodriguez, J; Vogt, T; Stroebel, J; Klauda, M; Saemann-Ischenko, G","Crystal structure refinement of Nd~2-x~Ce~x~CuO~4~ (x=.05-.30) by x-ray (295K) and neutron (1.5K) powder diffraction","Solid State Communications","1990","73","11","791","795","10.1016/0038-1098(90)90172-8","","","","","","0.0267","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006023","5.5295","0.0003","11.2045","0.0006","5.4379","0.0003","90","","90","","90","","336.9","","","","","","","","","","","","","4","P c m 21","P 2c -2c","26","","Tricalcium titanium diiron(III) oxide","","- Ca3 Fe2 O8 Ti -","- Ca3 Fe2 O8 Ti -","- Ca6 Fe4 O16 Ti2 -","2","0.5","","Rodriguez Carvajal, J; Vallet Regi, M; Gonzalez Calbet, J M","Perovskite Threefold Superlattices: A Structure Determination of the A~3~ M~3~ O~8~ Phase","Materials Research Bulletin","1989","24","","423","430","10.1016/0025-5408(89)90023-8","","","","","","0.1281","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006024","5.4761","0.0002","11.1506","0.0004","5.3603","0.0002","90","","90","","90","","327.3","","","","","","","","","","","","","4","P c m 21","P 2c -2c","26","","Calcium manganese iron oxide (3/1.2/1.8/8)","","- Ca3 Fe1.8 Mn1.2 O8 -","- Ca3 Fe1.8 Mn1.2 O8 -","- Ca6 Fe3.6 Mn2.4 O16 -","2","0.5","","Rodriguez Carvajal, J; Vallet Regi, M; Gonzalez Calbet, J M","Perovskite Threefold Superlattices: A Structure Determination of the A~3~ M~3~ O~8~ Phase","Materials Research Bulletin","1989","24","","423","430","10.1016/0025-5408(89)90023-8","","","","","","0.0808","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006025","5.3876","0.0005","5.5883","0.0005","12.135","0.001","90","","90","","90","","365.4","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Dineodymium nickel oxide","","- Nd2 Ni O4 -","- Nd2 Ni O4 -","- Nd8 Ni4 O16 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L; Fernandez, F; Saez-Puche, R","Structural phase transitions and three-dimensional magnetic ordering in the Nd~2~NiO~4~ oxide","Europhysics Letters","1990","11","","261","268","10.1209/0295-5075/11/3/013","","","","","","0.0436","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006026","5.37325","0.00009","5.5913","0.0001","12.0976","0.0002","90","","90","","90","","363.5","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Dineodymium nickel oxide","","- Nd2 Ni O4 -","- Nd2 Ni O4 -","- Nd8 Ni4 O16 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L; Fernandez, F; Saez-Puche, R","Structural phase transitions and three-dimensional magnetic ordering in the Nd~2~NiO~4~ oxide","Europhysics Letters","1990","11","","261","268","10.1209/0295-5075/11/3/013","","","","","","0.0646","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006027","5.48","0.001","5.48","0.001","12.057","0.003","90","","90","","90","","362.1","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Dineodymium nickel oxide","","- Nd2 Ni O4 -","- Nd2 Ni O4 -","- Nd8 Ni4 O16 -","4","0.25","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L; Fernandez, F; Saez-Puche, R","Structural phase transitions and three-dimensional magnetic ordering in the Nd~2~NiO~4~ oxide","Europhysics Letters","1990","11","","261","268","10.1209/0295-5075/11/3/013","","","","","","0.0733","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1006028","8.4989","0.0001","8.4989","0.0001","5.7973","0.0001","90","","90","","90","","418.7","","","","1.5","","","","","","","","Synthetic","3","P 4/n c c :2","-P 4a 2ac","130","","Dibismuth copper oxide","Kusachiite","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D","Crystal and magnetic structures of Bi~2~CuO~4~","Journal of Physics: Condensed Matter","1990","2","","2205","2214","10.1088/0953-8984/2/9/010","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1006029","8.4988","0.0001","8.4988","0.0001","5.7976","0.0001","90","","90","","90","","418.8","","","","30","","","","","","","","Synthetic","3","P 4/n c c :2","-P 4a 2ac","130","","Dibismuth copper oxide","Kusachiite","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D","Crystal and magnetic structures of Bi~2~CuO~4~","Journal of Physics: Condensed Matter","1990","2","","2205","2214","10.1088/0953-8984/2/9/010","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1006030","8.4987","0.0001","8.4987","0.0001","5.7999","0.0001","90","","90","","90","","418.9","","","","75","","","","","","","","Synthetic","3","P 4/n c c :2","-P 4a 2ac","130","","Dibismuth copper oxide","Kusachiite","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D","Crystal and magnetic structures of Bi~2~CuO~4~","Journal of Physics: Condensed Matter","1990","2","","2205","2214","10.1088/0953-8984/2/9/010","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1006031","8.5039","0.0001","8.5039","0.0001","5.8202","0.0001","90","","90","","90","","420.9","","","","290","","","","","","","","Synthetic","3","P 4/n c c :2","-P 4a 2ac","130","","Dibismuth copper oxide","Kusachiite","- Bi2 Cu O4 -","- Bi2 Cu O4 -","- Bi8 Cu4 O16 -","4","0.25","","Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D","Crystal and magnetic structures of Bi~2~CuO~4~","Journal of Physics: Condensed Matter","1990","2","","2205","2214","10.1088/0953-8984/2/9/010","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1006032","5.3956","0.0002","5.431","0.0002","15.6573","0.0007","90","","90","","90","","458.8","","","","","","","","","","","","","6","C m m m","-C 2 2","65","","Lead strontium yttrium nickel copper oxide (2/2/1/0.8/2.2/8)","","- Cu2.2 Ni0.8 O8 Pb2 Sr2 Y -","- Cu2.2 Ni0.8 O8 Pb2 Sr2 Y -","- Cu4.4 Ni1.6 O16 Pb4 Sr4 Y2 -","2","0.125","","Amador, U.; García-Alvarado, F.; Morán, E.; Alario-Franco, M. A.; Rodriguez-Carjaval, J.","A structural study of Ni-substituted Pb~2~Sr~2~YCu~3~O~8+δ~","Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands)","1990","165","5-6","499","504","10.1016/0921-4534(90)90388-U","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","200133","2020-10-21","18:00:00",""
"1006033","5.4035","0.0003","5.4386","0.0003","15.6965","0.0008","90","","90","","90","","461.3","","","","","","","","","","","","","6","C m m m","-C 2 2","65","","Lead strontium yttrium nickel copper oxide (2/2/1/0.8/2.2/8)","","- Cu2.2 Ni0.8 O8 Pb2 Sr2 Y -","- Cu2.2 Ni0.8 O8 Pb2 Sr2 Y -","- Cu4.4 Ni1.6 O16 Pb4 Sr4 Y2 -","2","0.125","","Amador, U.; García-Alvarado, F.; Morán, E.; Alario-Franco, M. A.; Rodriguez-Carjaval, J.","A structural study of Ni-substituted Pb~2~Sr~2~YCu~3~O~8+δ~","Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands)","1990","165","5-6","499","504","10.1016/0921-4534(90)90388-U","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","200133","2020-10-21","18:00:00",""
"1006034","3.7472","0.0001","5.7293","0.0001","11.2755","0.0002","90","","90","","90","","242.1","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Dierbium barium nickel oxide","","- Ba Er2 Ni O5 -","- Ba Er2 Ni O5 -","- Ba2 Er4 Ni2 O10 -","2","0.125","","Alonso, J A; Amador, J; Martinez, J L; Rasines, I; Rodriguez-Carvajal, J; Saez-Puche, R","Neutron diffraction study of the magnetic structure of Er~2~BaNiO~5~","Solid State Communications","1990","76","4","467","474","10.1016/0038-1098(90)90651-Q","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006035","3.7464","0.0001","5.7289","0.0001","11.2741","0.0002","90","","90","","90","","242","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Dierbium barium nickel oxide","","- Ba Er2 Ni O5 -","- Ba Er2 Ni O5 -","- Ba2 Er4 Ni2 O10 -","2","0.125","","Alonso, J A; Amador, J; Martinez, J L; Rasines, I; Rodriguez-Carvajal, J; Saez-Puche, R","Neutron diffraction study of the magnetic structure of Er~2~BaNiO~5~","Solid State Communications","1990","76","4","467","474","10.1016/0038-1098(90)90651-Q","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006036","12.2003","0.0002","5.65845","0.00006","6.9745","0.0001","90","","90","","90","","481.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dithulium barium niccolate","","- Ba Ni O5 Tm2 -","- Ba Ni O5 Tm2 -","- Ba4 Ni4 O20 Tm8 -","4","0.5","","Salinas-Sanchez, A; Saez-Puche, R; Rodriguez-Carvajal, J; Martinez, J L","Structural characterization of R~2~BaNiO~5~ (R=Tm and Yb): polymorphism for R=Tm","Solid State Communications","1991","78","6","481","488","10.1016/0038-1098(91)90361-X","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006037","3.75128","0.00004","5.7214","0.0001","11.2456","0.0002","90","","90","","90","","241.4","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Dithulium barium niccolate","","- Ba Ni O5 Tm2 -","- Ba Ni O5 Tm2 -","- Ba2 Ni2 O10 Tm4 -","2","0.125","","Salinas-Sanchez, A; Saez-Puche, R; Rodriguez-Carvajal, J; Martinez, J L","Structural characterization of R~2~BaNiO~5~ (R=Tm and Yb): polymorphism for R=Tm","Solid State Communications","1991","78","6","481","488","10.1016/0038-1098(91)90361-X","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006038","12.1583","0.0002","5.64232","0.00006","6.9545","0.0001","90","","90","","90","","477.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diytterbium barium niccolate","","- Ba Ni O5 Yb2 -","- Ba Ni O5 Yb2 -","- Ba4 Ni4 O20 Yb8 -","4","0.5","","Salinas-Sanchez, A; Saez-Puche, R; Rodriguez-Carvajal, J; Martinez, J L","Structural characterization of R~2~BaNiO~5~ (R=Tm and Yb): polymorphism for R=Tm","Solid State Communications","1991","78","6","481","488","10.1016/0038-1098(91)90361-X","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006039","7.7063","0.0004","7.6568","0.0003","5.7889","0.0002","90","","90.434","0.003","90","","341.6","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Potassium tetrafluoromanganate(III)","","- F4 K Mn -","- F4 K Mn -","- F16 K4 Mn4 -","4","1","","Morón, M. C.; Palacio, F.; Rodriguez-Carvajal, J.","Neutron powder diffraction experiments on AMnF~4~ (A = K, Rb): nuclear and magnetic structures","Physica B: Condensed Matter","1992","180","","125","127","10.1016/0921-4526(92)90681-H","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","174781","2020-10-21","18:00:00",""
"1006040","13.7546","0.0014","6.1406","0.0005","10.3343","0.0012","90","","104.23","0.005","90","","846.1","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Potassium tetrafluoromanganate(III) hydrate","","- F4 H2 K Mn O -","- F4 H2 K Mn O -","- F32 H16 K8 Mn8 O8 -","8","1","","Palacio, F; Andres, M; Rodriguez-Carvajal, J; Pannetier, J","Magnetic structures of the MnIII weak ferromagnets AMnF~4~.H~2~O (A=Rb and K)","Journal of Physics: Condensed Matter","1991","3","","2379","2390","10.1088/0953-8984/3/14/017","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006041","13.8323","0.0004","6.4285","0.0002","10.4837","0.0003","90","","103.98","0.002","90","","904.6","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Rubidium tetrafluoromanganate(III) hydrate","","- F4 H2 Mn O Rb -","- F4 H2 Mn O Rb -","- F32 H16 Mn8 O8 Rb8 -","8","1","","Palacio, F; Andres, M; Rodriguez-Carvajal, J; Pannetier, J","Magnetic structures of the MnIII weak ferromagnets AMnF~4~.H~2~O (A=Rb and K)","Journal of Physics: Condensed Matter","1991","3","","2379","2390","10.1088/0953-8984/3/14/017","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006042","5.4618","0.0005","5.4967","0.0005","12.561","0.002","90","","90","","90","","377.1","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Lanthanum nickel oxide","","- La2 Ni O4 -","- La2 Ni O4 -","- La8 Ni4 O16 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006043","5.4995","0.0001","5.4995","0.0001","12.5052","0.0002","90","","90","","90","","378.2","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Lanthanum nickel oxide","","- La2 Ni O4 -","- La2 Ni O4 -","- La8 Ni4 O16 -","4","0.25","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1006044","5.4419","0.0001","5.5364","0.0001","12.4896","0.0002","90","","90","","90","","376.3","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Lanthanum nickel oxide","","- La2 Ni O4 -","- La2 Ni O4 -","- La8 Ni4 O16 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006045","5.4499","0.0002","5.5275","0.0002","12.5118","0.0003","90","","90","","90","","376.9","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Lanthanum nickel oxide","","- La2 Ni O4 -","- La2 Ni O4 -","- La8 Ni4 O16 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006046","5.6226","0.0001","5.7199","0.0001","7.9689","0.0002","90","","89.796","0.009","90","","256.3","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dilanthanum lithium antimony(V) oxide","","- La2 Li O6 Sb -","- La2 Li O6 Sb -","- La4 Li2 O12 Sb2 -","2","0.5","","Lopez, M L; Veiga, M L; Rodriguez-Carvajal, J; Fernandez, F; Jerez, A; Pico, C","The monoclinic perovskite La~2~LiSbO~6~. A Rietveld refinement of neutron powder diffraction data","Materials Research Bulletin","1992","27","","647","654","10.1016/0025-5408(92)90154-R","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006047","5.45514","0.00004","5.45514","0.00004","12.6461","0.0001","90","","90","","90","","376.3","","","","","","","","","","","","","3","I 4/m m m (a+b,-a+b,c)","-I 4 2 (1/2*x+1/2*y,-1/2*x+1/2*y,z)","139","","Lanthanum nickel oxide (2/1/4.2)","","- La2 Ni O4.15 -","- La2 Ni O4.1512 -","- La8 Ni4 O16.6048 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1006048","5.4897","0.0003","5.4897","0.0003","12.5708","0.0007","90","","90","","90","","378.8","","","","","","","","","","","","","3","I 4/m m m (a+b,-a+b,c)","-I 4 2 (1/2*x+1/2*y,-1/2*x+1/2*y,z)","139","","Lanthanum nickel oxide (2/1/4.1)","","- La2 Ni O4.1 -","- La2 Ni O4.1 -","- La8 Ni4 O16.4 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1006049","5.3671","0.0001","33.9719","0.0006","24.0722","0.0004","90","","90","","90","","4389.1","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Bismuth strontium copper oxide (4/7.9/5/19.1)","","- Bi4 Cu5 O19.06 Sr7.86 -","- Bi4 Cu5 O19.06 Sr7.86 -","- Bi32 Cu40 O152.48 Sr62.88 -","8","0.25","","Caldes, M T; Navarro, J M; Perez, F; Carrera, M; Fontcuberta, J; Casan-Pastor, N; Miravitlles, C; Obradors, X; Rodriguez-Carjaval, J; Gonzalez-Calbet, J M; Vallet-Regi, M; Garcia, A; Fuertes, A","Electron microscopy, neutron diffraction and physical properties ofBi~4~Sr~8~Cu~5~O~19+y~","Chemistry of Materials (1,1989-","1991","3","5","844","852","10.1021/cm00017a020","","","","","","0.014","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006050","3.671","","33.9719","","24.0722","","90","","90","","90","","3002.1","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Bismuth strontium copper oxide (4/7.9/5/19.1)","","- Bi4 Cu5 O19.06 Sr7.86 -","- Bi4 Cu5 O19.06 Sr7.86 -","- Bi32 Cu40 O152.48 Sr62.88 -","8","0.25","","Caldes, M T; Navarro, J M; Fuertes, A; Obradors, X; Miravitlles, C; Rodriguez-Carvajal, J; Vallet, M; Gonzalez-Calbet, J","High resolution neutron powder diffraction study of the tubular phase Bi~4~Sr~8~Cu~5~O~19+x~","Materials Research Society Symposia Proceedings","1990","169","","133","138","10.1557/PROC-169-133","","","","","","0.014","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006051","12.2061","0.0002","5.6732","0.0001","7.1355","0.0001","90","","90","","90","","494.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Didysprosium barium copper oxide","","- Ba Cu Dy2 O5 -","- Ba Cu Dy2 O5 -","- Ba4 Cu4 Dy8 O20 -","4","0.5","","Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L","Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction","Journal of Solid State Chemistry","1992","100","","201","211","10.1016/0022-4596(92)90094-C","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006052","12.1825","0.0001","5.663","0.0001","7.1336","0.0001","90","","90","","90","","492.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diholmium barium copper oxide","","- Ba Cu Ho2 O5 -","- Ba Cu Ho2 O5 -","- Ba4 Cu4 Ho8 O20 -","4","0.5","","Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L","Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction","Journal of Solid State Chemistry","1992","100","","201","211","10.1016/0022-4596(92)90094-C","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006053","12.1792","0.0002","5.659","0.0001","7.1325","0.0001","90","","90","","90","","491.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diyttrium barium copper oxide","","- Ba Cu O5 Y2 -","- Ba Cu O5 Y2 -","- Ba4 Cu4 O20 Y8 -","4","0.5","","Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L","Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction","Journal of Solid State Chemistry","1992","100","","201","211","10.1016/0022-4596(92)90094-C","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006054","12.1423","0.0002","5.6459","0.0001","7.1072","0.0001","90","","90","","90","","487.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dierbium barium copper oxide","","- Ba Cu Er2 O5 -","- Ba Cu Er2 O5 -","- Ba4 Cu4 Er8 O20 -","4","0.5","","Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L","Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction","Journal of Solid State Chemistry","1992","100","","201","211","10.1016/0022-4596(92)90094-C","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006055","12.1011","0.0002","5.6275","0.0001","7.0793","0.0001","90","","90","","90","","482.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dithulium barium copper oxide","","- Ba Cu O5 Tm2 -","- Ba Cu O5 Tm2 -","- Ba4 Cu4 O20 Tm8 -","4","0.5","","Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L","Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction","Journal of Solid State Chemistry","1992","100","","201","211","10.1016/0022-4596(92)90094-C","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006056","12.0652","0.0001","5.6152","0.0001","7.0569","0.0001","90","","90","","90","","478.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diytterbium barium copper oxide","","- Ba Cu O5 Yb2 -","- Ba Cu O5 Yb2 -","- Ba4 Cu4 O20 Yb8 -","4","0.5","","Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L","Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction","Journal of Solid State Chemistry","1992","100","","201","211","10.1016/0022-4596(92)90094-C","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006057","12.0342","0.0002","5.6003","0.0001","7.0395","0.0001","90","","90","","90","","474.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dilutetium barium copper oxide","","- Ba Cu Lu2 O5 -","- Ba Cu Lu2 O5 -","- Ba4 Cu4 Lu8 O20 -","4","0.5","","Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L","Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction","Journal of Solid State Chemistry","1992","100","","201","211","10.1016/0022-4596(92)90094-C","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006058","5.49","0.01","5.49","0.01","12.17","0.02","90","","90","","90","","366.8","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Praseodymium nickel oxide","","- Ni O4 Pr2 -","- Ni O4 Pr2 -","- Ni4 O16 Pr8 -","4","0.25","","Fernandez-Diaz, M T; Martinez, J L; Rodriguez-Carvajal, J; Beille, J; Martinez, B; Obradors, X; Odier, P","Metamagnetism in single-crystal Pr2NiO4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","47","","5834","5840","10.1103/PhysRevB.47.5834","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1006059","3.75124","0.00004","5.7214","0.00008","11.2456","0.0001","90","","90","","90","","241.4","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Dithulium barium nickel oxide","","- Ba Ni O5 Tm2 -","- Ba Ni O5 Tm2 -","- Ba2 Ni2 O10 Tm4 -","2","0.125","","Garcia-Matres, E; Rodriguez-Carvajal, J; Martinez, J L; Alonso, J A; Salinas-Sanchez, A; Saez-Puche, R","Polymorphism in the oxides R~2~NaNiO~5~ (R= Tm, Yb, Lu)","Solid State Ionics","1993","63","","915","921","","","","","","","0.0456","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006060","3.74482","0.00004","5.70668","0.00008","11.04","0.001","90","","90","","90","","235.9","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Diytterbium barium nickel oxide","","- Ba Ni O5 Yb2 -","- Ba Ni O5 Yb2 -","- Ba2 Ni2 O10 Yb4 -","2","0.125","","Garcia-Matres, E; Rodriguez-Carvajal, J; Martinez, J L; Alonso, J A; Salinas-Sanchez, A; Saez-Puche, R","Polymorphism in the oxides R~2~NaNiO~5~ (R= Tm, Yb, Lu)","Solid State Ionics","1993","63","","915","921","","","","","","","0.0233","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006061","12.2003","0.0002","5.6585","0.0001","6.9744","0.0001","90","","90","","90","","481.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dithulium barium nickel oxide","","- Ba Ni O5 Tm2 -","- Ba Ni O5 Tm2 -","- Ba4 Ni4 O20 Tm8 -","4","0.5","","Garcia-Matres, E; Rodriguez-Carvajal, J; Martinez, J L; Alonso, J A; Salinas-Sanchez, A; Saez-Puche, R","Polymorphism in the oxides R~2~NaNiO~5~ (R= Tm, Yb, Lu)","Solid State Ionics","1993","63","","915","921","","","","","","","0.0335","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006062","12.1581","0.0001","5.6423","0.0001","6.9545","0.0001","90","","90","","90","","477.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diytterbium barium nickel oxide","","- Ba Ni O5 Yb2 -","- Ba Ni O5 Yb2 -","- Ba4 Ni4 O20 Yb8 -","4","0.5","","Garcia-Matres, E; Rodriguez-Carvajal, J; Martinez, J L; Alonso, J A; Salinas-Sanchez, A; Saez-Puche, R","Polymorphism in the oxides R~2~NaNiO~5~ (R= Tm, Yb, Lu)","Solid State Ionics","1993","63","","915","921","","","","","","","0.0267","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006063","8.3978","0.0006","8.3978","0.0006","8.3978","0.0006","90","","90","","90","","592.2","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Magnesium iron oxide (1.6/1.6/4)","Magnesioferrite","- Fe1.6 Mg1.55 O4 -","- Fe1.6 Mg1.55 O4 -","- Fe12.8 Mg12.4 O32 -","8","0.0416667","","Blesa, M. C.; Amador, U.; Moran, E.; Menendez, N.; Tornero, J. D.; Rodriguez-Carvajal J","Synthesis and characterization of nickel and magnesium ferrites obtained from alpha-NaFeO2","Solid State Ionics","1993","63","","429","436","","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1006064","3.75453","0.00007","5.7319","0.0004","11.2715","0.0004","90","","90","","90","","242.6","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Diholmium barium nickel oxide","","- Ba Ho2 Ni O5 -","- Ba Ho2 Ni O5 -","- Ba2 Ho4 Ni2 O10 -","2","0.125","","Garcia-Matres, E; Rodriguez-Carvajal, J; Martinez, J L","Magnetic stucture of Ho~2~BaNiO~5~","Solid State Communications","1993","85","7","553","559","10.1016/0038-1098(93)90306-8","","","","","","0.0129","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006065","5.9062","0.0003","5.9062","0.0003","23.342","0.003","90","","90","","120","","705.2","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Barium iron cobalt titanium oxide (1/3.8/4.1/4.1/19)","","- Ba Co4.1 Fe3.84 O19 Ti4.06 -","- Ba Co4.1 Fe3.84 O19 Ti4.06 -","- Ba2 Co8.2 Fe7.68 O38 Ti8.12 -","2","0.0833333","","Cabanas, M V; Gonzalez-Calbet, J M; Rodriguez-Carvajal, J; Vallet-Regi, M","The solid solution BaFe~12-2x~Co~x~Ti~x~O~19~ (0<x<6): cationic distribution by neutron diffraction","Journal of Solid State Chemistry","1994","111","","229","237","10.1006/jssc.1994.1222","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006066","5.9174","0.0008","5.9174","0.0008","23.368","0.006","90","","90","","120","","708.6","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium cobalt titanium oxide (1/6/6/19)","","- Ba Co6.01 O19 Ti5.99 -","- Ba Co6.01 O19 Ti5.99 -","- Ba2 Co12.02 O38 Ti11.98 -","2","0.0833333","","Cabanas, M V; Gonzalez-Calbet, J M; Rodriguez-Carvajal, J; Vallet-Regi, M","The solid solution BaFe~12-2x~Co~x~Ti~x~O~19~ (0<x<6): cationic distribution by neutron diffraction","Journal of Solid State Chemistry","1994","111","","229","237","10.1006/jssc.1994.1222","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006067","3.94275","0.00005","3.94275","0.00005","18.87889","0.0003","90","","90","","120","","254.2","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lanthanum uranium oxide (1.2/0.8/4) - R~III~","","- La1.2 O4 U0.8 -","- La1.2 O4 U0.8 -","- La3.6 O12 U2.4 -","3","0.0833333","","Rojas, R M; Herrero, P; Garcia Chain, P J; Rodriguez-Carvajal, J","Structural study of the rhombohedral fluorite-related R~III~ phase U~1- y~La~y~O~2+x~, 0.56<y<0.67","Journal of Solid State Chemistry","1994","112","","322","328","10.1006/jssc.1994.1312","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006068","3.7423","0.0002","5.7416","0.0003","11.2729","0.0007","90","","90","","90","","242.2","","","","","","","","","","","","","5","I m m m","-I 2 2","71","","Erbium calcium barium nickel oxide (1.8/0.2/1/1/5)","","- Ba Ca0.22 Er1.78 Ni O5 -","- Ba Ca0.224 Er1.776 Ni O5 -","- Ba2 Ca0.448 Er3.552 Ni2 O10 -","2","0.125","","Alonso, J A; Rasines, I; Rodriguez-Carvajal, J; Torrance, J B","Hole and electron doping of R~2~BaNiO~5~ (R=rare earths)","Journal of Solid State Chemistry","1994","109","","231","240","10.1006/jssc.1994.1098","","","","","","0.0324","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006069","3.7342","0.0002","5.7486","0.0003","11.2625","0.0008","90","","90","","90","","241.8","","","","","","","","","","","","","5","I m m m","-I 2 2","71","","Erbium calcium barium nickel oxide (1.6/0.4/1/1/5)","","- Ba Ca0.36 Er1.64 Ni O5 -","- Ba Ca0.36 Er1.64 Ni O5 -","- Ba2 Ca0.72 Er3.28 Ni2 O10 -","2","0.125","","Alonso, J A; Rasines, I; Rodriguez-Carvajal, J; Torrance, J B","Hole and electron doping of R~2~BaNiO~5~ (R=rare earths)","Journal of Solid State Chemistry","1994","109","","231","240","10.1006/jssc.1994.1098","","","","","","0.0281","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006070","3.7106","0.0002","5.7461","0.0004","11.3007","0.0008","90","","90","","90","","240.9","","","","","","","","","","","","","5","I m m m","-I 2 2","71","","Erbium calcium barium nickel oxide (1.8/0.2/1/1/4.8)","","- Ba Ca0.19 Er1.81 Ni O4.76 -","- Ba Ca0.19 Er1.81 Ni O4.76 -","- Ba2 Ca0.38 Er3.62 Ni2 O9.52 -","2","0.125","","Alonso, J A; Rasines, I; Rodriguez-Carvajal, J; Torrance, J B","Hole and electron doping of R~2~BaNiO~5~ (R=rare earths)","Journal of Solid State Chemistry","1994","109","","231","240","10.1006/jssc.1994.1098","","","","","","0.0091","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006071","3.6876","0.0003","5.7467","0.0004","11.3012","0.0008","90","","90","","90","","239.5","","","","","","","","","","","","","5","I m m m","-I 2 2","71","","Erbium calcium barium nickel oxide (1.7/0.3/1/1/4.6)","","- Ba Ca0.34 Er1.66 Ni O4.58 -","- Ba Ca0.34 Er1.66 Ni O4.58 -","- Ba2 Ca0.68 Er3.32 Ni2 O9.16 -","2","0.125","","Alonso, J A; Rasines, I; Rodriguez-Carvajal, J; Torrance, J B","Hole and electron doping of R~2~BaNiO~5~ (R=rare earths)","Journal of Solid State Chemistry","1994","109","","231","240","10.1006/jssc.1994.1098","","","","","","0.0117","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006072","3.65447","0.00005","2.86022","0.00003","9.3774","0.0001","90","","90","","90","","98","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Dilithium copper oxide","","- Cu Li2 O2 -","- Cu Li2 O2 -","- Cu2 Li4 O4 -","2","0.125","","Sapina, F; Rodriguez-Carvajal, J; Sanchis, M J; Ibanez, R; Beltran, A; Beltran, D","Crystal and magnetic structure of Li2 Cu O2","Solid State Communications","1990","74","","779","784","10.1016/0038-1098(90)90934-4","","","","","","0.0313","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006073","3.66153","0.00005","2.86277","0.00002","9.39258","0.00009","90","","90","","90","","98.5","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Dilithium copper oxide","","- Cu Li2 O2 -","- Cu Li2 O2 -","- Cu2 Li4 O4 -","2","0.125","","Sapina, F; Rodriguez-Carvajal, J; Sanchis, M J; Ibanez, R; Beltran, A; Beltran, D","Crystal and magnetic structure of Li2 Cu O2","Solid State Communications","1990","74","","779","784","10.1016/0038-1098(90)90934-4","","","","","","0.0349","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006074","3.9367","0.0003","3.9367","0.0003","15.805","0.002","90","","90","","90","","244.9","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Dilanthanum dibarium dicopper dititanium oxide","","- Ba2 Cu2 La2 O11 Ti2 -","- Ba2 Cu2 La2 O11 Ti2 -","- Ba2 Cu2 La2 O11 Ti2 -","1","0.0625","","Gomez-Romero, P; Palacin, M R; Rodriguez-Carvajal, J","Crystal structure refinement of the layered copper-titanium perovskites Ln2 Ba2 Cu2 Ti2 O11 (Ln=La, Nd) from neutron powder diffraction data","Chemistry of Materials (1,1989-","1994","6","","2118","2122","10.1021/cm00047a036","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006075","3.91275","0.00006","3.91275","0.00006","15.7614","0.0003","90","","90","","90","","241.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Dineodymium dibarium dicopper dititanium oxide","","- Ba2 Cu2 Nd2 O11 Ti2 -","- Ba2 Cu2 Nd2 O11 Ti2 -","- Ba2 Cu2 Nd2 O11 Ti2 -","1","0.0625","","Gomez-Romero, P; Palacin, M R; Rodriguez-Carvajal, J","Crystal structure refinement of the layered copper-titanium perovskites Ln2 Ba2 Cu2 Ti2 O11 (Ln=La, Nd) from neutron powder diffraction data","Chemistry of Materials (1,1989-","1994","6","","2118","2122","10.1021/cm00047a036","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006076","3.85174","0.00004","3.85174","0.00004","35.65889","0.0004","90","","90","","90","","529","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Thallium barium calcium copper oxide (2/2/2/3/10)","","- Ba2 Ca1.856 Cu3.276 O10 Tl1.864 -","- Ba2 Ca1.856 Cu3.276 O10 Tl1.864 -","- Ba4 Ca3.712 Cu6.552 O20 Tl3.728 -","2","0.0625","","Sinclair, D C; Aranda, M A G; Attfield, P; Rodriguez-Carvajal, J","Cation distribution and composition of the Tl-2223 superconductor from combined powder neutron and resonant X-ray diffraction","Physica C (Amsterdam) (152,1988-)","1994","225","","307","316","10.1016/0921-4534(94)90728-5","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006077","5.39","0.001","5.39","0.001","8.503","0.001","90","","90","","120","","213.9","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Lanthanum nickel cobalt deuteride (1/4/1/6.1)","","- Co D6.12 La Ni4 -","- Co D6.1197 La Ni4 -","- Co2 D12.2394 La2 Ni8 -","2","0.166667","","Latroche, M; Rodriguez-Carvajal, J; Percheron-Guegan, A; Bouree-Vigneron, F","Structural studies of La Ni4 Co D6.11 and La Ni3.55 Mn0.4 Al0.3 Co0.75 D5.57 by means of neutron powder diffraction","Journal of Alloys Compd.","1995","218","","64","72","10.1016/0925-8388(94)01366-7","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006078","5.383","0.001","5.383","0.001","4.277","0.001","90","","90","","120","","107.3","","","","","","","","","","","","","6","P 6/m m m","-P 6 2","191","","Lanthanum nickel manganese aluminium cobalt deuteride (1/3.6/0.4/0.3/0.8/5.6)","","- Al0.3 Co0.749 D5.56 La Mn0.4 Ni3.548 -","- Al0.3 Co0.749 D5.5554 La Mn0.4 Ni3.548 -","- Al0.3 Co0.749 D5.5554 La Mn0.4 Ni3.548 -","1","0.0416667","","Latroche, M; Rodriguez-Carvajal, J; Percheron-Guegan, A; Bouree-Vigneron, F","Structural studies of La Ni4 Co D6.11 and La Ni3.55 Mn0.4 Al0.3 Co0.75 D5.57 by means of neutron powder diffraction","Journal of Alloys Compd.","1995","218","","64","72","10.1016/0925-8388(94)01366-7","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006079","4.2364","0.0004","4.2364","0.0004","4.2364","0.0004","90","","90","","90","","76","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ammonium trifluoromanganate(II)","","- F3 H4 Mn N -","- F3 H8.0008 Mn N -","- F3 H8.0008 Mn N -","1","0.0208333","","Rubin, J; Palacios, E; Bartolome, J; Rodriguez-Carvajal, J","A single-crystal neutron diffraction study of N H4 Mn F3","Journal of Physics: Condensed Matter","1995","7","","563","575","10.1088/0953-8984/7/3/011","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006080","4.2364","0.0004","4.2364","0.0004","4.2364","0.0004","90","","90","","90","","76","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ammonium trifluoromanganate(II)","","- F3 H4 Mn N -","- F3 H4.0833 Mn N -","- F3 H4.0833 Mn N -","1","0.0208333","","Rubin, J; Palacios, E; Bartolome, J; Rodriguez-Carvajal, J","A single-crystal neutron diffraction study of N H4 Mn F3","Journal of Physics: Condensed Matter","1995","7","","563","575","10.1088/0953-8984/7/3/011","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006081","5.952","0.001","8.543","0.001","5.949","0.001","90","","90","","90","","302.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium trifluoromanganate(II)","","- F3 H4 Mn N -","- F3 H8.0495 Mn N -","- F12 H32.198 Mn4 N4 -","4","0.5","","Rubin, J; Palacios, E; Bartolome, J; Rodriguez-Carvajal, J","A single-crystal neutron diffraction study of N H4 Mn F3","Journal of Physics: Condensed Matter","1995","7","","563","575","10.1088/0953-8984/7/3/011","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006082","5.952","0.001","8.543","0.001","5.949","0.001","90","","90","","90","","302.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium trifluoromanganate(II)","","- F3 H4 Mn N -","- F3 H8.037 Mn N -","- F12 H32.148 Mn4 N4 -","4","0.5","","Rubin, J; Palacios, E; Bartolome, J; Rodriguez-Carvajal, J","A single-crystal neutron diffraction study of N H4 Mn F3","Journal of Physics: Condensed Matter","1995","7","","563","575","10.1088/0953-8984/7/3/011","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006083","10.8096","0.0002","3.4962","0.0001","12.4735","0.0002","90","","90","","90","","471.4","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Diholmium dicopper oxide","","- Cu2 Ho2 O5 -","- Cu2 Ho2 O5 -","- Cu8 Ho8 O20 -","4","1","","Garcia-Munoz, J L; Rodriguez-Carvajal, J","Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction","Journal of Solid State Chemistry","1995","115","","324","331","10.1006/jssc.1995.1141","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006084","10.796","0.002","3.494","0.001","12.4546","0.0002","90","","90","","90","","469.8","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Diyttrium dicopper oxide","","- Cu2 O5 Y2 -","- Cu2 O5 Y2 -","- Cu8 O20 Y8 -","4","1","","Garcia-Munoz, J L; Rodriguez-Carvajal, J","Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction","Journal of Solid State Chemistry","1995","115","","324","331","10.1006/jssc.1995.1141","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006085","10.7839","0.0002","3.4745","0.0001","12.4434","0.0003","90","","90","","90","","466.2","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Dierbium dicopper oxide","","- Cu2 Er2 O5 -","- Cu2 Er2 O5 -","- Cu8 Er8 O20 -","4","1","","Garcia-Munoz, J L; Rodriguez-Carvajal, J","Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction","Journal of Solid State Chemistry","1995","115","","324","331","10.1006/jssc.1995.1141","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006086","10.7353","0.0001","3.4575","0.0001","12.3704","0.0002","90","","90","","90","","459.2","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Dithulium dicopper oxide","","- Cu2 O5 Tm2 -","- Cu2 O5 Tm2 -","- Cu8 O20 Tm8 -","4","1","","Garcia-Munoz, J L; Rodriguez-Carvajal, J","Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction","Journal of Solid State Chemistry","1995","115","","324","331","10.1006/jssc.1995.1141","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006087","10.729","0.0001","3.4355","0.0001","12.3531","0.0001","90","","90","","90","","455.3","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Diytterbium dicopper oxide","","- Cu2 O5 Yb2 -","- Cu2 O5 Yb2 -","- Cu8 O20 Yb8 -","4","1","","Garcia-Munoz, J L; Rodriguez-Carvajal, J","Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction","Journal of Solid State Chemistry","1995","115","","324","331","10.1006/jssc.1995.1141","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006088","14.097","0.006","5.613","0.002","5.123","0.002","90","","90","","90","","405.4","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Copper diniobate","","- Cu Nb2 O6 -","- Cu Nb2 O6 -","- Cu4 Nb8 O24 -","4","0.5","","Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H","Structural relations in mixed oxides Cux Zn1-x Nb2 O6","Journal of Solid State Chemistry","1995","115","","476","483","10.1006/jssc.1995.1162","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006089","14.187","0.005","5.73","0.002","5.031","0.002","90","","90","","90","","409","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Copper zinc diniobate (0.36/0.64/1)","","- Cu0.36 Nb2 O6 Zn0.64 -","- Cu0.36 Nb2 O6 Zn0.64 -","- Cu1.44 Nb8 O24 Zn2.56 -","4","0.5","","Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H","Structural relations in mixed oxides Cux Zn1-x Nb2 O6","Journal of Solid State Chemistry","1995","115","","476","483","10.1006/jssc.1995.1162","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006090","5.0064","0.0001","14.1733","0.0003","5.7615","0.0001","90","","91.672","0.001","90","","408.6","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Copper diniobate","","- Cu Nb2 O6 -","- Cu Nb2 O6 -","- Cu4 Nb8 O24 -","4","1","","Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H","Structural relations in mixed oxides Cux Zn1-x Nb2 O6","Journal of Solid State Chemistry","1995","115","","476","483","10.1006/jssc.1995.1162","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006091","5.007","0.0001","14.1706","0.0002","5.7547","0.0001","90","","91.451","0.001","90","","408.2","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Copper zinc niobium oxide (0.85/0.15/2/6)","","- Cu0.85 Nb2 O6 Zn0.15 -","- Cu0.85 Nb2 O6 Zn0.15 -","- Cu3.4 Nb8 O24 Zn0.6 -","4","1","","Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H","Structural relations in mixed oxides Cux Zn1-x Nb2 O6","Journal of Solid State Chemistry","1995","115","","476","483","10.1006/jssc.1995.1162","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006092","5.2067","0.0003","5.2067","0.0003","8.1431","0.0008","90","","90","","120","","191.2","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Thulium manganese germanide (1/6/6)","","- Ge6 Mn6 Tm -","- Ge6 Mn6 Tm -","- Ge6 Mn6 Tm -","1","0.0416667","","Schobinger, - Papamantellos P; Andre, G; Rodriguez-Carvajal, J; Brabers, J H V J; Buschow, K H J","A neutron diffraction study of the magnetic ordering of Tm Mn6 Ge6","Journal of Alloys Compd.","1995","226","","113","120","10.1016/0925-8388(95)01618-X","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006093","5.211","0.0004","5.211","0.0004","8.1397","0.001","90","","90","","120","","191.4","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Thulium manganese germanide (1/6/6)","","- Ge6 Mn6 Tm -","- Ge6 Mn6 Tm -","- Ge6 Mn6 Tm -","1","0.0416667","","Schobinger, - Papamantellos P; Andre, G; Rodriguez-Carvajal, J; Brabers, J H V J; Buschow, K H J","A neutron diffraction study of the magnetic ordering of Tm Mn6 Ge6","Journal of Alloys Compd.","1995","226","","113","120","10.1016/0925-8388(95)01618-X","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006094","5.1993","0.0007","5.1993","0.0007","8.1165","0.0011","90","","90","","120","","190","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Lutetium manganese germanide (1/6/6)","","- Ge6 Lu Mn6 -","- Ge6 Lu Mn6 -","- Ge6 Lu Mn6 -","1","0.0416667","","Schobinger-Papamantellos, P; Andre, G; Rodriguez-Carvajal, J; Brabers, J H V J; Buschow, K H J","A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6","Journal of Alloys Compd.","1995","226","","152","154","10.1016/0925-8388(95)01630-9","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006095","5.2002","0.0008","5.2002","0.0008","8.1169","0.0012","90","","90","","120","","190.1","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Lutetium manganese germanide (1/6/6)","","- Ge6 Lu Mn6 -","- Ge6 Lu Mn6 -","- Ge6 Lu Mn6 -","1","0.0416667","","Schobinger-Papamantellos, P; Andre, G; Rodriguez-Carvajal, J; Brabers, J H V J; Buschow, K H J","A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6","Journal of Alloys Compd.","1995","226","","152","154","10.1016/0925-8388(95)01630-9","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006096","5.2076","0.0009","5.2076","0.0009","8.1285","0.0015","90","","90","","120","","190.9","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Lutetium manganese germanide (1/6/6)","","- Ge6 Lu Mn6 -","- Ge6 Lu Mn6 -","- Ge6 Lu Mn6 -","1","0.0416667","","Schobinger-Papamantellos, P; Andre, G; Rodriguez-Carvajal, J; Brabers, J H V J; Buschow, K H J","A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6","Journal of Alloys Compd.","1995","226","","152","154","10.1016/0925-8388(95)01630-9","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006097","5.6262","0.0006","7.8396","0.0008","5.5702","0.0006","90","","90","","90","","245.7","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dilanthanum copper titanium oxide","","- Cu La2 O6 Ti -","- Cu0.992 La2 O6 Ti1.008 -","- Cu1.984 La4 O12 Ti2.016 -","2","0.25","","Palacin, M R; Bassas, J; Rodriguez-Carvajal, J; Gomez-Romero, P","Syntheses of the perovskite La2 Cu Ti O6 by the ceramic, oxide precursors and sol-gel methods, and study of the structure and Cu-Ti distribution by X-ray and neutron diffraction","Journal of Materials Chemistry","1993","3","3","1171","1177","10.1039/jm9930301171","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006098","13.5795","0.0007","9.7024","0.0007","7.0147","0.0003","90","","90","","90","","924.2","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium aquapentachloroferrate(III)","","- Cl5 Fe H2 K2 O -","- Cl5 Fe H2 K2 O -","- Cl20 Fe4 H8 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006099","13.5862","0.0009","9.7087","0.0005","7.0177","0.0005","90","","90","","90","","925.7","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006100","13.4653","0.0003","9.6132","0.0002","6.9836","0.0002","90","","90","","90","","904","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006101","13.4389","0.0003","9.6025","0.0002","6.9789","0.0002","90","","90","","90","","900.6","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006102","13.4391","0.0003","9.5981","0.0002","6.9797","0.0002","90","","90","","90","","900.3","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006103","13.8015","0.0002","9.9049","0.0001","7.0783","0.0001","90","","90","","90","","967.6","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006104","13.7101","0.0001","9.8517","0.0001","7.0255","0","90","","90","","90","","948.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006105","13.6798","0.0002","9.8507","0.0002","7.0069","0.0001","90","","90","","90","","944.2","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006106","13.6801","0.0002","9.8471","0.0002","7.0073","0.0001","90","","90","","90","","943.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006107","3.8282","0.00005","3.8282","0.00005","19.4498","0.0004","90","","90","","90","","285","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Lanthanum calcium copper oxide (2/1/2/6.04)","","- Ca Cu2 La2 O6.037 -","- Ca Cu2 La2 O6.037 -","- Ca2 Cu4 La4 O12.074 -","2","0.0625","","Fuertes, A; Obradors, X; Navarro, J M; Gomez-Romero, P; Casan-Pastor, N; Perez, F; Fontcuberta, J; Miravitlles, C; Rodriguez-Carvajal, J; Martinez, B","Oxygen excess and superconductivity at 45 K in La2 Ca Cu2 O6+y","Physica C (Amsterdam) (152,1988-)","1990","170","","153","160","10.1016/0921-4534(90)90241-6","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006108","3.8335","0.00005","3.8335","0.00005","19.51689","0.0004","90","","90","","90","","286.8","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Lanthanum calcium copper oxide (2/1/2/6.04)","","- Ca Cu2 La2 O6.037 -","- Ca Cu2 La2 O6.037 -","- Ca2 Cu4 La4 O12.074 -","2","0.0625","","Fuertes, A; Obradors, X; Navarro, J M; Gomez-Romero, P; Casan-Pastor, N; Perez, F; Fontcuberta, J; Miravitlles, C; Rodriguez-Carvajal, J; Martinez, B","Oxygen excess and superconductivity at 45 K in La2 Ca Cu2 O6+y","Physica C (Amsterdam) (152,1988-)","1990","170","","153","160","10.1016/0921-4534(90)90241-6","","","","","","0.0651","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006109","3.82737","0.00007","3.82737","0.00007","19.4655","0.0005","90","","90","","90","","285.1","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Lanthanum barium calcium copper oxide","","- Ba0.15 Ca Cu2 La1.85 O6 -","- Ba0.15 Ca0.99 Cu2 La1.86 O6.04 -","- Ba0.3 Ca1.98 Cu4 La3.72 O12.08 -","2","0.0625","","Navarro, J M; Fuertes, A; Gomez-Romero, P; Rodriguez-Carjaval, J","Crystal structure of La1.85 Ba0.15 Ca Cu2 O6+y determined by neutron powder diffraction","Solid State Communications","1992","81","","677","681","10.1016/0038-1098(92)90619-K","","","","","","0.0779","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006110","3.83304","0.00006","3.83304","0.00006","19.5327","0.0005","90","","90","","90","","287","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Lanthanum barium calcium copper oxide","","- Ba0.15 Ca Cu2 La1.85 O6 -","- Ba0.15 Ca0.99 Cu2 La1.86 O6.04 -","- Ba0.3 Ca1.98 Cu4 La3.72 O12.08 -","2","0.0625","","Navarro, J M; Fuertes, A; Gomez-Romero, P; Rodriguez-Carjaval, J","Crystal structure of La1.85 Ba0.15 Ca Cu2 O6+y determined by neutron powder diffraction","Solid State Communications","1992","81","","677","681","10.1016/0038-1098(92)90619-K","","","","","","0.0669","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006111","8.611","0.0003","4.9933","0.0002","16.1507","0.0007","90","","110.206","0.003","90","","651.7","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Titanium bis(hydrogenphosphate(V)) hydrate - α","","- H4 O9 P2 Ti -","- H8 O9 P2 Ti -","- H32 O36 P8 Ti4 -","4","1","","Salvadó, M. A.; Pertierra, P.; García-Granda, S.; García, J. R.; Rodríguez, J.; Fernández-Díaz, M. T.","Neutron powder diffraction study of α-Ti(HPO~4~)~2~.(H~2~O) and α-Hf(HPO~4~)~2~.(H~2~O); H-atom positions","Acta Crystallographica, Section B: Structural Science","1996","52","5","896","898","10.1107/s0108768196006702","","","","","","0.01","","","","","","","","","","","","","","","has coordinates","200140","2020-10-21","18:00:00",""
"1006112","8.9955","0.0005","5.2439","0.0003","16.224","0.001","90","","111.234","0.004","90","","713.4","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Hafnium bis(hydrogenphosphate(V)) hydrate - α","","- H4 Hf O9 P2 -","- H8 Hf O9 P2 -","- H32 Hf4 O36 P8 -","4","1","","Salvadó, M. A.; Pertierra, P.; García-Granda, S.; García, J. R.; Rodríguez, J.; Fernández-Díaz, M. T.","Neutron powder diffraction study of α-Ti(HPO~4~)~2~.(H~2~O) and α-Hf(HPO~4~)~2~.(H~2~O); H-atom positions","Acta Crystallographica, Section B: Structural Science","1996","52","5","896","898","10.1107/s0108768196006702","","","","","","0.009","","","","","","","","","","","","","","","has coordinates","200140","2020-10-21","18:00:00",""
"1006113","5.4492","0.0002","5.4492","0.0002","12.5362","0.0006","90","","90","","90","","372.2","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Praseodymium nickel oxide (2/1/4.18)","","- Ni O4.18 Pr2 -","- Ni O4.18 Pr2 -","- Ni4 O16.72 Pr8 -","4","0.25","","Allancon, C; Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Odier, P; Bassat, J M; Loup, J P; Martinez, J L","Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d","Zeitschrift fuer Physik, B (1984-)","1995","100","","85","90","","","","","","","0.109","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1006114","5.4492","0.0002","5.4492","0.0002","12.5361","0.0006","90","","90","","90","","372.2","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Praseodymium nickel oxide (2/1/4.2)","","- Ni O4.2 Pr2 -","- Ni O4.2 Pr2 -","- Ni4 O16.8 Pr8 -","4","0.25","","Allancon, C; Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Odier, P; Bassat, J M; Loup, J P; Martinez, J L","Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d","Zeitschrift fuer Physik, B (1984-)","1995","100","","85","90","","","","","","","0.111","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1006115","5.4491","0.0002","5.4491","0.0002","12.5359","0.0006","90","","90","","90","","372.2","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Praseodymium nickel oxide (2/1/4.22)","","- Ni O4.216 Pr2 -","- Ni O4.216 Pr2 -","- Ni4 O16.864 Pr8 -","4","0.25","","Allancon, C; Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Odier, P; Bassat, J M; Loup, J P; Martinez, J L","Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d","Zeitschrift fuer Physik, B (1984-)","1995","100","","85","90","","","","","","","0.115","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1006116","8.3473","0.0006","8.3473","0.0006","8.3473","0.0006","90","","90","","90","","581.6","","","","","","","","","","","","rich - synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","Nickel iron oxide (1.4/1.7/4)","Trevorite","- Fe1.7 Ni1.43 O4 -","- Fe1.7 Ni1.43 O4 -","- Fe13.6 Ni11.44 O32 -","8","0.0416667","","Blesa, M. C.; Amador, U.; Moran, E.; Menendez, N.; Tornero, J. D.; Rodriguez-Carvajal J","Synthesis and characterization of nickel and magnesium ferrites obtained from alpha-NaFeO2 Locality: synthetic","Solid State Ionics","1993","63","","429","436","","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1006117","5.575","0.001","7.866","0.001","5.579","0.001","90","","90","","90","","244.7","","","","","","","","","","","","synthetic","4","P n m a","-P 2ac 2n","62","","Lanthanum copper titanium oxide (2/0.96/1.04/6)","Perovskite (La, Cu, Ti)","- Cu0.96 La2 O6 Ti1.04 -","- Cu0.96 La2 O6 Ti1.04 -","- Cu1.92 La4 O12 Ti2.08 -","2","0.25","","Palacin, M R; Bassas, J; Rodriguez-Carvajal, J; Fuertes, A; Casan-Pastor, N; Gomez-Romero, P","Studies of the formation and reduction of a mixed three-dimensional perovskite of copper and titanium","Materials Research Bulletin","1994","29","","973","980","10.1016/0025-5408(94)90058-2","","","","","","0.0524","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006118","5.1709","0.0002","5.1709","0.0002","8.2817","0.0003","90","","90","","120","","191.8","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Terbium chromium germanide (1/6/5.99)","","- Cr6 Ge5.992 Tb -","- Cr6 Ge5.992 Tb -","- Cr6 Ge5.992 Tb -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Atomic disorder and canted ferrimagnetism in the Tb Cr6 Ge6 compound. A neutron study","Journal of Alloys Compd.","1997","255","","67","73","10.1016/S0925-8388(96)02872-1","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006119","5.1607","0.0007","5.1607","0.0007","8.2822","0.0009","90","","90","","120","","191","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Terbium chromium germanide (0.95/6/5.99)","","- Cr6 Ge5.992 Tb0.951 -","- Cr6 Ge5.992 Tb0.951 -","- Cr6 Ge5.992 Tb0.951 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Atomic disorder and canted ferrimagnetism in the Tb Cr6 Ge6 compound. A neutron study","Journal of Alloys Compd.","1997","255","","67","73","10.1016/S0925-8388(96)02872-1","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006120","5.1618","0.0004","5.1618","0.0004","8.2854","0.0006","90","","90","","120","","191.2","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Terbium chromium germanide (0.95/6/5.99)","","- Cr6 Ge5.992 Tb0.951 -","- Cr6 Ge5.992 Tb0.951 -","- Cr6 Ge5.992 Tb0.951 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Atomic disorder and canted ferrimagnetism in the Tb Cr6 Ge6 compound. A neutron study","Journal of Alloys Compd.","1997","255","","67","73","10.1016/S0925-8388(96)02872-1","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006121","5.1586","0.0004","5.1586","0.0004","8.2771","0.0007","90","","90","","120","","190.8","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Dysprosium chromium germanide (1/6/6)","","- Cr6 Dy Ge6 -","- Cr6 Dy Ge6 -","- Cr6 Dy Ge6 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Ferrimagnetism and disorder in the R Cr6 Ge6 compounds (R = Dy, Ho,Er, Y): a neutron study","Journal of Alloys Compd.","1997","256","","92","96","10.1016/S0925-8388(96)03109-X","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006122","5.1588","0.0006","5.1588","0.0006","8.2773","0.0009","90","","90","","120","","190.8","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Dysprosium chromium germanide (1/6/6)","","- Cr6 Dy Ge6 -","- Cr6 Dy Ge6 -","- Cr6 Dy Ge6 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Ferrimagnetism and disorder in the R Cr6 Ge6 compounds (R = Dy, Ho,Er, Y): a neutron study","Journal of Alloys Compd.","1997","256","","92","96","10.1016/S0925-8388(96)03109-X","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006123","5.1495","0.0005","5.1495","0.0005","8.2639","0.0007","90","","90","","120","","189.8","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Erbium chromium germanide (1/6/6)","","- Cr6 Er Ge6 -","- Cr6 Er Ge6 -","- Cr6 Er Ge6 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Ferrimagnetism and disorder in the R Cr6 Ge6 compounds (R = Dy, Ho,Er, Y): a neutron study","Journal of Alloys Compd.","1997","256","","92","96","10.1016/S0925-8388(96)03109-X","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006124","5.1474","0.0007","5.1474","0.0007","8.2617","0.0009","90","","90","","120","","189.6","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Erbium chromium germanide (1/6/6)","","- Cr6 Er Ge6 -","- Cr6 Er Ge6 -","- Cr6 Er Ge6 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Ferrimagnetism and disorder in the R Cr6 Ge6 compounds (R = Dy, Ho,Er, Y): a neutron study","Journal of Alloys Compd.","1997","256","","92","96","10.1016/S0925-8388(96)03109-X","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006125","5.149","0.001","5.149","0.001","8.262","0.002","90","","90","","120","","189.7","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Holmium chromium germanide (1/6/6)","","- Cr6 Ge6 Ho -","- Cr6 Ge6 Ho -","- Cr6 Ge6 Ho -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Ferrimagnetism and disorder in the R Cr6 Ge6 compounds (R = Dy, Ho,Er, Y): a neutron study","Journal of Alloys Compd.","1997","256","","92","96","10.1016/S0925-8388(96)03109-X","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006126","8.0991","0.0001","26.5293","0.0009","5.10721","0.00001","90","","90","","90","","1097.4","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Erbium iron germanide (1/6/6)","","- Er Fe6 Ge6 -","- Er Fe6 Ge5.97333 -","- Er6 Fe36 Ge35.84 -","6","0.375","","Oleksyn, O; Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Brueck, E; Buschow, K H J","Crystal structure and magnetic ordering in Er Fe6 Ge6 studied by X-ray, neutron diffraction and magnetic measurements","Journal of Alloys Compd.","1997","257","","36","45","10.1016/S0925-8388(96)03125-8","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006127","8.1008","0.0001","26.53181","0.00002","5.10768","0.00001","90","","90","","90","","1097.8","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Erbium iron germanide (1/6/6)","","- Er Fe6 Ge6 -","- Er Fe6 Ge6 -","- Er6 Fe36 Ge36 -","6","0.375","","Oleksyn, O; Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Brueck, E; Buschow, K H J","Crystal structure and magnetic ordering in Er Fe6 Ge6 studied by X-ray, neutron diffraction and magnetic measurements","Journal of Alloys Compd.","1997","257","","36","45","10.1016/S0925-8388(96)03125-8","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006128","5.5351","0.0004","5.5187","0.0003","7.7903","0.0004","90","","90","","90","","238","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Lanthanum strontium manganese oxide (0.88/0.12/1/3) - O""","","- La0.875 Mn O3 Sr0.125 -","- La0.875 Mn O3 Sr0.125 -","- La3.5 Mn4 O12 Sr0.5 -","4","0.5","","Pinsard, L; Rodriguez-Carvajal, J; Revcolevschi, A","Structural phase diagram of La1-x Srx Mn O3 for low Sr doping","Journal of Alloys Compd.","1997","262","","152","156","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006129","5.5489","0.0004","5.5598","0.0004","7.7375","0.0004","90","","90","","90","","238.7","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Lanthanum strontium manganese oxide (0.88/0.12/1/3) - O'","","- La0.875 Mn O3 Sr0.125 -","- La0.875 Mn O3 Sr0.125 -","- La3.5 Mn4 O12 Sr0.5 -","4","0.5","","Pinsard, L; Rodriguez-Carvajal, J; Revcolevschi, A","Structural phase diagram of La1-x Srx Mn O3 for low Sr doping","Journal of Alloys Compd.","1997","262","","152","156","","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006130","5.5448","0.0002","5.5258","0.0002","7.7927","0.0003","90","","90","","90","","238.8","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Lanthanum strontium manganese oxide (0.88/0.12/1/3) - O","","- La0.875 Mn O3 Sr0.125 -","- La0.875 Mn O3 Sr0.125 -","- La3.5 Mn4 O12 Sr0.5 -","4","0.5","","Pinsard, L; Rodriguez-Carvajal, J; Revcolevschi, A","Structural phase diagram of La1-x Srx Mn O3 for low Sr doping","Journal of Alloys Compd.","1997","262","","152","156","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006131","5.4324","0.0004","5.5277","0.0004","12.488","0.001","90","","90","","90","","375","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Dilanthanum niccolate","","- La2 Ni O4 -","- La2 Ni O4 -","- La8 Ni4 O16 -","4","","","Medarde, M.; Rodriguez-Carvajal, J.","Oxygen vacancy ordering in La~2-x~Sr~x~NiO~4-δ~ (0 <= x <= 0.5): the crystal structure and defects investigated by neutron diffraction","Zeitschrift für Physik B: Condensed Matter","1997","102","3","307","315","10.1007/s002570050293","","","","","","0.0133","","","","","","","","","","","","","","","has coordinates","200099","2020-10-21","18:00:00",""
"1006132","5.4325","0.0004","5.5148","0.0004","12.523","0.001","90","","90","","90","","375.2","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum strontium niccolate (0.97/0.03/1)","","- La1.97 Ni O4 Sr0.03 -","- La1.97 Ni O4 Sr0.03 -","- La7.88 Ni4 O16 Sr0.12 -","4","","","Medarde, M.; Rodriguez-Carvajal, J.","Oxygen vacancy ordering in La~2-x~Sr~x~NiO~4-δ~ (0 <= x <= 0.5): the crystal structure and defects investigated by neutron diffraction","Zeitschrift für Physik B: Condensed Matter","1997","102","3","307","315","10.1007/s002570050293","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","200099","2020-10-21","18:00:00",""
"1006133","5.4332","0.0004","5.4994","0.0004","12.5734","0.0006","90","","90","","90","","375.7","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum strontium nickel oxide (1.94/0.06/1/3.9)","","- La1.94 Ni O3.94 Sr0.06 -","- La1.94 Ni O3.94 Sr0.06 -","- La7.76 Ni4 O15.76 Sr0.24 -","4","","","Medarde, M.; Rodriguez-Carvajal, J.","Oxygen vacancy ordering in La~2-x~Sr~x~NiO~4-δ~ (0 <= x <= 0.5): the crystal structure and defects investigated by neutron diffraction","Zeitschrift für Physik B: Condensed Matter","1997","102","3","307","315","10.1007/s002570050293","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","200099","2020-10-21","18:00:00",""
"1006134","5.4402","0.0001","5.4764","0.0001","12.591","0.0002","90","","90","","90","0","375.1","","","","","","","","","","","","","4","B 1 1 2/n","-B 2ab","15","","Lanthanum strontium nickel oxide (1.9/0.1/1/2.9)","","- La1.9 Ni O2.9 Sr0.1 -","- La1.9 Ni O2.9 Sr0.1 -","- La7.6 Ni4 O11.6 Sr0.4 -","4","0.5","","Medarde, M.; Rodriguez-Carvajal, J.","Oxygen vacancy ordering in La~2-x~Sr~x~NiO~4-δ~ (0 <= x <= 0.5): the crystal structure and defects investigated by neutron diffraction","Zeitschrift für Physik B: Condensed Matter","1997","102","3","307","315","10.1007/s002570050293","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","200099","2020-10-21","18:00:00",""
"1006135","3.8199","0.0003","3.8536","0.0003","12.5887","0.0008","90","","90","","90","","185.3","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Lanthanum strontium nickel oxide (1.85/0.15/1/2.22)","","- La1.85 Ni O2.219 Sr0.15 -","- La1.85 Ni O2.219 Sr0.15 -","- La3.7 Ni2 O4.438 Sr0.3 -","2","0.125","","Medarde, M.; Rodriguez-Carvajal, J.","Oxygen vacancy ordering in La~2-x~Sr~x~NiO~4-δ~ (0 <= x <= 0.5): the crystal structure and defects investigated by neutron diffraction","Zeitschrift für Physik B: Condensed Matter","1997","102","3","307","315","10.1007/s002570050293","","","","","","0.0504","","","","","","","","","","","","","","","has coordinates","200099","2020-10-21","18:00:00",""
"1006136","3.797","0.0003","3.8545","0.0003","12.6148","0.0008","90","","90","","90","","184.6","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Lanthanum strontium nickel oxide (1.8/0.2/1/2.2)","","- La1.8 Ni O2.212 Sr0.2 -","- La1.8 Ni O2.212 Sr0.2 -","- La3.6 Ni2 O4.424 Sr0.4 -","2","0.125","","Medarde, M.; Rodriguez-Carvajal, J.","Oxygen vacancy ordering in La~2-x~Sr~x~NiO~4-δ~ (0 <= x <= 0.5): the crystal structure and defects investigated by neutron diffraction","Zeitschrift für Physik B: Condensed Matter","1997","102","3","307","315","10.1007/s002570050293","","","","","","0.0622","","","","","","","","","","","","","","","has coordinates","200099","2020-10-21","18:00:00",""
"1006137","3.7797","0.0005","3.8549","0.0005","12.657","0.001","90","","90","","90","","184.4","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Lanthanum strontium nickel oxide (1.75/0.25/1/2.2)","","- La1.75 Ni O2.212 Sr0.25 -","- La1.75 Ni O2.209 Sr0.25 -","- La3.5 Ni2 O4.418 Sr0.5 -","2","0.125","","Medarde, M.; Rodriguez-Carvajal, J.","Oxygen vacancy ordering in La~2-x~Sr~x~NiO~4-δ~ (0 <= x <= 0.5): the crystal structure and defects investigated by neutron diffraction","Zeitschrift für Physik B: Condensed Matter","1997","102","3","307","315","10.1007/s002570050293","","","","","","0.0625","","","","","","","","","","","","","","","has coordinates","200099","2020-10-21","18:00:00",""
"1006138","3.7605","0.0003","3.86","0.0002","12.6607","0.0008","90","","90","","90","","183.8","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Lanthanum strontium nickel oxide (1.5/0.5/1/2.2)","","- La1.5 Ni O2.198 Sr0.5 -","- La1.5 Ni O2.198 Sr0.5 -","- La3 Ni2 O4.396 Sr -","2","0.125","","Medarde, M.; Rodriguez-Carvajal, J.","Oxygen vacancy ordering in La~2-x~Sr~x~NiO~4-δ~ (0 <= x <= 0.5): the crystal structure and defects investigated by neutron diffraction","Zeitschrift für Physik B: Condensed Matter","1997","102","3","307","315","10.1007/s002570050293","","","","","","0.0389","","","","","","","","","","","","","","","has coordinates","200099","2020-10-21","18:00:00",""
"1006139","5.3473","0.0005","5.4554","0.0005","12.275","0.001","90","","90","","90.782","0.005","358","","","","","","","","","","","","","4","B 1 1 2/n","-B 2ab","15","","Neodymium strontium nickel oxide (1.8/0.2/1/3.7)","","- Nd1.8 Ni O3.7 Sr0.2 -","- Nd1.8 Ni O3.7 Sr0.2 -","- Nd7.2 Ni4 O14.8 Sr0.8 -","4","0.5","","Medarde, M; Rodriguez-Carvajal, J; Vallet-Regi, M; Gonzalez-Calbet, J M; Alonso, J","Crystal structure and microstructure of Nd1.8 Sr0.2 NiO3.72: a K2 Ni F4- type nickelate with monoclinic symmetry and ordered oxygen vacancies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1994","49","13","8591","8599","10.1103/PhysRevB.49.8591","","","","","","0.0116","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006140","5.3578","0.0005","5.4394","0.0005","12.25","0.002","90","","90","","90.788","0.006","357","","","","","","","","","","","","","4","B 1 1 2/n","-B 2ab","15","","Neodymium strontium nickel oxide (1.8/0.2/1/3.7)","","- Nd1.8 Ni O3.72 Sr0.2 -","- Nd1.8 Ni O3.7 Sr0.2 -","- Nd7.2 Ni4 O14.8 Sr0.8 -","4","0.5","","Medarde, M; Rodriguez-Carvajal, J; Vallet-Regi, M; Gonzalez-Calbet, J M; Alonso, J","Crystal structure and microstructure of Nd1.8 Sr0.2 NiO3.72: a K2 Ni F4- type nickelate with monoclinic symmetry and ordered oxygen vacancies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1994","49","13","8591","8599","10.1103/PhysRevB.49.8591","","","","","","0.0116","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006141","5.5367","0.0001","5.7473","0.0001","7.6929","0.0002","90","","90","","90","","244.8","","","","298","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Lanthanum manganate(III)","","- La Mn O3 -","- La Mn O3 -","- La4 Mn4 O12 -","4","0.5","","Rodriguez-Carvajal, J; Hennion, M; Moussa, F; Moudden, A H; Pinsard, L; Revcolevschi, A","Neutron-diffraction of the Jahn-Teller transition in stoichiometric La Mn O3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1998","57","","3189","3192","10.1103/PhysRevB.57.R3189","","","","","","0.0898","","","","","","","","","","","","","","","has coordinates","248650","2020-10-21","18:00:00",""
"1006142","5.552","0.0002","5.7269","0.0002","7.7365","0.0002","90","","90","","90","","246","","","","573","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Lanthanum manganate(III)","","- La Mn O3 -","- La Mn O3 -","- La4 Mn4 O12 -","4","0.5","","Rodriguez-Carvajal, J; Hennion, M; Moussa, F; Moudden, A H; Pinsard, L; Revcolevschi, A","Neutron-diffraction of the Jahn-Teller transition in stoichiometric La Mn O3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1998","57","","3189","3192","10.1103/PhysRevB.57.R3189","","","","","","0.0104","","","","","","","","","","","","","","","has coordinates","248650","2020-10-21","18:00:00",""
"1006143","5.5817","0.0003","5.5834","0.0002","7.8896","0.0004","90","","90","","90","","245.9","","","","798","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Lanthanum manganate(III)","","- La Mn O3 -","- La Mn O3 -","- La4 Mn4 O12 -","4","0.5","","Rodriguez-Carvajal, J; Hennion, M; Moussa, F; Moudden, A H; Pinsard, L; Revcolevschi, A","Neutron-diffraction of the Jahn-Teller transition in stoichiometric La Mn O3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1998","57","","3189","3192","10.1103/PhysRevB.57.R3189","","","","","","0.0113","","","","","","","","","","","","","","","has coordinates","248650","2020-10-21","18:00:00",""
"1006144","5.2187","0.0003","5.2187","0.0003","8.1865","0.0006","90","","90","","120","","193.1","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Dysprosium manganese chromium germanide (1/5/1/6)","","- Cr Dy Ge6 Mn5 -","- Cr1.0002 Dy Ge6 Mn4.9998 -","- Cr1.0002 Dy Ge6 Mn4.9998 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Andre, G; Buschow, K H J","A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 compounds","Journal of Alloys Compd.","1998","265","","56","60","10.1016/S0925-8388(97)00312-5","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006145","5.2155","0.0003","5.2155","0.0003","8.2018","0.0007","90","","90","","120","","193.2","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Dysprosium manganese chromium germanide (1/4.5/1.5/6)","","- Cr1.5 Dy Ge6 Mn4.5 -","- Cr1.5 Dy Ge6 Mn4.5 -","- Cr1.5 Dy Ge6 Mn4.5 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Andre, G; Buschow, K H J","A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 compounds","Journal of Alloys Compd.","1998","265","","56","60","10.1016/S0925-8388(97)00312-5","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006146","5.2101","0.0003","5.2101","0.0003","8.2102","0.0006","90","","90","","120","","193","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Dysprosium manganese chromium germanide (1/4/2/6)","","- Cr2 Dy Ge6 Mn4 -","- Cr1.998 Dy Ge6 Mn4.002 -","- Cr1.998 Dy Ge6 Mn4.002 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Andre, G; Buschow, K H J","A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 compounds","Journal of Alloys Compd.","1998","265","","56","60","10.1016/S0925-8388(97)00312-5","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006147","5.185","0.001","5.185","0.001","8.252","0.002","90","","90","","120","","192.1","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Dysprosium manganese chromium germanide (1/2/4/6)","","- Cr4 Dy Ge6 Mn2 -","- Cr4.002 Dy Ge6 Mn1.998 -","- Cr4.002 Dy Ge6 Mn1.998 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Andre, G; Buschow, K H J","A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 compounds","Journal of Alloys Compd.","1998","265","","56","60","10.1016/S0925-8388(97)00312-5","","","","","","0.102","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006148","5.169","0.001","5.169","0.001","8.263","0.003","90","","90","","120","","191.2","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Dysprosium manganese chromium germanide (1/1/5/5.9)","","- Cr5 Dy Ge5.9 Mn -","- Cr4.9998 Dy Ge5.9 Mn1.0002 -","- Cr4.9998 Dy Ge5.9 Mn1.0002 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Andre, G; Buschow, K H J","A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 compounds","Journal of Alloys Compd.","1998","265","","56","60","10.1016/S0925-8388(97)00312-5","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006149","5.2256","0.0003","5.2256","0.0003","8.1646","0.0006","90","","90","","120","","193.1","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Dysprosium manganese germanide (1/6/6)","","- Dy Ge6 Mn6 -","- Dy Ge6 Mn6 -","- Dy Ge6 Mn6 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Andre, G; Buschow, K H J","A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 compounds","Journal of Alloys Compd.","1998","265","","56","60","10.1016/S0925-8388(97)00312-5","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006150","5.2077","0.0003","5.2077","0.0003","8.1515","0.0005","90","","90","","120","","191.5","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Dysprosium manganese germanide (1/6/6)","","- Dy Ge6 Mn6 -","- Dy Ge6 Mn6 -","- Dy Ge6 Mn6 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Andre, G; Buschow, K H J","A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 compounds","Journal of Alloys Compd.","1998","265","","56","60","10.1016/S0925-8388(97)00312-5","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006151","5.202","0.0005","5.202","0.0005","8.1725","0.0007","90","","90","","120","","191.5","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Dysprosium manganese chromium germanide (1/5/1/6)","","- Cr Dy Ge6 Mn5 -","- Cr1.0002 Dy Ge6 Mn4.9998 -","- Cr1.0002 Dy Ge6 Mn4.9998 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Andre, G; Buschow, K H J","A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 compounds","Journal of Alloys Compd.","1998","265","","61","69","10.1016/S0925-8388(97)00311-3","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006152","5.2084","0.0006","5.2084","0.0006","8.177","0.0008","90","","90","","120","","192.1","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Dysprosium manganese chromium germanide (1/5/1/6)","","- Cr Dy Ge6 Mn5 -","- Cr1.0002 Dy Ge6 Mn4.9998 -","- Cr1.0002 Dy Ge6 Mn4.9998 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Andre, G; Buschow, K H J","A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 compounds","Journal of Alloys Compd.","1998","265","","61","69","10.1016/S0925-8388(97)00311-3","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006153","5.1992","0.0007","5.1992","0.0007","8.1837","0.0009","90","","90","","120","","191.6","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Dysprosium manganese chromium germanide (1/4.5/1.5/6)","","- Cr1.5 Dy Ge6 Mn4.5 -","- Cr1.5 Dy Ge6 Mn4.5 -","- Cr1.5 Dy Ge6 Mn4.5 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Andre, G; Buschow, K H J","A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 compounds","Journal of Alloys Compd.","1998","265","","61","69","10.1016/S0925-8388(97)00311-3","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006154","5.2017","0.0008","5.2017","0.0008","8.1857","0.0009","90","","90","","120","","191.8","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Dysprosium manganese chromium germanide (1/4.5/1.5/6)","","- Cr1.5 Dy Ge6 Mn4.5 -","- Cr1.5 Dy Ge6 Mn4.5 -","- Cr1.5 Dy Ge6 Mn4.5 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Andre, G; Buschow, K H J","A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 compounds","Journal of Alloys Compd.","1998","265","","61","69","10.1016/S0925-8388(97)00311-3","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006155","5.1946","0.0006","5.1946","0.0006","8.1937","0.0008","90","","90","","120","","191.5","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Dysprosium manganese chromium germanide (1/4/2/6)","","- Cr2 Dy Ge6 Mn4 -","- Cr1.998 Dy Ge6 Mn4.002 -","- Cr1.998 Dy Ge6 Mn4.002 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Andre, G; Buschow, K H J","A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 compounds","Journal of Alloys Compd.","1998","265","","61","69","10.1016/S0925-8388(97)00311-3","","","","","","0.01","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006156","5.1956","0.0004","5.1956","0.0004","8.1947","0.0008","90","","90","","120","","191.6","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Dysprosium manganese chromium germanide (1/4/2/6)","","- Cr2 Dy Ge6 Mn4 -","- Cr1.998 Dy Ge6 Mn4.002 -","- Cr1.998 Dy Ge6 Mn4.002 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Andre, G; Buschow, K H J","A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 compounds","Journal of Alloys Compd.","1998","265","","61","69","10.1016/S0925-8388(97)00311-3","","","","","","0.01","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006157","5.0971","0.0003","5.0971","0.0003","3.9309","0.0002","90","","90","","120","","88.4","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Terbium cobalt germanide (0.62/2.88/3)","","- Co3 Ge2.884 Tb0.624 -","- Co3 Ge2.884 Tb0.624 -","- Co3 Ge2.884 Tb0.624 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Magnetic order in the Tb Co6 Ge6 and Tb Co2 Ge2 compounds: a neutron study","Journal of Alloys Compd.","1998","274","","83","89","10.1016/S0925-8388(98)00556-8","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006158","3.9819","0.0005","3.9819","0.0005","10.086","0.002","90","","90","","90","","159.9","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Terbium cobalt germanide (1/2/2)","","- Co2 Ge2 Tb -","- Co2 Ge2 Tb -","- Co4 Ge4 Tb2 -","2","0.0625","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Magnetic order in the Tb Co6 Ge6 and Tb Co2 Ge2 compounds: a neutron study","Journal of Alloys Compd.","1998","274","","83","89","10.1016/S0925-8388(98)00556-8","","","","","","0.113","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006159","5.0976","0.0002","5.0976","0.0002","3.9286","0.0002","90","","90","","120","","88.4","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Terbium cobalt germanide (0.62/2.88/3)","","- Co3 Ge2.884 Tb0.624 -","- Co3 Ge2.884 Tb0.624 -","- Co3 Ge2.884 Tb0.624 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Magnetic order in the Tb Co6 Ge6 and Tb Co2 Ge2 compounds: a neutron study","Journal of Alloys Compd.","1998","274","","83","89","10.1016/S0925-8388(98)00556-8","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006160","3.979","0.001","3.979","0.001","10.099","0.003","90","","90","","90","","159.9","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Terbium cobalt germanide (1/2/2)","","- Co2 Ge2 Tb -","- Co2 Ge2 Tb -","- Co4 Ge4 Tb2 -","2","0.0625","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Magnetic order in the Tb Co6 Ge6 and Tb Co2 Ge2 compounds: a neutron study","Journal of Alloys Compd.","1998","274","","83","89","10.1016/S0925-8388(98)00556-8","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006161","3.979","0.001","3.979","0.001","10.103","0.003","90","","90","","90","","160","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Terbium cobalt germanide (1/2/2)","","- Co2 Ge2 Tb -","- Co2 Ge2 Tb -","- Co4 Ge4 Tb2 -","2","0.0625","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Magnetic order in the Tb Co6 Ge6 and Tb Co2 Ge2 compounds: a neutron study","Journal of Alloys Compd.","1998","274","","83","89","10.1016/S0925-8388(98)00556-8","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006162","3.979","0.001","3.979","0.001","10.105","0.003","90","","90","","90","","160","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Terbium cobalt germanide (1/2/2)","","- Co2 Ge2 Tb -","- Co2 Ge2 Tb -","- Co4 Ge4 Tb2 -","2","0.0625","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Magnetic order in the Tb Co6 Ge6 and Tb Co2 Ge2 compounds: a neutron study","Journal of Alloys Compd.","1998","274","","83","89","10.1016/S0925-8388(98)00556-8","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006163","12.1745","0.0002","5.6594","0.0001","6.9993","0.0001","90","","90","","90","","482.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diytterbium barium cobalt oxide","","- Ba Co O5 Yb2 -","- Ba Co O5 Yb2 -","- Ba4 Co4 O20 Yb8 -","4","0.5","","Hernandez-Velasco, J; Saez-Puche, R; Rodriguez-Carvajal, J","Yb2 Ba Co O5 magnetic and crystal structure determination from neutron scattering","Journal of Alloys Compd.","1998","275","","651","656","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006164","5.3499","0.0003","6.5949","0.0004","12.3939","0.0008","90","","98.594","0.005","90","","432.4","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Hafnium phosphate(V) dihydrogenphosphate(V) dihydrate","","- H6 Hf O10 P2 -","- H6 Hf O10 P2 -","- H12 Hf2 O20 P4 -","2","1","","Suarez, M; Barcina, L M; Llavona, R; Rodriguez, J; Salvado, M A; Pertierra, P; Garcia-Granda, S","Synthesis, crystal structure and intercalation behaviour of hafnium phosphate dihydrogenphosphate dihydrate","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1998","1998","","99","102","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006165","8.1293","0.0001","17.73192","0.00003","5.11877","0.00001","90","","90","","90","","737.9","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Terbium iron germanide (1/6/6)","","- Fe6 Ge6 Tb -","- Fe6 Ge6 Tb -","- Fe24 Ge24 Tb4 -","4","0.25","","Schobinger-Papamantellos, P; Oleksyn, O; Rodriguez-Carvajal, J; Andre, G; Brueck, E; Buschow, K H J","Atomic disorder, magnetic order and phase transitions of Tb Fe6 Ge6 studied by X-ray, neutron diffraction and magnetic measurements (I).","Journal of Magnetism and Magnetic Materials","1998","182","","96","110","10.1016/S0304-8853(97)01012-3","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006166","8.13071","0.00009","17.69899","0.0003","5.12618","","90","","90","","90","","737.7","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Terbium hexairon hexagermanide","","- Fe6 Ge6 Tb -","- Fe6 Ge6 Tb -","- Fe24 Ge24 Tb4 -","4","0.25","","Zaharko, O; Schobinger-Papamantellos, P; Ritter, C; Rodriguez-Carvajal, J; Buschow, K H J","Influence of thermal history on crystal structure, microstructure and magnetic properties of Tb Fe6 Ge6 (II)","Journal of Magnetism and Magnetic Materials","1998","187","","293","308","10.1016/S0304-8853(98)00148-6","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006167","8.1293","0.0001","17.73192","0.00003","5.11877","0.00001","90","","90","","90","","737.9","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Terbium hexairon hexagermanide","","- Fe6 Ge6 Tb -","- Fe6 Ge6 Tb -","- Fe24 Ge24 Tb4 -","4","0.25","","Zaharko, O; Schobinger-Papamantellos, P; Ritter, C; Rodriguez-Carvajal, J; Buschow, K H J","Influence of thermal history on crystal structure, microstructure and magnetic properties of Tb Fe6 Ge6 (II)","Journal of Magnetism and Magnetic Materials","1998","187","","293","308","10.1016/S0304-8853(98)00148-6","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006168","8.1292","0.0001","17.73227","0.00003","5.11886","0.00001","90","","90","","90","","737.9","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Terbium hexairon hexagermanide","","- Fe6 Ge6 Tb -","- Fe6 Ge6 Tb -","- Fe24 Ge24 Tb4 -","4","0.25","","Zaharko, O; Schobinger-Papamantellos, P; Ritter, C; Rodriguez-Carvajal, J; Buschow, K H J","Influence of thermal history on crystal structure, microstructure and magnetic properties of Tb Fe6 Ge6 (II)","Journal of Magnetism and Magnetic Materials","1998","187","","293","308","10.1016/S0304-8853(98)00148-6","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006169","5.479","","7.686","","5.453","","90","","90","","90.3","","229.6","","","","","","","","","","","","","4","P 1 1 21/a","-P 2ac","14","","Samarium strontium manganese oxide (0.75/0.25/1/3)","","- Mn O3 Sm0.75 Sr0.25 -","- Mn O3 Sm0.75 Sr0.25 -","- Mn4 O12 Sm3 Sr -","4","1","","Dunaevskii, S M; Kurbakov, A I; Trunov, V A; Chernyshov, D Yu; Popov, V V; Chernyshev, V V; Rodriguez-Carvajal, J","Atomic structure and transport and magnetic properties of the Sm1-x Srx Mn O3 system","Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)","1998","40","7","1271","1276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006170","5.5062","","7.672","","5.435","","90","","90","","90.49","","229.6","","","","","","","","","","","","","4","P 1 1 21/a","-P 2ac","14","","Samarium strontium manganese oxide (0.75/0.25/1/3)","","- Mn O3 Sm0.75 Sr0.25 -","- Mn O3 Sm0.75 Sr0.25 -","- Mn4 O12 Sm3 Sr -","4","1","","Dunaevskii, S M; Kurbakov, A I; Trunov, V A; Chernyshov, D Yu; Popov, V V; Chernyshev, V V; Rodriguez-Carvajal, J","Atomic structure and transport and magnetic properties of the Sm1-xSrx Mn O3 system","Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)","1998","40","7","1271","1276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006171","5.498","","7.672","","5.435","","90","","90","","90.47","","229.2","","","","","","","","","","","","","4","P 1 1 21/a","-P 2ac","14","","Samarium strontium manganese oxide (0.75/0.25/1/3)","","- Mn O3 Sm0.75 Sr0.25 -","- Mn O3 Sm0.75 Sr0.25 -","- Mn4 O12 Sm3 Sr -","4","1","","Dunaevskii, S M; Kurbakov, A I; Trunov, V A; Chernyshov, D Yu; Popov, V V; Chernyshev, V V; Rodriguez-Carvajal, J","Atomic structure and transport and magnetic properties of the Sm1-x Srx Mn O3 system","Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)","1998","40","7","1271","1276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006172","5.494","","7.675","","5.436","","90","","90","","90.5","","229.2","","","","","","","","","","","","","4","P 1 1 21/a","-P 2ac","14","","Samarium strontium manganese oxide (0.75/0.25/1/3)","","- Mn O3 Sm0.75 Sr0.25 -","- Mn O3 Sm0.75 Sr0.25 -","- Mn4 O12 Sm3 Sr -","4","1","","Dunaevskii, S M; Kurbakov, A I; Trunov, V A; Chernyshov, D Yu; Popov, V V; Chernyshev, V V; Rodriguez-Carvajal, J","Atomic structure and transport and magnetic properties of the Sm1-x Srx Mn O3 system","Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)","1998","40","7","1271","1276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006173","5.3513","0.0001","5.3907","0.0001","13.1603","0.0003","90","","90","","90","","379.6","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum calcium copper oxide (1.97/0.03/1/4)","","- Ca0.03 Cu La1.97 O4 -","- Ca0.03 Cu La1.97 O4 -","- Ca0.12 Cu4 La7.88 O16 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006174","5.349","0.0001","5.3822","0.0001","13.1638","0.0002","90","","90","","90","","379","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum calcium copper oxide (1.95/0.05/1/4)","","- Ca0.05 Cu La1.95 O4 -","- Ca0.05 Cu La1.95 O4.03 -","- Ca0.2 Cu4 La7.8 O16.12 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006175","5.3456","0.0001","5.3673","0.0001","13.1698","0.0003","90","","90","","90","","377.9","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum calcium copper oxide (1.92/0.08/1/4)","","- Ca0.08 Cu La1.92 O4 -","- Ca0.08 Cu La1.92 O3.99 -","- Ca0.32 Cu4 La7.68 O15.96 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006176","5.344","0.0001","5.358","0.0001","13.1752","0.0002","90","","90","","90","","377.2","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum calcium copper oxide (1.9/0.1/1/4)","","- Ca0.1 Cu La1.9 O4 -","- Ca0.1 Cu La1.9 O4 -","- Ca0.4 Cu4 La7.6 O16 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006177","5.3491","0.0001","5.3491","0.0001","13.1846","0.0003","90","","90","","90","","377.2","","","","","","","","","","","","","4","I 4/m m m (a+b,-a+b,c)","-I 4 2 (1/2*x+1/2*y,-1/2*x+1/2*y,z)","139","","Lanthanum calcium copper oxide (1.88/0.12/1/4)","","- Ca0.12 Cu La1.88 O4 -","- Ca0.12 Cu La1.88 O3.98 -","- Ca0.48 Cu4 La7.52 O15.92 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1006178","5.3336","0.0003","5.4","0.0003","13.1256","0.0006","90","","90","","90","","378","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum calcium copper oxide (1.97/0.03/1/4)","","- Ca0.03 Cu La1.97 O4 -","- Ca0.03 Cu La1.97 O4.01 -","- Ca0.12 Cu4 La7.88 O16.04 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006179","5.3291","0.0004","5.3946","0.0004","13.1282","0.0009","90","","90","","90","","377.4","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum calcium copper oxide (1.95/0.05/1/4)","","- Ca0.05 Cu La1.95 O4 -","- Ca0.05 Cu La1.95 O4.02 -","- Ca0.2 Cu4 La7.8 O16.08 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006180","5.3271","0.0003","5.3793","0.0003","13.1327","0.0006","90","","90","","90","","376.3","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum calcium copper oxide (1.92/0.08/1/4)","","- Ca0.08 Cu La1.92 O4 -","- Ca0.08 Cu La1.92 O4.01 -","- Ca0.32 Cu4 La7.68 O16.04 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006181","5.3239","0.0002","5.3709","0.0002","13.1446","0.0006","90","","90","","90","","375.9","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum calcium copper oxide (1.9/0.1/1/4)","","- Ca0.1 Cu La1.9 O4 -","- Ca0.1 Cu La1.9 O4.01 -","- Ca0.4 Cu4 La7.6 O16.04 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006182","5.3304","0.0003","5.3663","0.0003","13.1464","0.0007","90","","90","","90","","376","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum calcium copper oxide (1.88/0.12/1/4)","","- Ca0.12 Cu La1.88 O4 -","- Ca0.12 Cu La1.88 O4.01 -","- Ca0.48 Cu4 La7.52 O16.04 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006183","5.351","0.0002","5.3801","0.0002","13.194","0.0005","90","","90","","90","","379.8","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum calcium copper oxide (1.97/0.03/1/4.09)","","- Ca0.03 Cu La1.97 O4.091 -","- Ca0.03 Cu La1.97 O4.091 -","- Ca0.12 Cu4 La7.88 O16.364 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006184","5.3514","0.0002","5.373","0.0002","13.1945","0.0005","90","","90","","90","","379.4","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum calcium copper oxide (1.95/0.05/1/4.09)","","- Ca0.05 Cu La1.95 O4.09 -","- Ca0.05 Cu La1.95 O4.0898 -","- Ca0.2 Cu4 La7.8 O16.3592 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006185","5.3508","0.0003","5.364","0.0003","13.1925","0.0005","90","","90","","90","","378.6","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum calcium copper oxide (1.92/0.08/1/4.08)","","- Ca0.08 Cu La1.92 O4.079 -","- Ca0.08 Cu La1.92 O4.079 -","- Ca0.32 Cu4 La7.68 O16.316 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006186","5.3474","0.0002","5.3581","0.0002","13.187","0.0003","90","","90","","90","","377.8","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum calcium copper oxide (1.9/0.1/1/4.058)","","- Ca0.1 Cu La1.9 O4.058 -","- Ca0.1 Cu La1.9 O4.058 -","- Ca0.4 Cu4 La7.6 O16.232 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006187","5.34975","0.00009","5.34975","0.00009","13.1874","0.0002","90","","90","","90","","377.4","","","","","","","","","","","","","4","I 4/m m m (a+b,-a+b,c)","-I 4 2 (1/2*x+1/2*y,-1/2*x+1/2*y,z)","139","","Lanthanum calcium copper oxide (1.88/0.12/1/4.058)","","- Ca0.12 Cu La1.88 O4.058 -","- Ca0.12 Cu La1.88 O4.0576 -","- Ca0.48 Cu4 La7.52 O16.2304 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1006188","5.3299","0.0003","5.387","0.0003","13.1614","0.0006","90","","90","","90","","377.9","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum calcium copper oxide (1.97/0.03/1/4.12)","","- Ca0.03 Cu La1.97 O4.12 -","- Ca0.03 Cu La1.97 O4.12 -","- Ca0.12 Cu4 La7.88 O16.48 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006189","5.331","0.0003","5.3826","0.0003","13.1623","0.0006","90","","90","","90","","377.7","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum calcium copper oxide (1.95/0.05/1/4.1)","","- Ca0.05 Cu La1.95 O4.1 -","- Ca0.05 Cu La1.95 O4.1 -","- Ca0.2 Cu4 La7.8 O16.4 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006190","5.336","0.0003","5.3671","0.0003","13.1638","0.0007","90","","90","","90","","377","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum calcium copper oxide (1.92/0.08/1/4.07)","","- Ca0.08 Cu La1.92 O4.07 -","- Ca0.08 Cu La1.92 O4.07 -","- Ca0.32 Cu4 La7.68 O16.28 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006191","5.3311","0.0003","5.3653","0.0003","13.157","0.0005","90","","90","","90","","376.3","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum calcium copper oxide (1.9/0.1/1/4.05)","","- Ca0.1 Cu La1.9 O4.05 -","- Ca0.1 Cu La1.9 O4.05 -","- Ca0.4 Cu4 La7.6 O16.2 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006192","5.3313","0.0003","5.3666","0.0003","13.1531","0.0006","90","","90","","90","","376.3","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum calcium copper oxide (1.88/0.12/1/4.05)","","- Ca0.12 Cu La1.88 O4.05 -","- Ca0.12 Cu La1.88 O4.05 -","- Ca0.48 Cu4 La7.52 O16.2 -","4","","","Rial, C; Moran, E; Alario-Franco, M A; Amador, U; Martinez, J L; Rodriguez-Carvajal, J; Andersen, N H","Effects of extra oxygen on the structure and superconductivity of La2-x Cax Cu O4+y prepared by chemical oxidation","Physica C (Amsterdam) (152,1988-)","1998","297","","277","293","10.1016/S0921-4534(98)00005-7","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007000","16.05","0.01","12.33","0.01","10.87","0.01","90","0","90","0","90","0","2151.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","STRONTIUM CYCLO-TRIPHOSPHATE HEPTAHYDRATE","","- H14 O25 P6 Sr3 -","- H14 O25 P6 Sr3 -","- H56 O100 P24 Sr12 -","4","0.5","","Tordjman, I; Durif, A; Guitel, J C","Structure cristalline du trimetaphosphate de strontium heptahydrate Sr~3~ (P~3~ O~9~)~2~ (H~2~ O)","Acta Crystallographica B (24,1968-38,1982)","1976","32","","205","208","10.1107/S0567740876002604","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007001","4.286","","8.618","","15.945","","90","","95.68","","90","","586.1","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Molybdenum ditellurium oxide","","- Mo O7 Te2 -","- Mo O7 Te2 -","- Mo4 O28 Te8 -","4","1","","Arnaud, Y; Averbuch-Pouchot, M T; Durif, A; Guidot, J","Structure cristalline de l'ox de mixte de molybdene-tellure: Mo Te~2~ O~7~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1417","1420","10.1107/S0567740876005475","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007002","11.074","0.008","11.965","0.009","7.35","0.006","90","","102.18","0.03","90","","952","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","POTASSIUM CYCLO-TRIPHOSPHATE","","- K3 O9 P3 -","- K3 O9 P3 -","- K12 O36 P12 -","4","1","","Bagieu-Beucher, M; Tordjman, I; Durif, A; Guitel, J C","Structure cristalline du trimetaphosphate de potassium K~3~ P~3~ O~9~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1427","1430","10.1107/S0567740876005505","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007003","12.285","0.003","12.285","0.003","5.494","0.001","90","","90","","120","","718.1","","","","","","","","","","","","","4","P -3","-P 3","147","","CADMIUM CYCLO-TRIPHOSPHATE 14-HYDRATE","","- Cd3 H28 O32 P6 -","- Cd3 H53.332 O30.333 P6 -","- Cd3 H53.332 O30.333 P6 -","1","0.166667","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Etude a basse temperature du trimetaphosphate de cadmium tetradeca- hydrate Cd~3~ (P~3~ O~9~)~2~ (H~2~ O)~14~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1533","1535","10.1107/S0567740876005712","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007004","12.197","0.002","12.197","0.002","5.47","0.001","90","","90","","120","","704.7","","","","","","","","","","","","","4","P -3","-P 3","147","","CADMIUM CYCLO-TRIPHOSPHATE 14-HYDRATE","","- Cd3 H28 O32 P6 -","- Cd3 H53.332 O30.333 P6 -","- Cd3 H53.332 O30.333 P6 -","1","0.166667","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Etude a basse temperature du trimetaphosphate de cadmium tetradeca- hydrate Cd~3~ (P~3~ O~9~)~2~ (H~2~ O)~14~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1533","1535","10.1107/S0567740876005712","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007005","12.199","0.005","13.047","0.005","10.537","0.005","90","","90","","90","","1677.1","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dilithium ammonium catena-phosphate","","- H4 Li2 N O9 P3 -","- H4 Li2 N O9 P3 -","- H32 Li16 N8 O72 P24 -","8","1","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Structure cristalline du polyphosphate de lithium-ammonium, Li~2~ N H~4~ (P O~3~)~3~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2440","2443","10.1107/S0567740876007930","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007006","7.547","0.004","11.975","0.006","13.068","0.008","108.58","0.08","100.35","0.08","95.54","0.08","1086.2","","","","","","","","","","","","","4","P -1","-P 1","2","","BARIUM CYCLO-TRIPHOSPHATE HEXAHYDRATE","","- Ba3 H12 O24 P6 -","- Ba3 H12 O24 P6 -","- Ba6 H24 O48 P12 -","2","1","","Masse, R; Guitel, J C; Durif, A","Trimetaphosphate de baryum hexahydrate","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1892","1894","10.1107/S0567740876006614","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007007","9.424","0.008","17.87","0.01","7.762","0.007","90","","107.72","0.01","90","","1245.2","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","CADMIUM CYCLO-TRIPHOSPHATE DECAHYDRATE","","- Cd3 H20 O28 P6 -","- Cd3 H20 O28 P6 -","- Cd6 H40 O56 P12 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Trimetaphosphate de cadmium decahydrate","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1894","1896","10.1107/S0567740876006626","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007008","15.14","0.01","7.684","0.005","4.861","0.005","97.86","0.01","96.74","0.01","83.89","0.01","554","","","","","","","","","","","","","5","P -1","-P 1","2","","Diammonium silicon tetraphosphate","","- H8 N2 O13 P4 Si -","- H8 N2 O13 P4 Si -","- H16 N4 O26 P8 Si2 -","2","1","","Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C.","Structure cristalline de (NH~4~)~2~SiP~4~O~13~: un nouvel exemple de silicium hexacoordiné","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1976","32","11","2957","2960","10.1107/S0567740876009370","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1007009","12.202","0.008","8.645","0.003","8.949","0.003","90","","117.41","0.05","90","","838","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ammonium diberyllium triphosphate","","- Be2 H4 N O10 P3 -","- Be2 H4 N O10 P3 -","- Be8 H16 N4 O40 P12 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A; Coing-Boyat, J; Guitel, J C","Phosphoberyllate d'ammonium","Acta Crystallographica B (24,1968-38,1982)","1977","33","","203","205","10.1107/S0567740877003070","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1007010","7.916","0.005","12.647","0.01","10.672","0.009","90","","110.34","0.08","90","","1001.8","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","PRASEODYMIUM AMMONIUM CYCLO-TETRAPHOSPHATE","","- H4 N O12 P4 Pr -","- H4 N O12 P4 Pr -","- H16 N4 O48 P16 Pr4 -","4","0.5","","Masse, R.; Guitel, J. C.; Durif, A.","Structure cristalline du tetrametaphosphate de praseodyme-ammonium, PrNH~4~P~4~O~12~. Donnees cristallographiques de PrNH~4~P~4~O~12~","Acta Crystallographica B (24,1968-38,1982)","1977","33","2","630","632","10.1107/S056774087700435X","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","188424","2020-10-21","18:00:00",""
"1007011","9.333","0.005","7.779","0.005","7.526","0.005","106.28","0.03","105.37","0.03","94.14","0.03","499.4","","","","","","","","","","","","","5","P -1","-P 1","2","","Barium hydrogen bis(chromato)phosphate hydrate","","- Ba Cr2 H3 O11 P -","- Ba Cr2 H3 O11 P -","- Ba2 Cr4 H6 O22 P2 -","2","1","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Existence d'un nouvel anion condense: Cr~2~ P O~10~ . Structures cristallines de deux phosphochromates de baryum: Ba H Cr~2~ P O~10~ . H~2~ O et Ba H Cr~2~ P O~10~ . 3 H~2~ O","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1431","1435","10.1107/S0567740877006232","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007012","10.189","0.005","8.207","0.005","7.749","0.005","108.8","0.03","107.14","0.03","89.04","0.03","584","","","","","","","","","","","","","5","P -1","-P 1","2","","Barium hydrogen bis(chromato)phosphate trihydrate","","- Ba Cr2 H7 O13 P -","- Ba Cr2 H7 O13 P -","- Ba2 Cr4 H14 O26 P2 -","2","1","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Existence d'un nouvel anion condense: Cr~2~ P O~10~ . Structures cristallines de deux phosphochromates de baryum: Ba H Cr~2~ P O~10~ . H~2~ O et Ba H Cr~2~ P O~10~ . 3 H~2~ O","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1431","1435","10.1107/S0567740877006232","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007013","11.643","0.008","4.918","0.004","8.705","0.005","90","","119.27","0.05","90","","434.8","","","","","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","ALUMINIUM AMMONIUM HYDROGENTRIPHOSPHATE","","- Al H5 N O10 P3 -","- Al H11 N O10 P3 -","- Al2 H22 N2 O20 P6 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Structure cristalline d'un tripolyphosphate acide d'aluminium-ammonium: Al (N H~4~) H P~3~ O~10~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1436","1438","10.1107/S0567740877006244","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007014","21.35","0.03","7.163","0.003","18.35","0.02","90","","121.72","0.05","90","","2387.1","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","BARIUM SILVER CYCLO-TRIPHOSPHATE TETRAHYDRATE","","- Ag Ba H8 O13 P3 -","- Ag Ba H8 O13 P3 -","- Ag8 Ba8 H64 O104 P24 -","8","1","","Seethanen, D; Durif, A; Guitel, J C","Structure cristalline du trimetaphosphate de baryum-argent tetrahydrate. Ba Ag P~3~ O~9~ (H~2~ O)~4~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2716","2719","10.1107/S0567740877009364","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007015","7.508","0.001","12.684","0.002","9.53","0.002","90","","90","","90","","907.6","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Cadmium caesium cyclo-triphosphate","","- Cd Cs O9 P3 -","- Cd Cs O9 P3 -","- Cd4 Cs4 O36 P12 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Structure cristalline du trimetaphosphate de cadmium caesium Cd Cs P~3~ O~9~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3114","3116","10.1107/S056774087701036X","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007016","8.496","0.003","11.249","0.008","5.858","0.003","90","","90","","90","","559.9","","","","","","","","","","","","","4","P m a n","-P 2ab 2","53","","Barium hexahydrogen cyclo-14-oxotetraarsenate","","- As4 Ba H6 O14 -","- As4 Ba H3 O14 -","- As8 Ba2 H6 O28 -","2","0.25","","Blum, D; Durif, A; Guitel, J C","Un arseniate acide de baryum Ba H~6~ As~4~ O~14~ . Un nouveau type d'anion cyclique: As~4~ O~14~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3222","3224","10.1107/S0567740877010619","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007017","6.959","0.005","12.853","0.009","4.839","0.005","90","","106.79","0.01","90","","414.4","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Beryllium catena-phosphate - II","","- Be O6 P2 -","- Be O6 P2 -","- Be4 O24 P8 -","4","1","","Averbuch-Pouchot, M T; Durif, A; Tordjman, I","Structure cristalline du polyphosphate de beryllium: Be (P O~3~)~2~ (II)","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3462","3464","10.1107/S0567740877011200","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007018","12.444","0.004","10.978","0.002","9.624","0.003","90","","124.41","0.02","90","","1084.7","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Tetrapotassium zinc bis(cyclo-triphosphate) tetrahydrate","","- H8 K4 O22 P6 Zn -","- H8 K4 O22 P6 Zn -","- H16 K8 O44 P12 Zn2 -","2","0.25","","Seethanen, D; Durif, A; Averbuch-Pouchot, M T","Structure cristalline du trimetaphosphate mixte de zinc-potassium tetrahydrate: K~4~ Zn (P~3~ O~9~)~2~ (H~2~ O)~3~","Acta Crystallographica B (24,1968-38,1982)","1978","34","","14","17","10.1107/S0567740878002204","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007019","11.1","0.02","10.71","0.02","7.224","0.005","90","","100.2","0.1","90","","845.2","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Nickel disodium tetrakis(dihydrogenphosphate) tetrahydrate","","- H16 Na2 Ni O20 P4 -","- H16 Na2 Ni O20 P4 -","- H32 Na4 Ni2 O40 P8 -","2","0.5","","Boudjada, A; Durif, A; Guitel, J C","Structure cristalline d'un monophosphate acide mixte de nickel-sodium tetrahydrate Na~2~ Ni H~8~ (P O~4~)~4~ (H~2~ O)~4~","Acta Crystallographica B (24,1968-38,1982)","1978","34","","17","20","10.1107/S0567740878002216","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007020","10.49","0.01","6.059","0.005","7.892","0.005","90","","116.28","0.05","90","","449.8","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tripotassium molybdate tetraoxorhenate(VII)","","- K3 Mo O8 Re -","- K3 Mo O8 Re -","- K6 Mo2 O16 Re2 -","2","0.25","","Silvestre, J P; Durif, A","Structure cristalline du molybdo-perrhenate de potassium K~3~ (Mo O~4~) (Re O~4~)","Journal of Solid State Chemistry","1978","24","","97","100","10.1016/S0022-4596(78)90187-1","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007021","18.38","0.09","8.258","0.003","5.952","0.002","90","","91.2","0.1","90","","903.2","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetramercury(I) nitrate phosphate hydrate","","- H2 Hg4 N O8 P -","- H2 Hg4 N O8 P -","- H8 Hg16 N4 O32 P4 -","4","1","","Durif, A; Tordjman, I; Masse, R; Guitel, J C","Structure cristalline du nitro-phosphate mercureux: Hg~4~ P O~4~ N O~3~ (H~2~ O)","Journal of Solid State Chemistry","1978","24","","101","105","10.1016/S0022-4596(78)90188-3","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007022","7.34","0.01","17.77","0.02","7.18","0.01","90","","95.24","0.05","90","","932.6","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Barium potassium cyclo-triphosphate hydrate","","- Ba H2 K O10 P3 -","- Ba H2 K O10 P3 -","- Ba4 H8 K4 O40 P12 -","4","1","","Seethanen, D; Durif, A","Structure cristalline du trimetaphosphate de baryum-potassium monohydrate: Ba K P~3~ O~9~ (H~2~ O)","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1091","1093","10.1107/S0567740878004987","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007023","7.528","0.002","8.09","0.002","6.272","0.001","113.68","0.02","81.56","0.02","105.77","0.02","336.3","","","","","","","","","","","","","3","P -1","-P 1","2","","Copper oxide bis(phosphate)","","- Cu4 O9 P2 -","- Cu4 O9 P2 -","- Cu8 O18 P4 -","2","1","","Brunel-Lauegt, M; Durif, A; Guitel, J C","Structure cristalline de Cu~4~ (P O~4~)~2~ O","Journal of Solid State Chemistry","1978","25","","39","47","10.1016/0022-4596(78)90041-5","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007024","8.032","0.005","7.013","0.005","7.202","0.005","109.36","0.08","104.46","0.08","96","0.08","362.7","","","","","","","","","","","","","4","P -1","-P 1","2","","Barium dihydrogenphosphate","","- Ba H4 O8 P2 -","- Ba H4 O8 P2 -","- Ba2 H8 O16 P4 -","2","1","","Durif, A; Guitel, J C","Structure de la forme triclinique du monophosphate acide de baryum","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1671","1672","10.1107/S0567740878006287","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007025","9.109","0.002","13.543","0.002","8.814","0.002","102.21","0.01","113.35","0.01","95.92","0.01","954.3","","","","","","","","","","","","","5","P -1","-P 1","2","","Zinc potassium hydrogenbis(phosphate) hydrate (2/1/1/2.5)","","- H6 K O10.5 P2 Zn2 -","- H4.5 K O10.5 P2 Zn2 -","- H18 K4 O42 P8 Zn8 -","4","2","","Tordjman, I; Durif, A; Averbuch-Pouchot, M T; Guitel, J C","Structure cristalline du monophosphate de zinc-potassium: Zn~2~ K H (P O~4~)~2~ (H~2~ O)~2.5~","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1143","1148","10.1107/S0567740875004682","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007026","7.8","0.005","7.796","0.005","9.276","0.005","115.15","0.05","115.15","0.05","88.93","0.05","453.1","","","","","","","","","","","","","4","P -1","-P 1","2","","SILVER CYCLO-TRIPHOSPHATE HYDRATE","","- Ag3 H2 O10 P3 -","- Ag3 H O10 P3 -","- Ag6 H2 O20 P6 -","2","1","","Bagieu-Beucher, M; Durif, A; Guitel, J C","Structure cristalline du trimetaphosphate d'argent monohydrate, Ag~3~ P~3~ O~9~ H~2~ O","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2264","2267","10.1107/S0567740875007364","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007027","26.52","0.03","7.625","0.005","12.92","0.01","90","","100.93","0.05","90","","2565.2","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","DIBARIUM ZINC CYCLO-TRIPHOSPHATE DECAHYDRATE","","- Ba2 H20 O28 P6 Zn -","- Ba2 H20 O28 P6 Zn -","- Ba8 H80 O112 P24 Zn4 -","4","0.5","","Durif, A; Averbuch-Pouchot, M T; Guitel, J C","Structure cristalline du trimetaphosphate de baryum-zinc decahydrate Ba~2~ Zn (P~3~ O~9~)~2~ (H~2~ O)~10~","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2680","2682","10.1107/S056774087500845X","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","186636","2020-10-21","18:00:00",""
"1007028","9.485","0.002","9.419","0.002","9.379","0.002","111.73","0.02","106.25","0.02","106.8","0.02","671","","","","","","","","","","","","","4","P -1","-P 1","2","","Dicopper dilithium cyclo-hexaphosphate","","- Cu2 Li2 O18 P6 -","- Cu2 Li2 O18 P6 -","- Cu4 Li4 O36 P12 -","2","1","","Laugt, M; Durif, A","Structure cristalline de l'hexametaphosphate de cuivrelithium, C U L P~6~ O~18~","Acta Crystallographica B (24,1968-38,1982)","1974","30","","2118","2121","10.1107/S0567740874006571","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007029","9.256","0.002","8.614","0.002","6.152","0.002","90","","90","","90","","490.5","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Silver dimercury(I) phosphate","","- Ag Hg2 O4 P -","- Ag Hg2 O4 P -","- Ag4 Hg8 O16 P4 -","4","0.5","","Masse, R; Guitel, J C; Durif, A","Structure cristalline du monophosphate Ag Hg~2~ P O~4~. Donnees cristallographiques sur Ag Hg~2~ As O~4~","Journal of Solid State Chemistry","1978","23","","369","373","10.1016/0022-4596(78)90086-5","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007030","6.968","0.005","7.148","0.005","6.544","0.005","110.82","0.03","96.11","0.03","91.05","0.03","302.4","","","","","","","","","","","","","3","P -1","-P 1","2","","Silver dichromate","","- Ag2 Cr2 O7 -","- Ag2 Cr2 O7 -","- Ag4 Cr4 O14 -","2","1","","Durif, A; Averbuch-Pouchot, M T","Structure du dichromate d'argent: Ag~2~ Cr~2~ O~7~","Acta Crystallographica B (24,1968-38,1982)","1978","34","","3335","3337","10.1107/S0567740878010821","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007031","9.607","0.004","13.7","0.01","7.037","0.003","90","","90","","90","","926.2","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cadmium catena-phosphate","","- Cd O6 P2 -","- Cd O6 P2 -","- Cd8 O48 P16 -","8","1","","Bagieu-Beucher, M; Guitel, J C; Tordjman, I; Durif, A","Affinement de la structure cristalline du polyphosphate de cadmium. Cd (P O~3~)~2~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1974","97","","481","484","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007032","7.446","0.005","12.461","0.01","10.05","0.008","90","","90.11","0.01","90","","932.5","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Calcium ammonium cyclo-triphosphate","","- Ca H4 N O9 P3 -","- Ca H4 N O9 P3 -","- Ca4 H16 N4 O36 P12 -","4","1","","Masse, R; Durif, A; Guitel, J C","Structure cristalline du trimetaphosphates Ca N H~4~ P~3~ O~9~, Ca K P~3~ O~9~, Ca Cs P~3~ O~9~ et Ca N H~4~ P~3~ O9 (H~2~ O)~3~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1975","141","","113","125","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007033","16.167","0.008","12.013","0.005","10.615","0.005","90","","90","","90","","2061.6","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Strontium sodium cyclo-triphosphate trihydrate","","- H6 Na O12 P3 Sr -","- H6 Na O12 P3 Sr -","- H48 Na8 O96 P24 Sr8 -","8","1","","Zilber, R; Tordjman, I; Durif, A; Guitel, J C","Structure cristalline du trimetaphosphate de strontium sodium trihydrate. Sr Na P~3~ O~9~ (H~2~ O)~3~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1974","140","","350","359","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007034","11.7","0.01","12.12","0.01","7.559","0.008","90","","101.05","0.05","90","","1052","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Barium ammonium cyclo-triphosphate hydrate","","- Ba H6 N O10 P3 -","- Ba H6 N O10 P3 -","- Ba4 H24 N4 O40 P12 -","4","1","","Durif, A; Marin, C; Bassi, G","Donnees cristallographiques sur Ba (N H~4~) P~3~ O~9~ (H~2~ O) et Ba Tl P~3~ O~9~ (H~2~ O). Structure cristalline de Ba (N H~4~) P~3~ O~9~ (H~2~ O)","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1975","98","","19","24","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1007035","4.852","0.004","9.553","0.008","3.255","0.004","90","","91.96","","90","","150.8","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Silver carbonate","","- C Ag2 O3 -","- C Ag2 O3 -","- C2 Ag4 O6 -","2","0.5","","Masse, R; Guitel, J C; Durif, A","Structure du carbonate d'argent","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1428","1429","10.1107/S0567740879006592","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1007036","14.4","0.02","16.31","0.02","9.831","0.005","90","","136.29","0.05","90","","1595.5","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Tetraammonium hexahydrogenhexaarsenatotetravanadate tetrahydrate","","- As6 H30 N4 O34 V4 -","- As6 H31.5 N4 O34 V4 -","- As12 H63 N8 O68 V8 -","2","0.25","","Durif, A; Averbuch-Pouchot, M T","Structure d'un arsenato vanadate d'ammonium. (N H~4~)~4~ H~6~ (As~6~ V~4~ O~30~) (H~2~ O)~4~","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1441","1444","10.1107/S0567740879006658","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007037","11.51","0.01","6.484","0.003","6.329","0.004","118.15","0.01","105.8","0.01","84.36","0.01","400.5","","","","","","","","","","","","","5","P -1","-P 1","2","","Tellurium(VI) hydroxide bis(diammonium hydrogenphosphate)","","- H24 N4 O14 P2 Te -","- H24 N4 O14 P2 Te -","- H24 N4 O14 P2 Te -","1","0.5","","Durif, A; Averbuch-Pouchot, M T; Guitel, J C","Structures de deux phosphotellurates. Te (O H)~6~ ((N H~4~)~2~ H P O~4~)~2~ Te (O H)~6~ (Na~2~ H P O~4~) (H~2~ O)","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1444","1447","10.1107/S056774087900666X","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007038","5.908","0.003","5.908","0.003","15.09","0.01","90","","90","","120","","456.1","","","","","","","","","","","","","5","P 63","P 6c","173","","Tellurium(VI) hydroxide (disodium hydrogenphosphate) hydrate","","- H9 Na2 O11 P Te -","- H14 Na2 O11 P Te -","- H28 Na4 O22 P2 Te2 -","2","0.333333","","Durif, A; Averbuch-Pouchot, M T; Guitel, J C","Structures de deux phosphotellurates. Te (O H)~6~ ((N H~4~)~2~ H P O~4~)~2~ et Te (O H)~6~ (Na~2~ H P O~4~) (H~2~ O)","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1444","1447","10.1107/S056774087900666X","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007039","11.94","0.02","13.21","0.01","16.63","0.01","102.46","0.05","97.31","0.05","88.61","0.05","2540.4","","","","","","","","","","","","","4","P -1","-P 1","2","","Hexaammonium hexahydrogendodecatungstate decahydrate","","- H50 N6 O52 W12 -","- H69 N6 O52 W12 -","- H138 N12 O104 W24 -","2","1","","Averbuch-Pouchot, M T; Tordjman, I; Durif, A; Guitel, J C","Structure d'un paratungstate d'ammonium (N H~4~)~6~ H~6~ W~12~ O~42~ (H~2~ O)~10~","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1675","1677","10.1107/S0567740879007378","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1007040","12.881","0.005","12.771","0.005","12.424","0.005","90","","91.34","0.05","90","","2043.2","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Holmium phyllo-14-oxopentaphosphate","","- Ho O14 P5 -","- Ho O14 P5 -","- Ho8 O112 P40 -","8","1","","Bagieu, M; Tordjman, I; Durif, A; Bassi, G","Holmium ultraphosphate, Ho P~5~ O~14~","Crystal Structure Communications","1973","2","","387","390","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007041","14.48","0.05","6.974","0.002","15.86","0.05","90","","93.25","0.03","90","","1599","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diammonium cadmium dichromate dihydrate","","- Cd Cr4 H12 N2 O16 -","- Cd Cr4 H12 N2 O16 -","- Cd4 Cr16 H48 N8 O64 -","4","0.5","","Blum, D; Durif, A; Guitel, J C","Structure du dichromate de cadmium et d'ammonium dihydrate: Cd (N H~4~)~2~ (Cr~2~ O~7~)~2~ (H~2~ O)~2~","Acta Crystallographica B (24,1968-38,1982)","1980","36","","137","139","10.1107/S0567740880002622","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007042","9.559","0.005","7.196","0.005","8.983","0.005","90","","93.73","0.05","90","","616.6","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Copper dipotassium dihydrogen phosphatochromate","","- Cr2 Cu H2 K2 O14 P2 -","- Cr2 Cu H5 K2 O14 P2 -","- Cr4 Cu2 H10 K4 O28 P4 -","2","0.5","","Coing-Boyat, J; Durif, A; Guitel, J C","Structure cristalline d'un phosphochromate acide de cuivre potassium: Cu K~2~ H~2~ (P Cr O~7~)~2~","Journal of Solid State Chemistry","1979","30","","329","334","10.1016/0022-4596(79)90244-5","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007043","6.026","0.005","6.026","0.005","6.026","0.005","90","","90","","90","","218.8","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Silver phosphate","","- Ag3 O4 P -","- Ag3 O4 P -","- Ag6 O8 P2 -","2","0.0833333","","Masse, R; Tordjman, I; Durif, A","Affinement de la structure cristalline du monophosphate d'argent Ag~3~ P O~4~. Existence d'une forme haute temperature","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","76","81","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007044","11.65","0.05","10.85","0.05","8.56","0.01","101.23","0.05","99.44","0.05","105.48","0.05","995.7","","","","","","","","","","","","","4","P -1","-P 1","2","","Hexasodium decavanadate 18-hydrate","","- H36 Na6 O46 V10 -","- H36 Na6 O46 V10 -","- H36 Na6 O46 V10 -","1","0.5","","Durif, A; Averbuch-Pouchot, M T; Guitel, J C","Structure d'un Decavanadate d'Hexasodium Hydrate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","680","682","10.1107/S0567740880004116","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007045","5.95","0.003","20.52","0.01","5.829","0.003","90","","119.89","0.05","90","","617","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(disilver hydrogenphosphate) tellurium(VI) hexahydroxide","","- Ag4 H8 O14 P2 Te -","- Ag4 H6 O14 P2 Te -","- Ag8 H12 O28 P4 Te2 -","2","0.5","","Durif, A; Averbuch-Pouchot, M T","Crystal structure of a silver phosphate-tellurate: Te (O H)~6~ (Ag~2~ H P O~4~)~2~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","472","","129","132","10.1002/zaac.19814720115","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007046","12.43","","12.43","","12.43","","90","","90","","90","","1920.5","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Disodium calcium ditin(IV) trigermanium oxide","","- Ca Ge3 Na2 O12 Sn2 -","- Ca0.999 Ge3 Na2.001 O12 Sn2 -","- Ca7.992 Ge24 Na16.008 O96 Sn16 -","8","0.0833333","","Durif, A; Maupin, G","Etude de deux germanates du type grenat","Acta Crystallographica (1,1948-23,1967)","1961","14","","440","441","10.1107/S0365110X61001418","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007047","12.359","","12.359","","12.359","","90","","90","","90","","1887.8","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Disodium calcium dititanium trigermanium oxide","","- Ca Ge3 Na2 O12 Ti2 -","- Ca0.999 Ge3 Na2.001 O12 Ti2 -","- Ca7.992 Ge24 Na16.008 O96 Ti16 -","8","0.0833333","","Durif, A; Maupin, G","Etude de deux germanates du type grenat","Acta Crystallographica (1,1948-23,1967)","1961","14","","440","441","10.1107/S0365110X61001418","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007048","9.512","0.006","11.74","0.02","14.74","0.02","90","","106.13","0.05","90","","1581.2","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Potassium tetrakis(chromato)phosphate","","- Cr4 K3 O16 P -","- Cr4 K3 O16 P -","- Cr16 K12 O64 P4 -","4","1","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Crystal structure of K~3~ P Cr~4~ O~16~: A second example of a quaternary phosphorus","Journal of Solid State Chemistry","1981","38","","253","258","10.1016/0022-4596(81)90042-6","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007049","10.13","","10.13","","7.098","","90","","90","","120","","630.8","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Nickel ammonium catena-phosphate","","- H4 N Ni O9 P3 -","- H4.67 N Ni O9 P3 -","- H14.01 N3 Ni3 O27 P9 -","3","0.166667","","Tordjman, I; Tranqui, D; Durif, A; Averbuch, M T","Structure cristalline du metaphosphate de nickel-ammonium rhomboedrique Ni N H~4~ (P O~3~)~3~. Donnees cristallographique sur les metaphosphates rhomboedriques du type M^II^ N H~4~ (P O~3~)3 (M^II^ = Ni, Co, Mg)","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1968","91","","242","246","","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007050","4.51","0.002","13.44","0.02","8.36","0.05","90","","90","","90","","506.7","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Barium catena-phosphate","","- Ba O6 P2 -","- Ba O6 P2 -","- Ba4 O24 P8 -","4","1","","Grenier, J C; Martin, C; Durif, A; Tranqui, D; Guitel, J C","Une nouvelle forme du metaphosphate de baryum Ba (P O~3~)~2~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","24","31","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007051","5.652","","5.81","","8.75","","90","","90","","90","","287.3","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Copper lithium vanadate","","- Cu Li O4 V -","- Cu Li O4 V -","- Cu4 Li4 O16 V4 -","4","0.25","","Durif, A; Grenier, J C; Joubert, J C; Duc Tran Qui","Structure cristallographique de l'orthovanadate de lithium-cuivre, V Li Cu O~4~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1966","89","","407","409","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007052","6.243","0.002","6.647","0.002","13.405","0.002","73.14","0.05","103.05","0.05","116.97","0.05","471.6","","","","","","","","","","","","","5","P -1","-P 1","2","","Dipotassium tellurium(VI) sulfate hexahydroxide","","- H6 K2 O10 S Te -","- H6 K2 O10 S Te -","- H12 K4 O20 S2 Te2 -","2","1","","Zilber, R; Durif, A; Averbuch-Pouchot, M T","Structure of Potassium Sulfate Tellurate: Te (O H)~6~ K~2~ S O~4~","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2743","2745","10.1107/S0567740880009843","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007053","5.69","0.05","7.42","0.04","8.6","0.06","105.17","0.01","95.13","0.05","91.85","0.08","348.4","","","","","","","","","","","","","4","P -1","-P 1","2","","Cadmium decahydrogentetrakis(arsenate)","","- As4 Cd H10 O16 -","- As4 Cd H5 O16 -","- As4 Cd H5 O16 -","1","0.5","","Boudjada, A; Durif, A; Guitel, J C","Structure d'un Orthoarsenate Acide de Cadmium: Cd H~10~ (As O~4~)~4~","Acta Crystallographica B (24,1968-38,1982)","1980","36","","133","135","10.1107/S0567740880002609","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007054","5.084","","5.084","","11.226","","90","","90","","90","","290.2","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Germanium uranium(IV) oxide","","- Ge O4 U -","- Ge O4 U -","- Ge4 O16 U4 -","4","0.25","","Durif, A","Structure de Ge U O~4~","Acta Crystallographica (1,1948-23,1967)","1956","9","","533","533","10.1107/S0365110X56001418","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007055","7.352","0.002","10.425","0.002","5.406","0.002","90","","93.79","0.02","90","","413.4","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","CADMIUM DIHYDROGENPHOSPHATE DIHYDRATE","","- Cd H8 O10 P2 -","- Cd H4 O10 P2 -","- Cd2 H8 O20 P4 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C; Tordjman, I; Laugt, M","Structure cristalline de Cd (H~2~ P O~4~)~2~ (H~2~ O)~2~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1973","96","","278","280","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007056","12.228","0.005","12.228","0.005","5.451","0.003","90","","90","","120","","705.9","","","","","","","","","","","","","4","P -3","-P 3","147","","CADMIUM CYCLO-TRIPHOSPHATE 14-HYDRATE","","- Cd3 H28 O32 P6 -","- Cd3 H16.667 O25.333 P6 -","- Cd3 H16.667 O25.333 P6 -","1","0.166667","","Averbuch-Pouchot, M T; Durif, A; Tordjman, I","Cadmium trimetaphosphate tetradecahydrate, Cd~3~ (P~3~ O~9~)~2~ (H~2~ O)~14~","Crystal Structure Communications","1973","2","","89","90","","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007057","9.88","0.005","5.733","0.002","7.432","0.004","90","","94.1","0.05","90","","419.9","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Tripotassium calcium hydrogenbis(phosphate)","","- Ca H K3 O8 P2 -","- Ca H0.5 K3 O8 P2 -","- Ca2 H K6 O16 P4 -","2","0.25","","Grenier, J C; Durif, A; Martin, C","Structure cristalline de Ca K~3~ H (P O~4~)~2~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1969","92","","30","32","","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007058","9.77","0.006","9.77","0.006","9.77","0.006","90","","90","","90","","932.6","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Potassium dititanium phosphate","","- K O12 P3 Ti2 -","- K O12 P3 Ti2 -","- K4 O48 P12 Ti8 -","4","0.333333","","Masse, R; Durif, A; Guitel, J C; Tordjman, I","Structure cristalline du monophosphate lacunaire K Ti~2~ (P O~4~)~3~. Monophosphates lacunaires Nb Ge (P O~4~)~3~ et M(V) Ti (P O~4~)~3~ pour M(V) = Sb, Nb, Ta","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1972","95","","47","55","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007059","5.182","","11.544","","13.06","","90","","97.16","","90","","775.2","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ammonium copper catena-phosphate","","- Cu H4 N O9 P3 -","- Cu H4 N O9 P3 -","- Cu4 H16 N4 O36 P12 -","4","1","","Laugt, M; Durif, A","Etude systematique des phosphates condenses","Seminaire de Chimie de l'Etat Solide 1971-72","1972","1972","","157","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007060","12.562","","8.088","","9.574","","90","","118.58","","90","","854.2","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Copper cyclo-tetraphosphate","","- Cu2 O12 P4 -","- Cu2 O12 P4 -","- Cu8 O48 P16 -","4","0.5","","Laugt, M; Durif, A","Etude systematique des phosphates condenses","Seminaire de Chimie de l'Etat Solide 1971-72","1972","1972","","157","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007061","7.445","","7.445","","10.17","","90","","90","","90","","563.7","","","","","","","","","","","","","4","I -4","I -4","82","","Dipotassium strontium catena-phosphate","","- K2 O12 P4 Sr -","- K2 O12 P4 Sr -","- K4 O24 P8 Sr2 -","2","0.25","","Tordjman, I; Martin, C; Durif, A","Structure cristalline du tetrametaphosphate de strontium-potassium: Sr K~2~ (P O~3~)~4~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","293","298","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007062","6.77","0.003","6.77","0.003","6.079","0.003","90","","90","","120","","241.3","","","","","","","","","","","","","4","P -6","P -6","174","","Cerium cyclo-triphosphate trihydrate","","- Ce H6 O12 P3 -","- Ce H6 O12 P3 -","- Ce H6 O12 P3 -","1","0.166667","","Bagieu-Beucher, M; Tordjman, I; Durif, A","Structure cristalline du trimetaphosphate de cerium(III) trihydrate: Ce P~3~ O~9~ (H~2~ O)~3~","Revue de Chimie Minerale","1971","8","","753","760","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007063","15.61","0.04","7.456","0.002","14.84","0.04","90","","108.01","0.05","90","","1642.6","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tellurium tripotassium hexahydroxide cyclo-triphosphate dihydrate","","- H10 K3 O17 P3 Te -","- H10 K3 O17 P3 Te -","- H40 K12 O68 P12 Te4 -","4","1","","Boudjada, N.; Averbuch-Pouchot, M. T.; Durif, A.","Structure d'un Trimetaphosphate-Tellurate de Potassium Dihydrate Te (O H)~6~ K~3~ P~3~ O~9~ (H~2~ O)~2~","Acta Crystallographica B (24,1968-38,1982)","1981","37","","647","649","10.1107/S0567740881003774","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","189207","2020-10-21","18:00:00",""
"1007064","13.741","0.008","6.631","0.002","11.405","0.007","90","","106.75","0.05","90","","995.1","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Tellurium diammonium hexahydroxide sulfate","","- H14 N2 O10 S Te -","- H28 N2 O10 S Te -","- H112 N8 O40 S4 Te4 -","4","1","","Zilber, R; Durif, A; Averbuch-Pouchot, M T","Structure of Ammonium Sulfate Tellurate Te (O H)~6~ (N H~4~)~2~ S O~4~","Acta Crystallographica B (24,1968-38,1982)","1981","37","","650","652","10.1107/S0567740881003786","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007065","5.652","0.005","5.81","0.005","8.75","0.005","90","","90","","90","","287.3","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Vanadium lithium copper oxide","","- Cu Li O4 V -","- Cu Li O4 V -","- Cu4 Li4 O16 V4 -","4","0.25","","Joubert, J C; Grenier, J C; Durif, A","Etude cristallographique de l'orthovanadate de lithium-cuivre.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1965","260","","2472","2475","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007066","8.193","0.003","8.193","0.003","8.193","0.003","90","","90","","90","","550","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","Trimanganese(IV) dilithium zinc oxide","","- Li2 Mn3 O8 Zn -","- Li2 Mn3 O8 Zn -","- Li8 Mn12 O32 Zn4 -","4","0.166667","","Joubert, J C; Durif, A","Etude de deux types d'ordre dans le spinelle Mn~3~ Li~2~ Zn O~8~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1964","258","","4482","4485","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007067","8.192","0.003","8.192","0.003","8.192","0.003","90","","90","","90","","549.8","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Trimanganese(IV) dilithium zinc oxide","","- Li2 Mn3 O8 Zn -","- Li2 Mn3 O8 Zn -","- Li8 Mn12 O32 Zn4 -","4","0.333333","","Joubert, J C; Durif, A","Etude de deux types d'ordre dans le spinelle Mn~3~ Li~2~ Zn O~8~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1964","258","","4482","4485","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007068","4.945","0.005","4.945","0.005","23.61","0.02","90","","90","","120","","500","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Barium dinickel arsenate","","- As2 Ba Ni2 O8 -","- As2 Ba Ni2 O8 -","- As6 Ba3 Ni6 O24 -","3","0.166667","","Eymond, S; Durif, A; Martin, C","Structure cristalline du monoarseniate de nickelbaryum: Ba Ni~2~ (As O~4~)~2~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","268","","1694","1696","","","","","","","0.106","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007069","8.19","0.002","8.19","0.002","8.19","0.002","90","","90","","90","","549.4","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","Trigermanium zinc dilithium oxide","","- Ge3 Li2 O8 Zn -","- Ge3 Li2 O8 Zn -","- Ge12 Li8 O32 Zn4 -","4","0.166667","","Durif, A; Joubert, J C","Etude de deux germanates spinelles.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1962","255","","2471","2473","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007070","8.204","0.002","8.204","0.002","8.204","0.002","90","","90","","90","","552.2","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","Trigermanium cobalt dilithium oxide","","- Co Ge3 Li2 O8 -","- Co Ge3 Li2 O8 -","- Co4 Ge12 Li8 O32 -","4","0.166667","","Durif, A; Joubert, J C","Etude de deux germanates spinelles.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1962","255","","2471","2473","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007071","12.053","0.005","7.205","0.001","12.354","0.006","90","","110.85","0.05","90","","1002.6","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Thallium sulfate hexahydroxotellurate","","- H6 O10 S Te Tl2 -","- H6 O10 S Te Tl2 -","- H24 O40 S4 Te4 Tl8 -","4","1","","Zilber, R; Durif, A; Averbuch-Pouchot, M T","Structure of Thallium Sulfate Tellurate (Te (O H)~6~) (Tl~2~ S O~4~)","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1554","1556","10.1107/S0567740882006359","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007072","8.24","0.01","11.38","0.01","5.906","0.008","90","","90","","90","","553.8","","","","","","","","","","","","","3","A c a m","-A 2 2ab","64","","Nickel vanadate","","- Ni3 O8 V2 -","- Ni3 O8 V2 -","- Ni12 O32 V8 -","4","","","Fuess, H; Bertaut, E F; Pauthenet, R; Durif, A","Structure aux Rayons X, Neutrons et Proprietes Magnetiques des Orthovanadates de Nickel et de Cobalt","Acta Crystallographica B (24,1968-38,1982)","1970","26","","2036","2046","10.1107/S0567740870005344","","","","","","0.124","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007073","8.24","0.01","11.38","0.01","5.906","0.008","90","","90","","90","","553.8","","","","","","","","","","","","","3","A c a m","-A 2 2ab","64","","Nickel vanadate","","- Ni3 O8 V2 -","- Ni3 O8 V2 -","- Ni12 O32 V8 -","4","","","Fuess, H; Bertaut, E F; Pauthenet, R; Durif, A","Structure aux Rayons X, Neutrons et Proprietes Magnetiques des Orthovanadates de Nickel et de Cobalt","Acta Crystallographica B (24,1968-38,1982)","1970","26","","2036","2046","10.1107/S0567740870005344","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007074","8.3","0.01","11.5","0.01","6.03","0.005","90","","90","","90","","575.6","","","","","","","","","","","","","3","A c a m","-A 2 2ab","64","","Cobalt vanadate","","- Co3 O8 V2 -","- Co3 O8 V2 -","- Co12 O32 V8 -","4","","","Fuess, H; Bertaut, E F; Pauthenet, R; Durif, A","Structure aux Rayons X, Neutrons et Proprietes Magnetiques des Orthovanadates de Nickel et de Cobalt","Acta Crystallographica B (24,1968-38,1982)","1970","26","","2036","2046","10.1107/S0567740870005344","","","","","","0.14","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007075","8.3","0.01","11.5","0.01","6.03","0.005","90","","90","","90","","575.6","","","","","","","","","","","","","3","A c a m","-A 2 2ab","64","","Cobalt vanadate","","- Co3 O8 V2 -","- Co3 O8 V2 -","- Co12 O32 V8 -","4","","","Fuess, H; Bertaut, E F; Pauthenet, R; Durif, A","Structure aux Rayons X, Neutrons et Proprietes Magnetiques des Orthovanadates de Nickel et de Cobalt","Acta Crystallographica B (24,1968-38,1982)","1970","26","","2036","2046","10.1107/S0567740870005344","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007076","8.523","","8.523","","8.523","","90","","90","","90","","619.1","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Cobalt antimony oxide (18.7/5.3/32)","","- Co18.669 O32.004 Sb5.334 -","- Co18.6672 O32 Sb5.3328 -","- Co18.6672 O32 Sb5.3328 -","1","0.00520833","","Dulac, J; Durif, A","Etude de deux antimoniates spinelles.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1960","251","","747","749","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007077","8.594","","8.594","","8.594","","90","","90","","90","","634.7","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Zinc antimony oxide (18.7/5.3/32)","","- O32.004 Sb5.334 Zn18.669 -","- O32 Sb5.3328 Zn18.6672 -","- O32 Sb5.3328 Zn18.6672 -","1","0.00520833","","Dulac, J; Durif, A","Etude de deux antimoniates spinelles.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1960","251","","747","749","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007078","8.359","","8.359","","8.359","","90","","90","","90","","584.1","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Tetralithium heptatitanium oxide","","- Li4 O16 Ti7 -","- Li4 O16 Ti7 -","- Li8 O32 Ti14 -","2","0.0104167","","Bertaut, F; Durif, A","Existence d'un spinelle 1.4, a cations mono- et tetravalents.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1953","236","","212","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007079","5.55","","8.85","","4.805","","90","","90","","90","","236","","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","Ammonium cobalt phosphate hydrate","","- Co H6 N O5 P -","- Co H6 N O5 P -","- Co2 H12 N2 O10 P2 -","2","0.5","","Tranqui, D; Durif, A; Guitel, J C; Averbuch-Pouchot, M T","Structure cristalline des composes du type N H~4~ M(II) P O~4~ (H~2~ O)","Bulletin de la Societe Chimique de France (Vol=Year)","1968","1968","","1759","1760","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007080","6.605","","6.605","","9.772","","90","","90","","120","","369.2","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Potassium magnesium catena-phosphate","","- K Mg O9 P3 -","- K Mg O9 P3 -","- K2 Mg2 O18 P6 -","2","0.166667","","Masse, R; Grenier, J C; Durif, A","Trimetaphosphates mixtes N H~4~ M(II) P~3~ O~9~ isomorphes de la benitoite","Bulletin de la Societe Chimique de France (Vol=Year)","1968","1968","","1741","1742","","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007081","8.429","0.002","8.429","0.002","8.429","0.002","90","","90","","90","","598.9","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Trilithium niobium oxide","","- Li3 Nb O4 -","- Li3 Nb O4 -","- Li24 Nb8 O32 -","8","0.333333","","Grenier, J C; Martin, C; Durif, A","Etude cristallographique des orthoniobates et orthotantalates de lithium","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1964","87","","316","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007082","13.81","0.01","8.166","0.008","9.675","0.008","90","","90","","90","","1091.1","","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Potassium tetrazinc phosphate","","- K O12 P3 Zn4 -","- K O12 P3 Zn4 -","- K4 O48 P12 Zn16 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Structure du Monophosphate de Potassium-Zinc: K Zn~4~ (P O~4~)~3~","Acta Crystallographica B (24,1968-38,1982)","1979","35","","151","152","10.1107/S0567740879002806","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007083","7.712","0.003","7.712","0.003","14.644","0.008","90","","90","","120","","754.3","","","","","","","","","","","","","5","P 31","P 31","144","","Dipotassium hydrogenbis(chromato)arsenate","","- As Cr2 H K2 O10 -","- As Cr2 H K2 O10 -","- As3 Cr6 H3 K6 O30 -","3","1","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Structure de l'Hydrogenobis(chromato)arsenate de Potassium K~2~ H Cr~2~ As O~10~ et Donnees Cristallographiques sur K~2~ H Cr~2~ P O~10~","Acta Crystallographica B (24,1968-38,1982)","1978","34","","3725","3727","10.1107/S0567740878011978","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007084","7.268","0.004","8.151","0.005","7.851","0.005","121.52","0.05","102.06","0.05","73","0.05","378.3","","","","","","","","","","","","","4","P -1","-P 1","2","","Lead tetrasodium cyclo-triphosphate","","- Na4 O18 P6 Pb -","- Na4 O18 P6 Pb -","- Na4 O18 P6 Pb -","1","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal structure of lead-tetrasodium trimetaphosphate: Pb Na~4~ (P~3~ O~9~)~2~, Crystal data for Ba Na~4~ (P~3~ O~9~)~2~","Zeitschrift fuer Kristallographie (149,1979-)","1983","164","","307","313","","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007085","21.738","0.015","5.356","0.005","10.748","0.008","90","","99.65","0.03","90","","1233.7","","","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","Dibarium trizink catena-phosphate","","- Ba2 O30 P10 Zn3 -","","","2","0.5","","Bagieu-Beucher, M; Durif, A; Guitel, J C","Ba~2~ Zn~3~ P~10~ O~30~, the first example of a Decametaphosphate Ring","Journal of Solid State Chemistry","1981","40","","248","248","10.1016/0022-4596(81)90388-1","","","","","","0.041","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007086","15.56","0.01","8.358","0.003","13.72","0.01","90","","113.27","0.05","90","","1639.1","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Rubidium cyclo-triphosphate telluric acid hydrate","","- H8 O16 P3 Rb3 Te -","- H6 O16 P3 Rb3 Te -","- H24 O64 P12 Rb12 Te4 -","4","1","","Boudjada, N; Durif, A","Structure d'un trimetaphosphate-tellurate de rubidium monohydrate: Te (O H)~6~ Rb~3~ P~3~ H~2~ O","Acta Crystallographica B (24,1968-38,1982)","1982","38","","595","597","10.1107/S0567740882003458","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007087","11.845","0.006","8.554","0.005","7.433","0.005","66.28","0.05","95.91","0.05","76","0.05","651.8","","","","","","","","","","","","","5","P -1","-P 1","2","","Tetraammonium cyclo-tetraphosphate bis(telluric acid) dihydrate","","- H32 N4 O26 P4 Te2 -","- H32 N4 O26 P4 Te2 -","- H32 N4 O26 P4 Te2 -","1","0.5","","Durif, A; Averbuch-Pouchot, M T; Guitel, J C","(N H~4~)~4~ P~4~ O~12~ (Te (O H)~6~)~2~ (H~2~ O)~2~, the first Example of a Tetrametaphosphate-Tellurate","Journal of Solid State Chemistry","1982","41","","153","159","10.1016/0022-4596(82)90197-9","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007088","7.951","0.004","12.645","0.008","4.922","0.002","90","","100.92","0.05","90","","485.9","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Manganese(III) hydrogen diphosphate","","- H Mn O7 P2 -","- H Mn O7 P2 -","- H4 Mn4 O28 P8 -","4","1","","Durif, A; Averbuch-Pouchot, M T","Structure du Diphosphate Acide de Manganese(III): Mn H P~2~ O~7~","Acta Crystallographica B (24,1968-38,1982)","1982","38","","2883","2885","10.1107/S0567740882010206","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007089","21.738","0.015","5.356","0.005","10.748","0.008","90","","99.65","0.03","90","","1233.7","","","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","Dibarium trizinc catena-phosphate","","- Ba2 O30 P10 Zn3 -","- Ba2 O30 P10 Zn3 -","- Ba4 O60 P20 Zn6 -","2","0.5","","Bagieu-Beucher, M; Durif, A; Guitel, J C","Crystal Structure of a Barium-Zinc Decametaphosphate Ba~2~ Zn~3~ P~10~ O~30~","Journal of Solid State Chemistry","1982","45","","159","163","10.1016/0022-4596(82)90271-7","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007090","4.849","","4.849","","10.501","","90","","90","","90","","246.9","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Hafnium germanate","","- Ge Hf O4 -","- Ge Hf O -","- Ge4 Hf4 O4 -","4","0.25","","Durif, A","Structure du germanate d'hafnium","Acta Crystallographica (1,1948-23,1967)","1961","14","3","312","312","10.1107/S0365110X61000942","","","","","","","","","","","","","","","","","","","","","has coordinates","188424","2020-10-21","18:00:00",""
"1007091","14.58","","14.58","","14.58","","90","","90","","90","","3099.4","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Zinc sodium catena-phosphate","","- Na O9 P3 Zn -","- Na O9 P3 Zn -","- Na16 O144 P48 Zn16 -","16","0.333333","","Averbuch-Pouchot, M T; Durif, A","Crystal Chemistry of M(II) Ag (P O~3~)~3~ Polyphosphates for M(II) = Zn,Co,Ni,Mg and M(II)~4~ Na~4~ (P~4~ O~12~)~3~ Tetrametaphosphates for M(II)=Zn,Co,Ni: Crystal Structures of Zn Ag (P O~3~)~3~ and Zn~4~ Na~4~ (P~4~ O~12~)~3~","Journal of Solid State Chemistry","1983","49","","341","352","10.1016/S0022-4596(83)80012-7","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007092","13.95","","10.735","","9.951","","90","","90","","90","","1490.2","","","","","","","","","","","","","4","P c c a","-P 2a 2ac","54","","Zinc silver catena-phosphate","","- Ag O9 P3 Zn -","- Ag O9 P3 Zn -","- Ag8 O72 P24 Zn8 -","8","1","","Averbuch-Pouchot, M T; Durif, A","Crystal Chemistry of M(II) Ag (P O~3~)~3~ Polyphosphates for M(II) = Zn,Co,Ni,Mg and M(II)~4~ Na~4~ (P~4~ O~12~)~3~ Tetrametaphosphates for M(II)=Zn,Co,Ni: Crystal Structures of Zn Ag (P O~3~)~3~ and Zn~4~ Na~4~ (P~4~ O~12~)~3~","Journal of Solid State Chemistry","1983","49","","341","352","10.1016/S0022-4596(83)80012-7","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007093","7.241","0.005","13.314","0.008","7.241","0.005","90.35","0.05","107.5","0.05","90.28","0.05","665.7","","","","","","","","","","","","","5","P 1","P 1","1","","Cerium diammonium catena-phosphate","","- Ce H8 N2 O15 P5 -","- Ce H8 N2 O15 P5 -","- Ce2 H16 N4 O30 P10 -","2","2","","Rzaigui, M; Ariguib, K; Averbuch-Pouchot, M T; Durif, A","Crystal Structure of Cerium(III) Diammonium Polyphosphate (N H~4~)~2~ Ce (P O3)5","Journal of Solid State Chemistry","1983","50","","240","246","10.1016/0022-4596(83)90193-7","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007094","15.23","0.01","15.23","0.01","15.23","0.01","90","","90","","90","","3532.6","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Ammonium cerium cyclo-tetraphosphate","","- Ce H4 N O12 P4 -","- Ce H5.33333 N O12 P4 -","- Ce12 H64 N12 O144 P48 -","12","0.25","","Rzaigui, M; Averbuch-Pouchot, M T; Durif, A","Affinement de la Structure du Tetrametaphosphate d'Ammonium et de Cerium, Ce N H~4~ P~4~ O~12~. Relation Entre la Forme Cubique des Composes du Type Ln M^I^ P~4~ O~12~ et le Tetrametaphosphate d'Aluminium Al~4~ (P~4~ O~12~)~3~","Acta Crystallographica C (39,1983-)","1983","39","","1612","1613","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007095","9.734","0.002","8.889","0.002","4.963","0.001","90","","108.49","0.05","90","","407.3","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Zinc catena-phosphate","","- O6 P2 Zn -","- O6 P2 Zn -","- O24 P8 Zn4 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A; Bagieu-Beucher, M","Structure d'un Polyphosphate de Zinc, Zn (P O~3~)~2~","Acta Crystallographica C (39,1983-)","1983","39","","25","26","","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007096","15.98","0.08","7.226","0.005","6.253","0.005","109.49","0.06","84.34","0.07","101.83","0.07","665.9","","","","","","","","","","","","","5","P -1","-P 1","2","","Potassium hydrogendiphosphate (telluric acid) hydrate","","- H9 K3 O14 P2 Te -","- H9 K3 O14 P2 Te -","- H18 K6 O28 P4 Te2 -","2","1","","Averbuch-Pouchot, M T; Durif, A","Structure of a potassium diphosphate tellurate hydrate (K~3~ H P~2~ O~7~) (Te (O H)~6~) (H~2~ O)","Acta Crystallographica C (39,1983-)","1983","39","","27","28","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007097","9.631","0.003","5.416","0.002","16.938","0.008","90","","102.6","0.05","90","","862.2","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Sodium phosphate hemihydrate","","- H Na3 O4.5 P -","- H Na3 O4.5 P -","- H8 Na24 O36 P8 -","8","1","","Averbuch-Pouchot, M T; Durif, A","Crystal Structure of Na~3~ P O~4~ (H~2~ O)~.5~","Journal of Solid State Chemistry","1983","46","","193","196","10.1016/0022-4596(83)90141-X","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007098","7.788","0.005","7.809","0.005","7.129","0.005","116.69","0.05","103.41","0.05","81.94","0.05","376.5","","","","","","","","","","","","","4","P -1","-P 1","2","","Disodium hydrogencyclo-triphosphate","","- H Na2 O9 P3 -","- H Na2 O9 P3 -","- H2 Na4 O18 P6 -","2","1","","Averbuch-Pouchot, M T; Guitel, J C; Durif, A","Structure d'un Trimetaphosphate Acide de Sodium: Na~2~ H P~3~ O~9~","Acta Crystallographica C (39,1983-)","1983","39","","809","810","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007099","9.838","0.005","9.838","0.005","5.003","0.003","90","","90","","90","","484.2","","","","","","","","","","","","","4","P 4/n b m :2","-P 4a 2b","125","","Strontium disodium cyclo-tetraphosphate","","- Na2 O12 P4 Sr -","- Na2 O12 P4 Sr -","- Na4 O24 P8 Sr2 -","2","0.125","","Averbuch-Pouchot, M T; Durif, A","Structure d'un Tetrametaphosphate de Sodium-Strontium: Sr Na~2~ P~4~ O~12~","Acta Crystallographica C (39,1983-)","1983","39","","811","812","","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007100","18.82","0.004","10.89","0.03","13.925","0.003","90","","90","","90","","2853.9","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Silver divanadate","","- Ag4 O7 V2 -","- Ag4 O7 V2 -","- Ag64 O112 V32 -","16","2","","Masse, R; Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Chemical Preparation and Crystal Structure of Silver Pyrovanadate, Ag~4~ V~2~ O~7~","Acta Crystallographica C (39,1983-)","1983","39","","1608","1610","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007101","7.458","","7.458","","7.458","","44.28","","44.28","","44.28","","183.8","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Tristrontium vanadate","","- O8 Sr3 V2 -","","","","","","Durif, A","Structure cristalline des orthovanadates et orthoarseniates de baryum et de strontium.","Acta Crystallographica (1,1948-23,1967)","1959","12","","420","421","10.1107/S0365110X5900127X","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1007102","7.399","","7.399","","7.399","","44.32","","44.32","","44.32","","179.7","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Tristrontium arsenate","","- As2 O8 Sr3 -","","","","","","Durif, A","Structure cristalline des orthovanadates et orthoarseniates de baryum et de strontium.","Acta Crystallographica (1,1948-23,1967)","1959","12","","420","421","10.1107/S0365110X5900127X","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1007103","7.81","","7.81","","5.17","","90","","90","","90","","315.3","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Calcium lanthanum trialuminium oxide","","- Al3 Ca La O7 -","","","2","0.25","","Durif, A; Forrat, F","Gallates et aluminates isomorphes de la Gehlenite","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1958","81","","107","109","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007104","14.1","","14.1","","9.498","","90","","90","","120","","1635.3","","","","","","","","","","","","","4","","","","","Lithium vanadium zinc oxide","","- Li O4 V Zn -","","","","","","Durif, A","Etude cristallographique de deux composes du type Phenacite","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1961","84","","322","323","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1007105","14","","14","","9.383","","90","","90","","120","","1592.7","","","","","","","","","","","","","4","","","","","Lithium arsenic(IV) zinc oxide","","- As Li O7 Zn -","","","","","","Durif, A","Etude cristallographique de deux composes du type Phenacite","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1961","84","","322","323","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1007106","5.045","","5.045","","11.167","","90","","90","","90","","284.2","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Cerium(IV) germanium oxide","","- Ce Ge O4 -","","","4","0.25","","Bertaut, F; Durif, A","Etude des germanates de zirconium, cerium et thorium.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1954","238","","2173","2175","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1007107","5.14","","5.14","","11.54","","90","","90","","90","","304.9","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Thorium germanium oxide","","- Ge O4 Th -","","","4","0.25","","Bertaut, F; Durif, A","Etude des germanates de zirconium, cerium et thorium.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1954","238","","2173","2175","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1007108","10.369","","10.369","","10.369","","90","","90","","90","","1114.8","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Trilead strontium sulfate bis(phosphate)","","- O12 P2 Pb3 S Sr -","","","4","0.0833333","","Durif, A","Etude d'une serie de phosphosulfates isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","245","","1151","1152","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007109","10.296","","10.296","","10.296","","90","","90","","90","","1091.5","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Trilead calcium sulfate bis(phosphate)","","- Ca O12 P2 Pb3 S -","","","4","0.0833333","","Durif, A","Etude d'une serie de phosphosulfates isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","245","","1151","1152","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007110","10.315","","10.315","","10.315","","90","","90","","90","","1097.5","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Trilead cadmium sulfate bis(phosphate)","","- Cd O12 P2 Pb3 S -","","","4","0.0833333","","Durif, A","Etude d'une serie de phosphosulfates isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","245","","1151","1152","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007111","10.299","","10.299","","10.299","","90","","90","","90","","1092.4","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Trilead magnesium sulfate bis(phosphate)","","- Mg O12 P2 Pb3 S -","","","4","0.0833333","","Durif, A","Etude d'une serie de phosphosulfates isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","245","","1151","1152","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007112","10.422","","10.422","","10.422","","90","","90","","90","","1132","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Trilead copper sulfate bis(phosphate)","","- Cu O12 P2 Pb3 S -","","","4","0.0833333","","Durif, A","Etude d'une serie de phosphosulfates isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","245","","1151","1152","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007113","10.258","","10.258","","10.258","","90","","90","","90","","1079.4","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Trilead manganese sulfate bis(phosphate)","","- Mn O12 P2 Pb3 S -","","","4","0.0833333","","Durif, A","Etude d'une serie de phosphosulfates isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","245","","1151","1152","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007114","10.449","","10.449","","10.449","","90","","90","","90","","1140.8","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Trilead zinc sulfate bis(phosphate)","","- O12 P2 Pb3 S Zn -","","","4","0.0833333","","Durif, A","Etude d'une serie de phosphosulfates isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","245","","1151","1152","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007115","10.434","","10.434","","10.434","","90","","90","","90","","1135.9","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Trilead nickel sulfate bis(phosphate)","","- Ni O12 P2 Pb3 S -","","","4","0.0833333","","Durif, A","Etude d'une serie de phosphosulfates isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","245","","1151","1152","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007116","10.356","","10.356","","10.356","","90","","90","","90","","1110.6","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Trilead cobalt sulfate bis(phosphate)","","- Co O12 P2 Pb3 S -","","","4","0.0833333","","Durif, A","Etude d'une serie de phosphosulfates isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","245","","1151","1152","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007117","7.2","","7.2","","6.4","","90","","90","","90","","331.8","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Samarium arsenate","","- As O4 Sm -","","","4","0.125","","Durif, A; Forrat, F","Sur quelques arseniates des terres rares a structure zircon.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","245","","1636","1638","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1007118","7.14","","7.14","","6.34","","90","","90","","90","","323.2","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Gadolinium arsenate","","- As Gd O4 -","","","4","0.125","","Durif, A; Forrat, F","Sur quelques arseniates des terres rares a structure zircon.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","245","","1636","1638","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1007119","7.09","","7.09","","6.315","","90","","90","","90","","317.4","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Dysprosium arsenate","","- As Dy O4 -","","","4","0.125","","Durif, A; Forrat, F","Sur quelques arseniates des terres rares a structure zircon.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","245","","1636","1638","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1007120","7.045","","7.045","","6.3","","90","","90","","90","","312.7","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Erbium arsenate","","- As Er O4 -","","","4","0.125","","Durif, A; Forrat, F","Sur quelques arseniates des terres rares a structure zircon.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","245","","1636","1638","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1007121","6.99","","6.99","","6.24","","90","","90","","90","","304.9","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Ytterbium arsenate","","- As O4 Yb -","","","4","0.125","","Durif, A; Forrat, F","Sur quelques arseniates des terres rares a structure zircon.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","245","","1636","1638","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1007122","10.443","","10.443","","10.443","","90","","90","","90","","1138.9","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Tetralead sulfate bis(phosphate)","","- O12 P2 Pb4 S -","","","4","0.0833333","","Durif, A","Sur quelques comooses isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","244","","2815","2817","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007123","10.514","","10.514","","10.514","","90","","90","","90","","1162.3","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Tetralead chromate bis(phosphate)","","- Cr O12 P2 Pb4 -","","","4","0.0833333","","Durif, A","Sur quelques composes isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","244","","2815","2817","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007124","10.364","","10.364","","10.364","","90","","90","","90","","1113.2","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Bismuth trilead phosphate","","- Bi O12 P3 Pb3 -","","","4","0.0833333","","Durif, A","Sur quelques composes isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","244","","2815","2817","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007125","10.733","","10.733","","10.733","","90","","90","","90","","1236.4","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Bismuth trilead vanadate","","- Bi O12 Pb3 V3 -","","","4","0.0833333","","Durif, A","Sur quelques composes isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","244","","2815","2817","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007126","10.668","","10.668","","10.668","","90","","90","","90","","1214.1","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Bismuth trilead arsenate","","- As3 Bi O12 Pb3 -","","","4","0.0833333","","Durif, A","Sur quelques composes isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","244","","2815","2817","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007127","10.479","","10.479","","10.479","","90","","90","","90","","1150.7","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Bismuth trilead vanadate bis(phosphate)","","- Bi O12 P2 Pb3 V -","","","4","0.0833333","","Durif, A","Sur quelques composes isomorohes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","244","","2815","2817","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007128","10.47","","10.47","","10.47","","90","","90","","90","","1147.7","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Bismuth trilead arsenate bis(phosphate)","","- As Bi O12 P2 Pb3 -","","","4","0.0833333","","Durif, A","Sur quelques composes isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","244","","2815","2817","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007129","10.609","","10.609","","10.609","","90","","90","","90","","1194.1","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Bismuth trilead phosphate bis(vanadate)","","- Bi O12 P Pb3 V2 -","","","4","0.0833333","","Durif, A","Sur quelques composes isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","244","","2815","2817","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007130","10.715","","10.715","","10.715","","90","","90","","90","","1230.2","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Bismuth trilead arsenate bis(vanadate)","","- As Bi O12 Pb3 V2 -","","","4","0.0833333","","Durif, A","Sur quelques composes isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","244","","2815","2817","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007131","10.578","","10.578","","10.578","","90","","90","","90","","1183.6","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Bismuth trilead phosphate bis(arsenate)","","- As2 Bi O12 P Pb3 -","","","4","0.0833333","","Durif, A","Sur quelques composes isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","244","","2815","2817","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007132","10.692","","10.692","","10.692","","90","","90","","90","","1222.3","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Bismuth trilead vanadate bis(arsenate)","","- As2 Bi O12 Pb3 V -","","","4","0.0833333","","Durif, A","Sur quelques composes isomorphes de l'Eulytine.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","244","","2815","2817","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1007133","9.227","0.005","8.89","0.005","7.219","0.004","110.12","0.05","102.68","0.05","82.13","0.05","541.2","","","","","","","","","","","","","3","P 1","P 1","1","","Cerium phyllo-14-oxopentaphosphate","","- Ce O14 P5 -","- Ce O14 P5 -","- Ce2 O28 P10 -","2","2","","Rzaigui, M; Kbir Ariguib, N; Averbuch-Pouchot, M T; Durif, A","Crystal Structure of Triclinic Ce P~5~ O~14~: A New Type of Ultraphosphate","Journal of Solid State Chemistry","1984","52","","61","65","10.1016/0022-4596(84)90198-1","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007134","7.897","0.005","8.361","0.005","7.115","0.005","102.55","0.05","97.85","0.05","84","0.05","452.9","","","","","","","","","","","","","5","P -1","-P 1","2","","Copper tetrasodium cyclo-triphosphate tetrahydrate","","- Cu H8 Na4 O22 P6 -","- Cu H8 Na4 O22 P6 -","- Cu H8 Na4 O22 P6 -","1","0.5","","Durif, A; Averbuch-Pouchot, M T","Preparation and Crystal Structure of Copper Tetrasodium Trimetaphosphate Tetrahydrate: Cu Na~4~ (P~3~ O~9~)~2~ (H~2~ O)~4~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1984","514","","85","91","10.1002/zaac.19845140711","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007135","15.052","0.008","9.234","0.003","14.767","0.008","90","","90.03","0.05","90","","2052.5","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Copper trisodium triphosphate dodecahydrate","","- Cu H24 Na3 O22 P3 -","- Cu H24 Na3 O22 P3 -","- Cu4 H96 Na12 O88 P12 -","4","1","","Jouini, O; Dabbabi, M; Averbuch-Pouchot, MT; Guitel, J C; Durif, A","Structure du Phosphate de Cuivre(II) et de Trisodium Dodecahydrate, Cu Na~3~ P~3~ O~10~ (H~2~ O)~12~","Acta Crystallographica C (39,1983-)","1984","40","","728","730","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007136","6.285","0.005","14.74","0.01","7.844","0.005","90","","113.38","0.01","90","","667","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","TELLURIUM(VI) HYDROXIDE BIS(THALLIUM DIHYDROGENPHOSPHATE)","","- H10 O14 P2 Te Tl2 -","- H11 O14 P2 Te Tl2 -","- H22 O28 P4 Te2 Tl4 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal data for two new phosphate-tellurates: Te (O H)~6~ (Tl (H~2~ P O~4~))~2~ (Tl~2~ (H P O~4~)) and Te (O H)~6~ (Tl (H~2~ P O~4~))~2~. Crystal structure of Te (O H)~6~ (Tl (H~2~ P O~4~))~2~.","Materials Research Bulletin","1981","16","","71","76","10.1016/0025-5408(81)90180-X","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007137","9.516","0.002","5.547","0.001","6.572","0.002","102.33","0.17","106.27","0.17","80.13","0.17","323","","","","","","","","","","","","","4","P -1","-P 1","2","","SILVER COBALT PHOSPHATE","","- Ag Co O4 P -","- Ag Co O4 P -","- Ag4 Co4 O16 P4 -","4","2","","Tordjman, I; Guitel, J C; Durif, A; Averbuch, M T; Masse, R","Structure cristalline du monophosphate Ag Co P O~4~100521-Syntheses of Hollandite type Rb~2~ Cr~8~ O~16~, K~2~ Cr~2~ V~6~ O~16~ and K~2~ V~8~ O~16~","Materials Research Bulletin","1978","13","","983","988","10.1016/0025-5408(78)90111-3","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007138","12.26","0.01","7.059","0.003","8.225","0.003","90","","90.32","0.05","90","","711.8","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Telluric acid rubidium hydrogenphosphate dihydrogenphosphate","","- H9 O14 P2 Rb3 Te -","- H10.5 O14 P2 Rb3 Te -","- H21 O28 P4 Rb6 Te2 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Structure cristalline d'un phospho-tellurate de rubidium: Te (O H)~6~ Rb~2~ (H P O~4~) Rb (H~2~ P O~4~)","Materials Research Bulletin","1979","14","","1219","1223","10.1016/0025-5408(79)90217-4","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007139","8.204","0.005","18.416","0.009","6.995","0.005","90","","89.89","0.05","90","","1056.8","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","TELLURIUM(VI) HYDROXIDE DICAESIUM HYDROGENPHOSPHATE","","- Cs2 H7 O10 P Te -","- Cs2 H9.5 O10 P Te -","- Cs8 H38 O40 P4 Te4 -","4","1","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Crystal structures of two cesium phosphate-tellurates: (Te(O H)~6~) (Cs~2~ H P O~4~) and (Te(O H)~6~) (Cs~2~ H P O~4~) (Cs H~2~ P O~4~)~2~","Materials Research Bulletin","1980","15","","387","395","10.1016/0025-5408(80)90183-X","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007140","9.591","0.006","13.163","0.009","8.367","0.005","90","","106.27","0.05","90","","1014","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","TELLURIUM(VI) HYDROXIDE TETRACAESIUM HYDROGENPHOSPHATE BIS(DIHYDROGENPHOSPHATE)","","- Cs4 H11 O18 P3 Te -","- Cs4 H17 O18 P3 Te -","- Cs8 H34 O36 P6 Te2 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Crystal structures of two cesium phosphate-tellurates: (Te(O H)~6~) (Cs~2~ H P O~4~) and (Te(O H)~6~) (Cs~2~ H P O~4~) (Cs H~2~ P O~4~)~2~","Materials Research Bulletin","1980","15","","387","395","10.1016/0025-5408(80)90183-X","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007141","7.434","0.003","7.341","0.003","7.148","0.003","90","","99.56","0.05","90","","384.7","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DIPOTASSIUM HYDROGENSULFATE DIHYDROGENPHOSPHATE","","- H3 K2 O8 P S -","- H1.5 K2 O8 P S -","- H3 K4 O16 P2 S2 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal structure of (K H SO~4~)(K H~2~ P O~4~)","Materials Research Bulletin","1980","15","","427","430","10.1016/0025-5408(80)90047-1","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007142","10.497","0.008","10.497","0.008","10.497","0.008","90","","90","","90","","1156.6","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","Bismuth germanate","","- Bi4 Ge3 O12 -","- Bi4 Ge3 O12 -","- Bi16 Ge12 O48 -","4","0.0833333","","Durif, A; Averbuch-Pouchot, M T","Affinement de la structure cristalline du germanate de bismuth Bi~4~ (Ge O~4~)~3~.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1982","295","","555","556","","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007143","7.907","0.005","8.364","0.005","7.122","0.005","102.46","0.05","97.89","0.05","84.04","0.05","454.2","","","","","","","","","","","","","5","P -1","-P 1","2","","Copper tetrasodium cyclo-triphosphate tetrahydrate","","- Cu H8 Na4 O22 P6 -","- Cu H8 Na4 O22 P6 -","- Cu H8 Na4 O22 P6 -","1","0.5","","Durif, A; Averbuch-Pouchot, M T","Preparation and crystal structure of Copper tetrasodium trimetaphosphate tetrahydrate: Cu Na~4~ (P~3~ O~9~)~2~ (H~2~ O)~4~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1984","514","","85","91","10.1002/zaac.19845140711","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007144","9.606","0.005","6.236","0.005","7.738","0.005","90","","109.07","0.05","90","","438.1","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Rubidium dihydrogenphosphate","","- H2 O4 P Rb -","- H2 O4 P Rb -","- H8 O16 P4 Rb4 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Structure of a New Form of Rubidium Dihydrogenphosphate, Rb H~2~ P O~4~","Acta Crystallographica C (39,1983-)","1985","41","","665","667","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007145","28.57","0.06","10.277","0.005","6.09","0.003","90","","90","","90","","1788.1","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Pentarubidium heptahydrogentetrakis(phosphate)","","- H7 O16 P4 Rb5 -","- H7 O16 P4 Rb5 -","- H28 O64 P16 Rb20 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Structure of pentarubidium heptahydrogentetrakis(phosphate)","Acta Crystallographica C (39,1983-)","1985","41","","1555","1556","","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007146","15.455","0.005","15.455","0.005","15.455","0.005","90","","90","","90","","3691.5","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Tetracaesium tristrontium dihydrogentris(tetrametaphosphate)","","- Cs4 H2 O36 P12 Sr3 -","- Cs4 H4 O36 P12 Sr3 -","- Cs16 H16 O144 P48 Sr12 -","4","0.0833333","","Averbuch-Pouchot, M T; Durif, A","Cs~4~ Sr~3~ H~2~ (P~4~ O~12~)~3~, a new derivative of Al~4~ (P~4~ O~12~)~3~","Acta Crystallographica C (39,1983-)","1985","41","","1557","1558","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007147","11.95","0.01","7.66","0.005","9.658","0.006","90","","92.4","0.01","90","","883.3","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diammonium trihydrogenarsenate sulfate","","- As H11 N2 O8 S -","- As H5.5 N2 O8 S -","- As4 H22 N8 O32 S4 -","4","1","","Boubia, M; Averbuch-Pouchot, M T; Durif, A","Ordered As O~4~ and S O~4~ tetrahedra in diammonium trihydrogenarsenate sulfate","Acta Crystallographica C (39,1983-)","1985","41","","1562","1564","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007148","9.061","0.003","9.061","0.003","10.284","0.005","90","","90","","90","","844.3","","","","","","","","","","","","","4","I -4","I -4","82","","Tetrapotassium tetrametaphosphate tetrahydrate","","- H8 K4 O16 P4 -","- H8 K4 O16 P4 -","- H16 K8 O32 P8 -","2","0.25","","Averbuch-Pouchot, M T; Durif, A","Structure of tetrapotassium tetrametaphosphate tetrahydrate","Acta Crystallographica C (39,1983-)","1985","41","","1564","1566","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007149","4.871","0.003","7.073","0.003","4.709","0.003","90","","96.24","0.08","90","","161.3","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Bismut phosphate - high-temperature phase","","- Bi O4 P -","- Bi O4 P -","- Bi2 O8 P2 -","2","0.5","","Masse, R; Durif, A","Etude structurale de la forme haute temperature du monophosphate de bismuth Bi P O~4~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993)","1985","300","","849","851","","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007150","6.644","0.003","7.365","0.004","8.618","0.004","101.62","0.05","109.98","0.05","95.65","0.05","381.7","","","","","","","","","","","","","4","P -1","-P 1","2","","Distrontium tetrametaphosphate hexahydrate","","- H12 O18 P4 Sr2 -","- H12 O18 P4 Sr2 -","- H12 O18 P4 Sr2 -","1","0.5","","Durif, A; Averbuch-Pouchot, M T","Structure of strontium tetrametaphosphate hexahydrate","Acta Crystallographica C (39,1983-)","1986","42","","927","928","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007151","11.164","0.006","12.46","0.01","5.622","0.002","90","","90","","90","","782","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Mercury potassium trimetaphosphate","","- Hg K O9 P3 -","- Hg K O9 P3 -","- Hg4 K4 O36 P12 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Structure of mercury potassium trimetaphosphate","Acta Crystallographica C (39,1983-)","1986","42","","930","931","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007152","17.073","0.008","17.029","0.008","13.554","0.006","90","","127.32","0.01","90","","3133.8","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetralithium cyclo-tetraphosphate pentahydrate","","- H10 Li4 O17 P4 -","- H10 Li4 O17 P4 -","- H80 Li32 O136 P32 -","8","1","","Averbuch-Pouchot, M T; Durif, A","Structure of Tetralithium Tetrametaphosphate Pentahydrate","Acta Crystallographica C (39,1983-)","1986","42","","129","131","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1007153","7.067","0.003","9.071","0.003","9.906","0.004","116.46","0.05","95.97","0.05","74.03","0.05","546.4","","","","","","","","","","","","","5","P -1","-P 1","2","","Barium sodium trimetaphosphate trihydrate","","- Ba H6 Na O12 P3 -","- Ba H6 Na O12 P3 -","- Ba2 H12 Na2 O24 P6 -","2","1","","Averbuch-Pouchot, M T; Durif, A","Structure du trimataphosphate de barium - sodium trihydrate","Acta Crystallographica C (39,1983-)","1987","43","","390","392","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007154","13.841","0.003","9.621","0.005","7.482","0.002","98.05","0.04","97.25","0.04","103.01","0.04","948.3","","","","","","","","","","","","","5","P -1","-P 1","2","","Nickel bis(ammonium) tetraphosphate heptahydrate","","- H22 N2 Ni O19 P4 -","- H22 N2 Ni O19 P4 -","- H44 N4 Ni2 O38 P8 -","2","1","","Jouini, A; Dabbabi, M; Durif, A","Structure cristalline du tetrametaphosphate de nickelammonium heptahydrate: Ni (N H~4~)~2~ P~4~ O~12~ (H~2~ O)~7~","Journal of Solid State Chemistry","1985","60","","6","12","10.1016/0022-4596(85)90157-4","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007155","14.5","0.02","7.804","0.003","7.006","0.003","90","","90","","90","","792.8","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","Caesium trisodium tetrametaphosphate tetrahydrate","","- Cs H8 Na3 O16 P4 -","- Cs H8 Na3 O16 P4 -","- Cs2 H16 Na6 O32 P8 -","2","0.25","","Averbuch-Pouchot, M T; Durif, A","Contribution to the crystal chemistry of tetrametaphosphate","Journal of Solid State Chemistry","1985","60","","13","19","10.1016/0022-4596(85)90158-6","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007156","11.39","0.01","10.92","0.01","11.81","0.01","90","","95.24","0.05","90","","1462.8","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Caesium trisodium tetrametaphosphate trihydrate","","- Cs H6 Na3 O15 P4 -","- Cs H6 Na3 O15 P4 -","- Cs4 H24 Na12 O60 P16 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Contribution to the crystal chemistry of tetrametaphosphate","Journal of Solid State Chemistry","1985","60","","13","19","10.1016/0022-4596(85)90158-6","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007157","14.5","0.02","7.804","0.003","7.006","0.003","90","","90","","90","","792.8","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","Caesium trisodium tetrametaphosphate tetrahydrate","","- Cs H8 Na3 O16 P4 -","- Cs H8 Na3 O16 P4 -","- Cs2 H16 Na6 O32 P8 -","2","0.25","","Averbuch-Pouchot, M T; Durif, A","Contribution to the Crystal Chemistry of Tetrametaphosphates(II)","Journal of Solid State Chemistry","1985","60","","13","19","10.1016/0022-4596(85)90158-6","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","186636","2020-10-21","18:00:00",""
"1007159","17.073","0.008","17.029","0.008","13.554","0.006","90","","127.32","0.01","90","","3133.8","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetralithium cyclo-tetraphosphate pentahydrate","","- H10 Li4 O17 P4 -","- H10 Li4 O17 P4 -","- H80 Li32 O136 P32 -","8","1","","Averbuch-Pouchot, M T; Durif, A","Structure of tetralithium tetrametaphosphate pentahydrate.","Acta Crystallographica C (39,1983-)","1986","42","","129","131","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007160","7.83","0.005","7.347","0.005","10.215","0.008","104.35","0.01","101.81","0.01","94.27","0.01","552.4","","","","","","","","","","","","","3","P -1","-P 1","2","","Trilead tetraphosphate","","- O13 P4 Pb3 -","- O13 P4 Pb3 -","- O26 P8 Pb6 -","2","1","","Averbuch-Pouchot, M T; Durif, A","Structure of lead tetrapolyphosphate.","Acta Crystallographica C (39,1983-)","1987","43","","631","632","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007161","7.709","0.004","5.663","0.004","9.972","0.005","90","","90","","90","","435.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium barium phosphate","","- Ba K O4 P -","- Ba K O4 P -","- Ba4 K4 O16 P4 -","4","0.5","","Masse, R; Durif, A","Chemical preparation and crystal structure refinement of K Ba P O~4~ monophosphate","Journal of Solid State Chemistry","1987","71","","574","576","10.1016/0022-4596(87)90270-2","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007162","16.09","0.01","8.368","0.005","7.717","0.003","90","","95.38","0.05","90","","1034.4","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Barium cyclo-triphosphate tetrahydrate","","- Ba3 H8 O22 P6 -","- Ba3 H8 O22 P6 -","- Ba6 H16 O44 P12 -","2","0.25","","Averbuch-Pouchot, M T; Durif, A","Crystal structure of barium cyclotriphosphate tetrahydrate, Ba~3~ (P O~9~)~3~ (H~2~ O)~4~","Zeitschrift fuer Kristallographie (149,1979-)","1986","174","","219","224","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007163","13.094","0.01","8.365","0.008","15.796","0.012","90","","90","","90","","1730.2","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Cadmium ditantalum tris(diphosphate)","","- Cd O21 P6 Ta2 -","- Cd O21 P6 Ta2 -","- Cd4 O84 P24 Ta8 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Structure of tantalum cadmium diphosphate, Ta~2~ Cd (P~2~ O~7~)~3~","Acta Crystallographica C (39,1983-)","1987","43","","1861","1863","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007164","8.51","0.005","14.303","0.008","8.487","0.005","90","","96.51","0.02","90","","1026.4","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetrapotassium copper bis(cyclo-triphosphate) tetrahydrate","","- Cu H8 K4 O22 P6 -","- Cu H8 K4 O22 P6 -","- Cu2 H16 K8 O44 P12 -","2","0.5","","Durif, A; Averbuch-Pouchot, M T","Structure of tetrapotassium copper cyclo-triphosphate tetrahydrate.","Acta Crystallographica C (39,1983-)","1987","43","","819","821","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007165","10.63","0.004","14.229","0.005","23.91","0.03","90","","90","","90","","3616.5","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Bismuth silver oxide (4/18/12)","","- Ag18 Bi4 O12 -","- Ag18 Bi4 O12 -","- Ag72 Bi16 O48 -","4","0.25","","Masse, R.; Tordjman, I.; Durif, A.","Etude structurale d'un sous-oxyde d'argent bismuth Bi~4~Ag~18~O~12~","Comptes Rendus des Seances de l'Academie des Sciences, Serie 2: Mecanique-Physique, Chimie, Sciences de l'Univers, Sciences de la Terre","1986","302","9","631","633","","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","199774","2020-10-21","18:00:00",""
"1007166","9.466","0.005","9.466","0.005","21.933","0.003","90","","90","","90","","1965.3","","","","","","","","","","","","","4","P 41","P 4w","76","","Tetracaesium cyclo-tetraphosphate tetrahydrate","","- Cs4 H8 O16 P4 -","- Cs4 H8 O16 P4 -","- Cs16 H32 O64 P16 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Structure of tetracaesium tetrametaphosphate tetrahydrate.","Acta Crystallographica C (39,1983-)","1986","42","","131","133","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007167","9.731","0.005","11.43","0.01","17.16","0.01","90","","99.45","0.05","90","","1882.7","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrapotassium cyclo-tetraphosphate telluric acid dihydrate","","- H10 K4 O20 P4 Te -","- H10 K4 O20 P4 Te -","- H40 K16 O80 P16 Te4 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Structure of a new adduct between telluric acid and a condensed phosphate: K~4~ P~4~ O~12~ * Te (O H)~6~ * ~2~ H~2~ O.","Acta Crystallographica C (39,1983-)","1987","43","","1245","1247","","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007168","18.42","0.01","10.644","0.005","12.348","0.008","90","","119.76","0.05","90","","2101.7","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Trisodium tripotassium cyclo-triphosphate telluric acid","","- H6 K3 Na3 O24 P6 Te -","- H6 K3 Na3 O24 P6 Te -","- H24 K12 Na12 O96 P24 Te4 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal structure of a new adduct between telluric acid and alkali cyclo-triphosphates: Te (O H)~6~ * Na~3~ P~3~ O~9~ * K~3~ P~3~ O~9~.","Acta Crystallographica C (39,1983-)","1987","43","","1653","1655","","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007170","6.353","0.007","12.289","0.004","11.8","","90","","92.56","0.06","90","","920.3","","","","","","","","","","prepared at T = 650 C","","","4","P 1 21/c 1","-P 2ybc","14","","Lead bis(dioxomolybdenum) phosphate - prepared at T = 650 C","","- Mo2 O12 P2 Pb -","- Mo2 O12 P2 Pb -","- Mo8 O48 P8 Pb4 -","4","1","","Masse, R; Averbuch-Pouchot, M T; Durif, A","Crystal structures of phosphomolybdyl salts: Pb (Mo O~2~)~2~ (P O~4~)~2~ and Ba (Mo O~2~)~2~ (P O~4~)~2~.","Journal of Solid State Chemistry","1985","58","","157","163","10.1016/0022-4596(85)90229-4","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007171","6.383","0.008","7.142","0.007","9.953","0.008","90","","95.46","0.08","90","","451.7","","","","","","","","","","prepared at T = 650 C","","","4","P 1 21/c 1","-P 2ybc","14","","Barium bis(dioxomolybdenum) phosphate - prepared at T = 650 C","","- Ba Mo2 O12 P2 -","- Ba Mo2 O12 P2 -","- Ba2 Mo4 O24 P4 -","2","0.5","","Masse, R; Averbuch-Pouchot, M T; Durif, A","Crystal structures of phosphomolybdyl salts: Pb (Mo O~2~)~2~ (P O~4~)~2~ and Ba (Mo O~2~)~2~ (P O~4~)~2~.","Journal of Solid State Chemistry","1985","58","","157","163","10.1016/0022-4596(85)90229-4","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007172","8.165","0.004","8.228","0.004","11.154","0.006","97.37","0.03","95.43","0.03","88.84","0.04","739.8","","","","","","","","","","","","","4","P -1","-P 1","2","","Tetrapotassium cyclo-tetraphosphate dihydrate","","- H4 K4 O14 P4 -","- H4 K4 O14 P4 -","- H8 K8 O28 P8 -","2","1","","Averbuch-Pouchot, M T; Durif, A","Contribution to the crystal chemistry of tetrametaphosphates (I).","Journal of Solid State Chemistry","1985","58","","119","132","10.1016/0022-4596(85)90275-0","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007173","11.341","0.017","7.907","0.012","7.918","0.014","89.94","0.09","106.95","0.08","95.61","0.07","675.7","","","","","","","","","","","","","5","P -1","-P 1","2","","Disodium dipotassium cyclo-tetraphosphate dihydrate","","- H4 K2 Na2 O14 P4 -","- H4 K2 Na2 O14 P4 -","- H8 K4 Na4 O28 P8 -","2","1","","Averbuch-Pouchot, M T; Durif, A","Contribution to the crystal chemistry of tetrametaphosphates (I).","Journal of Solid State Chemistry","1985","58","","119","132","10.1016/0022-4596(85)90275-0","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007174","7.928","0.005","7.928","0.005","21.66","0.02","90","","90","","90","","1361.4","","","","","","","","","","","","","5","P 41","P 4w","76","","Disodium dipotassium cyclo-tetraphosphate dihydrate","","- H4 K2 Na2 O14 P4 -","- H4 K2 Na2 O14 P4 -","- H16 K8 Na8 O56 P16 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Contribution to the crystal chemistry of tetrametaphosphates (I).","Journal of Solid State Chemistry","1985","58","","119","132","10.1016/0022-4596(85)90275-0","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007175","6.652","","9.579","","6.32","","103.4","","106.98","","93.28","","371.3","","","","","","","","","","","","","4","P -1","-P 1","2","","Tetrasodium cyclo-tetraphosphate tetrahydrate - triclinic","","- H8 Na4 O16 P4 -","- H8 Na4 O16 P4 -","- H8 Na4 O16 P4 -","1","0.5","","Averbuch-Pouchot, M T; Durif, A","Contribution to the crystal chemistry of tetrametaphosphates (I).","Journal of Solid State Chemistry","1985","58","","119","132","10.1016/0022-4596(85)90275-0","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007176","9.667","","12.358","","6.17","","90","","92.27","0.17","90","","736.5","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Tetrasodium cyclo-tetraphosphate tetrahydrate - monoclinic","","- H8 Na4 O16 P4 -","- H8 Na4 O16 P4 -","- H16 Na8 O32 P8 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Contribution to the crystal chemistry of tetrametaphosphates (I).","Journal of Solid State Chemistry","1985","58","","119","132","10.1016/0022-4596(85)90275-0","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007177","12.65","0.002","9.78","0.002","7.71","0.002","90","","95.2","0.1","90","","949.9","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrapotassium tetrahydro copper(III) bis(periodate) peroxo hexawater","","- Cu H16 I2 K4 O20 -","- Cu H20 I2 K4 O20 -","- Cu2 H40 I4 K8 O40 -","2","0.5","","Masse, R; Durif, A","A Copper(III) Periodate Peroxo Complex K~4~H~4~Cu(IO~6~)~2~O~2~ 6H~2~O","Journal of Solid State Chemistry","1988","73","","206","210","10.1016/0022-4596(88)90070-9","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007178","20.38","0.01","12.683","0.005","7.83","0.002","90","","89.31","0.05","90","","2023.7","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate","","- Ca4 H16 K4 O44 P12 -","- Ca4 H16 K4 O44 P12 -","- Ca8 H32 K8 O88 P24 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal structures of two new types of cyclo-tetraphosphates: tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and calcium disodium cyclo-tetraphosphate 5.5-hydrate","Acta Crystallographica C (39,1983-)","1988","44","","212","216","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007179","27.88","0.1","7.536","0.005","7.378","0.005","90","","90","","90","","1550.1","","","","","","","","","","","","","5","P m a 2","P 2 -2a","28","","Calcium disodium cyclo-tetraphosphate 5.5-hydrate","","- Ca H11 Na2 O17.5 P4 -","- Ca H11 Na2 O17.5 P4 -","- Ca4 H44 Na8 O70 P16 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Crystal structures of two new types of cyclo-tetraphosphates: tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and calcium disodium cyclo-tetraphosphate 5.5-hydrate","Acta Crystallographica C (39,1983-)","1988","44","","212","216","","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007181","15.32","0.01","7.89","0.005","6.49","0.005","90","","90.76","0.01","90","","784.4","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diniobium cobalt tris(diphosphate)","","- Co Nb2 O21 P6 -","- Co Nb2 O21 P6 -","- Co2 Nb4 O42 P12 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal data and structure of Nb~2~Co(P~2~O~7~)~3~ and Nb~2~Mg(P~2~O~7~)~3~","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","195","202","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007182","8.506","0.004","4.937","0.004","8.344","0.005","90","","90","","90","","350.4","","","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","Potassium beryllium phosphate","","- Be K O4 P -","- Be K O4 P -","- Be4 K4 O16 P4 -","4","1","","Masse, R; Durif, A","Contribution to the Crystal Chemistry of M(I) M(II) P O~4~ Monophosphates (M(I) = K, Rb, Cs; M(II) = Be)","Journal of Solid State Chemistry","1988","73","","468","472","10.1016/0022-4596(88)90132-6","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007183","8.713","0.004","8.836","0.005","5.147","0.004","90","","90","","90","","396.3","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Caesium beryllium phosphate","","- Be Cs O4 P -","- Be Cs O4 P -","- Be4 Cs4 O16 P4 -","4","0.5","","Masse, R; Durif, A","Contribution to the Crystal Chemistry of M(I) M(II) P O~4~ Monophosphates (M(I) = K, Rb, Cs; M(II) = Be)","Journal of Solid State Chemistry","1988","73","","468","472","10.1016/0022-4596(88)90132-6","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007184","12.65","0.002","9.78","0.002","7.71","0.002","90","","95.2","0.1","90","","949.9","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrapotassium bis(dihydrogeniodato(VII))cuprate(III) superoxide hexahydrate","","- Cu H16 I2 K4 O20 -","- Cu H16 I2 K4 O20 -","- Cu2 H32 I4 K8 O40 -","2","0.5","","Masse, R; Durif, A","A Copper(III) Periodate Peroxo Complex: K~4~ H~4~ Cu (I O~6~)~2~ O~2~ 6(H~2~ O)","Journal of Solid State Chemistry","1988","73","","206","210","10.1016/0022-4596(88)90070-9","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007185","8.203","","8.203","","8.203","","90","","90","","90","","552","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","Lithium pentagallium oxide","","- Ga5 Li O8 -","- Ga5 Li O8 -","- Ga20 Li4 O32 -","4","0.166667","","Joubert, J; Brunel, M; Waintal, A; Durif, A","Etude cristallographique du gallate de lithium et de sa solution solide avec l`aluminate","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1963","256","","5324","5326","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007186","9.904","0.005","9.898","0.005","9.013","0.005","111.53","0.05","106.53","0.05","60.08","0.05","706.7","","","","","","","","","","","","","4","P -1","-P 1","2","","Caesium cyclo-hexaphosphate hexahydrate","","- Cs6 H12 O24 P6 -","- Cs6 H12 O24 P6 -","- Cs6 H12 O24 P6 -","1","0.5","","Averbuch-Pouchot, M T; Durif, A","Structure cristalline du cyclohexaphosphate de cesium hexahydrate: Cs~6~ P~6~ O~18~ (H~2~ O)~6~ et donnees cristallographiques sur Rb~6~ P~6~ O~18~ (H~2~ O)~6~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1989","308","","1699","1702","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007187","9.899","0.004","11.042","0.007","7.632","0.009","109.53","0.06","106.74","0.06","100.91","0.04","714.2","","","","","","","","","","","","","5","P -1","-P 1","2","","Ammonium cyclo-hexaphosphate telluric acid dihydrate","","- H34 N6 O26 P6 Te -","- H34.076 N6 O26.038 P6 Te -","- H34.076 N6 O26.038 P6 Te -","1","0.5","","Averbuch-Pouchot, M. T.; Durif, A.","Crystal chemistry of cyclo-hexaphosphates. VI. Structure of ammonium cyclo-hexaphosphate tellurate dihydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1990","46","2","179","181","10.1107/s0108270189006190","","","","","","0.018","","","","","","","","","","","","","","","has coordinates,has disorder","199680","2020-10-21","18:00:00",""
"1007188","14.815","0.008","8.882","0.005","10.02","0.005","90","","129.15","0.05","90","","1022.5","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Telluric acid urea (1/2)","","- C2 H14 N4 O8 Te -","- C2 H14 N4 O8 Te -","- C8 H56 N16 O32 Te4 -","4","0.5","","Averbuch-Pouchot, M.-T.; Durif, A.","Determination des liaisons hydrogene dans le compose d'addition uree- acide tellurique: Te(OH)~6~(CO(NH~2~)~2~)~2~","Comptes Rendus des Seances de l'Academie des Sciences, Serie 2: Mecanique-Physique, Chimie, Sciences de l'Univers, Sciences de la Terre","1989","309","","25","28","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007190","10.365","0.005","9.278","0.004","7.28","0.003","108.39","0.05","100.3","0.05","96.02","0.05","643.8","","","","","","","","","","","","","4","P -1","-P 1","2","","Hydroxylammonium cyclo-hexaphosphate tetrahydrate","","- H32 N6 O28 P6 -","- H32 N6 O28 P6 -","- H32 N6 O28 P6 -","1","0.5","","Durif, A; Averbuch-Pouchot, M T","Crystal chemistry of cyclo-Hexaphosphates. VIII. Structure of Hydroxylammonium cyclo-Hexaphosphate Tetrahydrate","Acta Crystallographica C (39,1983-)","1990","46","","2026","2028","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007192","7.767","0.002","10.144","0.003","7.225","0.002","105.17","0.04","102.76","0.04","84.95","0.04","535.6","","","","","","","","","","","","","5","P -1","-P 1","2","","Dicalcium dilithium cyclo-hexaphosphate octahydrate","","- Ca2 H16 Li2 O26 P6 -","- Ca2 H16 Li2 O26 P6 -","- Ca2 H16 Li2 O26 P6 -","1","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal chemistry of cyclo-hexaphosphates. X.Structure of dicalcium dilithium cyclo-hexaphosphate octahydrate","Acta Crystallographica C (39,1983-)","1990","46","","968","970","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007193","13.363","0.007","11.58","0.012","6.809","0.005","90","","101.87","0.05","90","","1031.1","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Disodium tetraammonium cyclo-hexaphosphate dihydrate","","- H20 N4 Na2 O20 P6 -","- H20 N4 Na2 O20 P6 -","- H40 N8 Na4 O40 P12 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal chemistry of cyclo-hexaphosphates. XV.Structures of sodium ammonium cyclo-hexaphosphate dihydrate and sodium rubidium cyclo- hexaphosphate hexahydrate","Acta Crystallographica C (39,1983-)","1991","47","","932","936","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","186518","2020-10-21","18:00:00",""
"1007194","7.532","0.003","9.752","0.003","8.73","0.003","113.92","0.04","102.29","0.04","85","0.04","572.7","","","","","","","","","","","","","5","P -1","-P 1","2","","Tetrasodium dirubidium cyclo-hexaphosphate hexahydrate","","- H12 Na4 O24 P6 Rb2 -","- H12 Na4 O24 P6 Rb2 -","- H12 Na4 O24 P6 Rb2 -","1","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal chemistry of cyclo-hexaphosphates. XV.Structures of sodium ammonium cyclo-hexaphosphate dihydrate and sodium rubidium cyclo- hexaphosphate hexahydrate","Acta Crystallographica C (39,1983-)","1991","47","","932","936","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007195","7.413","0.003","9.334","0.004","9.634","0.004","116.23","0.05","107.98","0.05","83.1","","568.7","","","","","","","","","","","","","5","P -1","-P 1","2","","Dicopper diammonium cyclo-hexaphosphate octahydrate","","- Cu2 H24 N2 O26 P6 -","- Cu2 H48 N2 O26 P6 -","- Cu2 H48 N2 O26 P6 -","1","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal chemistry of cyclo-hexaphosphates. XI.Structure of ammoniumcopper cyclo-hexaphosphate octahydrate","Acta Crystallographica C (39,1983-)","1991","47","","1148","1150","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007196","8.408","0.002","7.602","0.002","7.566","0.002","107.47","0.03","106.09","0.03","72.64","0.03","430.8","","","","","","","","","","","","","5","P -1","-P 1","2","","Tetrasilver dilithium cyclo-hexaphosphate dihydrate","","- Ag4 H4 Li2 O20 P6 -","- Ag4 H8 Li2 O20 P6 -","- Ag4 H8 Li2 O20 P6 -","1","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal chemistry of cyclo-hexaphosphates. XIII.Structure of silver lithium cyclo-hexaphosphate dihydrate","Acta Crystallographica C (39,1983-)","1991","47","","1150","1152","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007197","11.222","0.008","8.077","0.006","11.731","0.009","111.11","0.02","104.66","0.02","83.25","0.02","959.2","","","","","","","","","","","","","5","P -1","-P 1","2","","Rubidium cyclo-hexaphosphate tris(hexahydrogentellurate) trihydrate","","- H26 O40 P6 Rb6 Te3 -","- H26 O40 P6 Rb6 Te3 -","- H26 O40 P6 Rb6 Te3 -","1","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal chemistry of cyclo-hexaphosphates. XVI.Structures of potassium cyclo-hexaphosphate ditellurate trihydrate and rubidium cyclo- hexaphosphate tritellurate tetrahydrate","Acta Crystallographica C (39,1983-)","1991","47","","1576","1579","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007198","8.175","0.008","7.926","0.008","8.457","0.007","105.05","0.02","102.08","0.02","86.42","0.02","517.4","","","","","","","","","","","","","4","P -1","-P 1","2","","Dihydrazinium dihydrazinedium cyclo-hexaphosphate","","- H22 N8 O18 P6 -","- H22 N8 O18 P6 -","- H22 N8 O18 P6 -","1","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal chemistry of cyclo-hexaphosphates.XVIII.Structures of ethylammonium cyclo-hexaphosphate tetrahydrate and hydrazinium(1+) hydrazinium(2+) cyclo-hexaphosphate","Acta Crystallographica C (39,1983-)","1991","47","","1579","1583","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","186520","2020-10-21","18:00:00",""
"1007199","20.98","0.02","7.227","0.003","17.44","0.01","90","","119.56","0.03","90","","2300.1","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Barium cyclo-hexaphosphate octahydrate","","- Ba3 H16 O26 P6 -","- Ba3 H16 O26 P6 -","- Ba12 H64 O104 P24 -","4","0.5","","Rzaigui, M; Averbuch-Pouchot, M; Durif, A","Crystal chemistry of cyclo-hexaphosphates. XIX. Structure of barium cyclo-hexaphosphate octahydrate","Acta Crystallographica C (39,1983-)","1992","48","","241","243","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007200","17.254","0.005","7.543","0.001","23.465","0.005","90","","90","","90","","3053.9","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","Nonasilver sodium cyclo-octaphosphate bis(nitrate) tetrahydrate","","- Ag9 H8 N2 Na O34 P8 -","- Ag9 H8 N2 Na O34 P8 -","- Ag36 H32 N8 Na4 O136 P32 -","4","0.25","","Averbuch-Pouchot, M T; Durif, A","Structure of nonasilver sodium cyclooctaphosphate dinitrate tetrahydrate: Ag~9~NaP~8~O~24~(NO~3~)~2~ . 4H~2~O","Acta Crystallographica C (39,1983-)","1992","48","","1173","1176","","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007201","6.738","0.003","10.101","0.008","19.33","0.01","101.48","0.02","90.84","0.03","107.31","0.02","1227.1","","","","","","","","","","","","","5","P -1","-P 1","2","","Ammonium cyclo-hexaphosphate - ammonium chloride - water (1/1/1)","","- Cl H30 N7 O19 P6 -","- Cl H30 N7 O19 P6 -","- Cl2 H60 N14 O38 P12 -","2","1","","Averbuch-Pouchot, M T; Durif, A","(NH~4~)~6~P~6~O~18~.NH~4~X.H~2~O (X=Cl,Br,I). The first examples of cyclohexaphosphate-halides","European Journal of Solid State Inorganic Chemistry","1993","30","","447","459","","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007202","14.96","0.01","24.819","0.009","6.71","0.006","90","","91.86","0.05","90","","2490.1","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ammonium cyclo-hexaphosphate - ammonium iodide - water (1/1/1)","","- H30 I N7 O19 P6 -","- H30 I N7 O19 P6 -","- H120 I4 N28 O76 P24 -","4","1","","Averbuch-Pouchot, M T; Durif, A","(NH~4~)~6~P~6~O~18~.NH~4~X.H~2~O (X=Cl,Br,I). The first examples of cyclohexaphosphate-halides","European Journal of Solid State Inorganic Chemistry","1993","30","","447","459","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007203","12.14","0.008","15.183","0.008","10.706","0.005","90","","97.49","0.05","90","","1956.5","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(guanidinium) cyclo-triphosphate dihydrate","","- C3 H22 N9 O11 P3 -","- C3 H22 N9 O11 P3 -","- C12 H88 N36 O44 P12 -","4","1","","Averbuch-Pouchot, M T; Durif, A","(Tris)guanidinium cyclotriphosphate and (tetra)guanidinium cyclotetraphosphate: two new examples of organic-cation cyclophosphates","European Journal of Solid State Inorganic Chemistry","1993","30","","471","482","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007204","9.634","0.001","18.112","0.008","7.292","0.003","90","","103.86","0.05","90","","1235.3","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetrakis(guanidinium) cyclo-tetraphosphate tetrahydrate","","- C4 H32 N12 O16 P4 -","- C4 H32 N12 O16 P4 -","- C8 H64 N24 O32 P8 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","(Tris)guanidinium cyclotriphosphate and (tetra)guanidinium cyclotetraphosphate: two new examples of organic-cation cyclophosphates","European Journal of Solid State Inorganic Chemistry","1993","30","","471","482","","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007205","9.058","0.007","11.199","0.008","7.764","0.006","90","","108.4","0.01","90","","747.3","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Diammonium dihydrogendiphosphate","","- H10 N2 O7 P2 -","- H10 N2 O7 P2 -","- H40 N8 O28 P8 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Crystal structure of diammonium-dihydrogeno-diphosphate: (NH~4~)~2~H~2~P~2~O~7~","European Journal of Solid State Inorganic Chemistry","1992","29","","191","198","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007206","7.332","0.005","7.663","0.005","14.408","0.008","90","","90","","90","","809.5","","","","","","","","","","","","","5","I 2 m m","I -2 2","44","","Disodium strontium cyclo-tetraphosphate hexahydrate","","- H12 Na2 O18 P4 Sr -","- H12 Na2 O18 P4 Sr -","- H24 Na4 O36 P8 Sr2 -","2","0.25","","Durif, A; Averbuch-Pouchot, M T; Guitel, J C","Structure of Disodium Strontium Tetrametaphosphate Hexahydrate, Sr Na~2~ P~4~ O~12~ (H~2~ O)~6~","Acta Crystallographica C (39,1983-)","1983","39","","812","813","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007207","27.779","0.02","12.385","0.006","7.026","0.004","90","","90","","90","","2417.2","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Silver dihydrogendiphosphate","","- Ag2 H2 O7 P2 -","- Ag2 H2 O7 P2 -","- Ag32 H32 O112 P32 -","16","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal structure of silver-dihydrogeno-diphospate: Ag~2~H~2~P~2~O~7~","European Journal of Solid State Inorganic Chemistry","1992","29","","993","999","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007208","9.7","0.007","9.749","0.008","6.543","0.005","107.23","0.06","106.37","0.06","75.88","0.06","558.3","","","","","","","","","","","","","5","P 1","P 1","1","","Potassium cyclo-hexaphosphate nitrate hydrate","","- H2 K7 N O22 P6 -","- H2 K7 N O22 P6 -","- H2 K7 N O22 P6 -","1","1","","Averbuch-Pouchot, M T; Durif, A","Structural characterization of a series of cyclohexaphosphate nitrates: M~6~P~6~O~18~.MNO~3~.H~2~O. (M=K, NH~4~ and Rb)","European Journal of Solid State Inorganic Chemistry","1992","29","","1161","1172","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007209","6.622","0.002","10.031","0.004","11.25","0.004","104.06","0.05","101.21","0.05","90.88","0.05","709.5","","","","","","","","","","","","","4","P -1","-P 1","2","","Octasodium cyclo-octaphosphate hexahydrate","","- H12 Na8 O30 P8 -","- H12 Na8 O30 P8 -","- H12 Na8 O30 P8 -","1","0.5","","Schuelke, U; Averbuch-Pouchot, M T; Durif, A","Crystal structure of sodium cyclooctaphosphate hexahydrate, Na~8~P~8~O~24~ . 6H~2~O","Journal of Solid State Chemistry","1992","98","","213","218","10.1016/0022-4596(92)90090-I","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007210","15.146","0.006","11.049","0.006","12.189","0.006","117.15","0.04","109.72","0.04","90.54","0.04","1675.8","","","","","","","","","","","","","5","P -1","-P 1","2","","Ammonium cyclo-octaphosphate - telluric acid dihydrate (1/1)","","- H42 N8 O32 P8 Te -","- H42 N8 O32 P8 Te -","- H84 N16 O64 P16 Te2 -","2","1","","Averbuch-Pouchot, M - T; Durif, A","Ammonium cyclo-octaphosphate-telluric acid dihydrate adduct","Acta Crystallographica C (39,1983-)","1993","49","","361","363","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007211","7.977","0.003","9.064","0.006","11.406","0.006","90","","90.29","0.02","90","","824.7","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dicaesium phyllo-dihydrogendiphosphate","","- Cs2 H2 O7 P2 -","- Cs2 H2 O7 P2 -","- Cs8 H8 O28 P8 -","4","0.5","","Averbuch-Pouchot, M - T; Durif, A","Synthese et structure cristalline du dihydrogenodiphosphate de caesium","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993)","1993","316","","41","46","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007212","19.568","0.01","10.545","0.007","7.773","0.005","90","","90","","90","","1603.9","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Dirubidium phyllo-dihydrogendiphosphate hemihydrate","","- H3 O7.5 P2 Rb2 -","- H3.5 O7.5 P2 Rb2 -","- H28 O60 P16 Rb16 -","8","1","","Averbuch-Pouchot, M - T; Durif, A","Synthese et structure cristalline du dihydrogenodiphosphate de rubidium hemihydrate: Rb~2~H~2~P~2~O~7~ . 1/2H~2~O","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993)","1993","316","","469","476","","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007213","12.177","0.008","8.703","0.005","8.91","0.005","90","","117.32","0.05","90","","838.9","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diberyllium rubidium triphosphate","","- Be2 O10 P3 Rb -","- Be2 O10 P3 Rb -","- Be8 O40 P12 Rb4 -","4","0.5","","Averbuch-Pouchot, M - T; Durif, A","Preparation chimique et etude structurale d'un nouveau triphosphate: Be~2~RbP~3~O~10~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993)","1993","316","","609","614","","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007214","8.717","0.007","10.297","0.008","7.409","0.007","104.82","0.02","111.03","0.02","70.96","0.02","579.5","","","","","","","","","","","","","5","P -1","-P 1","2","","Dizinc diammonium cyclo-hexaphosphate octahydrate","","- H24 N2 O26 P6 Zn2 -","- H48 N2 O26 P6 Zn2 -","- H48 N2 O26 P6 Zn2 -","1","0.5","","Averbuch-Pouchot, M T; Durif, A","Elaboration and crystal structure of zinc-ammonium cyclohexaphosphate octahydrate: Zn~2~(NH~4~)~2~P~6~O~18~ . 8H~2~O","European Journal of Solid State Inorganic Chemistry","1993","30","","573","581","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007215","24.268","0.014","6.7","0.003","20.586","0.013","90","","112.06","0.06","90","","3102.1","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Octaammonium cyclo-octaphosphate trihydrate","","- H38 N8 O27 P8 -","- H38 N8 O27 P8 -","- H152 N32 O108 P32 -","4","1","","Schuelke, U; Averbuch-Pouchot, M T; Durif, A","Preparation and crystal structure of ammonium cyclooctaphosphate trihydrate: (NH~4~)~8~P~8~O~24~ . 3H~2~O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","374","380","10.1002/zaac.19936190223","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007216","11.315","0.009","10.67","0.01","7.547","0.003","108.72","0.05","100.3","0.02","66.8","0.05","791.7","","","","","","","","","","","","","5","P -1","-P 1","2","","Telluric acid - octapotassium cyclo-octaphosphate - water (1/1/2)","","- H10 K8 O32 P8 Te -","- H10 K8 O32 P8 Te -","- H10 K8 O32 P8 Te -","1","0.5","","Schuelke, U; Averbuch-Pouchot, M T; Durif, A","Chemical preparation and crystal structure of an adduct between potassium cyclooctaphosphate and telluric acid: Te(OH)~6~ . K~8~P~8~O~24~ . 2H~2~O","Zeitschrift fuer Kristallographie (149,1979-)","1993","204","","143","152","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007217","12.621","0.004","20.41","0.01","9.365","0.006","90","","110.45","0.04","90","","2260.3","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Octaguanidinium cyclo-octaphosphate dihydrate","","- C8 H52 N24 O26 P8 -","- C8 H52 N24 O26 P8 -","- C16 H104 N48 O52 P16 -","2","0.5","","Averbuch, - Pouchot M T; Durif, A; Schuelke, U","Guanidinium cyclooctaphosphate dihydrate elaboration and crystal structure","European Journal of Solid State Inorganic Chemistry","1993","30","","741","750","","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007219","20.38","0.01","12.683","0.005","7.83","0.002","90","","89.31","","90","","2023.7","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetracalcium tetrapotassium cyclo-tetraphosphate octahydrate","","- Ca4 H16 K4 O44 P12 -","- Ca4 H16 K4 O44 P12 -","- Ca8 H32 K8 O88 P24 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal Structures of Two New Types of cyclo-Tetraphosphates: Tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and Calcium disodium cyclo-tetraphosphate 5.5-hydrate","Acta Crystallographica C (39,1983-)","1988","44","","212","216","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007220","14.267","0.007","7.305","0.001","10.319","0.004","105.38","0.05","101.03","0.05","87.51","0.05","1017.8","","","","","","","","","","","","","5","P -1","-P 1","2","","Tetrasilver hexapotassium cyclo-decaphosphate decahydrate","","- Ag4 H20 K6 O40 P10 -","- Ag4 H20 K6 O40 P10 -","- Ag4 H20 K6 O40 P10 -","1","0.5","","Averbuch-Pouchot, M T; Durif, A; Schuelke, U","Silver-potassium cyclodecaphosphate decahydrate, Ag~4~K~6~P~10~O~30~.10H~2~O: a new example of a phosphoric 10-member ring anion","Journal of Solid State Chemistry","1992","97","","299","304","10.1016/0022-4596(92)90037-V","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007221","14.038","0.003","13.906","0.008","9.961","0.002","90","","90","","90","","1944.5","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Triguanidinium phosphate - guanidinium chloride - water (1/1/2)","","- C4 H28 Cl N12 O6 P -","- C4 H28 Cl N12 O6 P -","- C16 H112 Cl4 N48 O24 P4 -","4","1","","Averbuch-Pouchot, M.-T.; Durif, A.","Synthesis and crystal structure of an adduct between guanidinium monophosphate and guanidinium chloride: [C(NH2)3]3PO4 · [C(NH2)3]Cl · 2H2O","Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique, Chimie, Sciences de la Terre et de l'Univers","1993","317","9","1179","1184","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007222","6.905","0.002","9.346","0.003","9.876","0.002","95","0.02","104.36","0.02","107.75","0.03","578.8","","","","","","","","","","","","","5","P -1","-P 1","2","","Disodium lithium cyclo-triphosphate tetrahydrate","","- H8 Li Na2 O13 P3 -","- H8 Li Na2 O13 P3 -","- H16 Li2 Na4 O26 P6 -","2","1","","Averbuch-Pouchot, M - T; Durif, A","Disodium-lithium cyclotriphosphate tetrahydrate: Na~2~LiP~3~O~9~ . 4H~2~O","European Journal of Solid State Inorganic Chemistry","1993","30","","1075","1082","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007223","20.518","0.007","8.372","0.003","16.652","0.006","90","","106.55","0.03","90","","2741.9","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dicaesium dihydrogendiphosphate - telluric acid (1/1)","","- Cs2 H8 O13 P2 Te -","- Cs2 H8 O13 P2 Te -","- Cs16 H64 O104 P16 Te8 -","8","1","","Averbuch-Pouchot, M - T; Durif, A","Cs~2~H~2~P~2~O~7~.Te(OH)~6~, a new adduct between a diphosphate andtelluric acid","European Journal of Solid State Inorganic Chemistry","1993","30","","1153","1162","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007224","9.455","0.003","9.211","0.004","7.503","0.004","108.17","0.05","109.56","0.05","84.72","0.04","585","","","","","","","","","","","","","7","P -1","-P 1","2","","Copper dilithium bis(guanidinium) cyclo-hexaphosphate tetrahydrate","","- C2 H20 Cu Li2 N6 O22 P6 -","- C2 H20 Cu Li2 N6 O22 P6 -","- C2 H20 Cu Li2 N6 O22 P6 -","1","0.5","","Averbuch-Pouchot, M.-T.; Durif, A.","Copper-dilithium-(bis)guanidinium cyclohexaphosphate tetrahydrate","European Journal of Solid State Inorganic Chemistry","1993","30","","943","951","","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1007225","7.651","0.002","21.78999","0.01","6.689","0.002","90","","113.85","0.03","90","","1019.9","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ammonium dihydrogendiphosphate - telluric acid (1/0.5)","","- H13 N2 O10 P2 Te0.5 -","- H13 N2 O10 P2 Te0.5 -","- H52 N8 O40 P8 Te2 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.","Structure of an adduct between diammonium dihydrogendiphoshate and telluric acid: (NH~4~)~2~H~2~P~2~O~7~ . Te(OH)~6~","Acta Crystallographica, Section C: Crystal Structure Communications","1992","48","6","973","975","10.1107/s0108270191013604","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007226","7.999","0.003","7.956","0.003","6.733","0.003","115.18","0.05","80.55","0.05","96.11","0.05","382.2","","","","","","","","","","","","","5","P -1","-P 1","2","","Cadmium dipotassium dichromate dihydrate","","- Cd Cr4 H4 K2 O16 -","- Cd Cr4 H4 K2 O16 -","- Cd Cr4 H4 K2 O16 -","1","0.5","","Durif, A; Averbuch-Pouchot, M T","Structure du dichromate de cadmium-potassium dihydrate. Cd K2 (Cr2 O7)2 (H2 O)","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1456","1457","10.1107/S0567740879006713","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007227","9.832","0.003","8.651","0.003","7.615","0.003","105.99","0.05","91.34","0.05","102.26","0.05","606.1","","","","","","","","","","","","","5","P -1","-P 1","2","","Dicopper dicaesium cyclo-hexaphosphate octahydrate","","- Cs2 Cu2 H16 O26 P6 -","- Cs2 Cu2 H32 O26 P6 -","- Cs2 Cu2 H32 O26 P6 -","1","0.5","","Averbuch-Pouchot, M - T; Durif, A","Structure cristalline d'un nouveau type de cyclohexaphosphate, Cu2 Cs2 P6 O18 .8(H2O)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)","1994","318","","335","340","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007228","14.05","0.03","17.09","0.04","7.228","0.003","90","","103.85","0.05","90","","1685.1","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Lead rubidium catena-tris(phosphate(V))","","- O9 P3 Pb Rb -","- O9 P3 Pb Rb -","- O72 P24 Pb8 Rb8 -","8","2","","Prisset, J - L; Averbuch-Pouchot, M - T; Durif, A","The Pb (P O3)2-Rb (P O3) phase-equilibrium crystal structure of Pb Rb (P O3)3","European Journal of Solid State Inorganic Chemistry","1994","31","","37","46","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007229","7.147","0.002","3.655","0.001","15.763","0.008","90","","90","","90","","411.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Silver catena-vanadate(V) hydrate","","- Ag H2 O4 V -","- Ag H4 O4 V -","- Ag4 H16 O16 V4 -","4","0.5","","Averbuch-Pouchot, M - T; Durif, A","Preparation chimique et structure cristalline d'un polyvanadate d'argent hydrate: Ag V O3 . H2 O","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)","1994","319","","1319","1324","","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007230","8.726","0.004","12.71","0.006","8.926","0.004","90","","90","","90","","990","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Holmium pentaphosphate *","","- Ho O14 P5 -","- Ho O14 P5 -","- Ho4 O56 P20 -","4","0.5","","Tranqui, D; Bagieu-Beucher, M; Durif, A","Structure cristalline de l'ultraphosphate d'holmium Ho P5 O14","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1972","95","","437","440","","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007231","7.938","0.002","7.674","0.002","9.556","0.002","113.39","0.04","93.83","0.04","83","0.04","530.2","","","","","","","","","","","","","5","P -1","-P 1","2","","Caesium lithium cyclo-hexaphosphate hydrate (3.1/3/1/1.98)","","- Cs3.064 H3.96 Li3 O19.98 P6 -","- Cs3.064 H3.96 Li3 O19.98 P6 -","- Cs3.064 H3.96 Li3 O19.98 P6 -","1","0.5","","El Mokhtar, O S M; Rzaigui, M; Said, H; Averbuch-Pouchot, M T; Durif, A","Synthesis and crystal structure of cesium-lithium cyclohexaphosphate dihydrate","Materials Research Bulletin","1995","30","","1049","1054","10.1016/0025-5408(95)00072-0","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007232","7.661","0.001","7.341","0.001","8.518","0.001","114.27","0.01","111.71","0.01","83.83","0.01","405.2","","","","","","","","","","","","","4","P -1","-P 1","2","","Tetrahydrazinium cyclotetraphosphate","","- H20 N8 O12 P4 -","- H20 N8 O12 P4 -","- H20 N8 O12 P4 -","1","0.5","","Thabet, H; Bdiri, M; Jouini, A; Durif, A","Structure du tetrahydrazinium cyclotetraphosphate: (N H2 - N H3)4 P4 O12","Journal of Solid State Chemistry","1992","101","","211","220","10.1016/0022-4596(92)90177-W","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007233","14.773","0.002","15.758","0.003","19.91409","0.0002","90","","90","","90","","4635.9","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetracalcium dipotassium cyclo-decaphosphate 16-hydrate","","- Ca4 H32 K2 O46 P10 -","- Ca4 H32 K2 O46 P10 -","- Ca16 H128 K8 O184 P40 -","4","1","","Averbuch-Pouchot, M-T; Durif, A; Schuelke, U","The calcium-potassium cyclodecaphosphate hexadecahydrate: Ca4 K2 P10 O30 . 16(H2 O)","European Journal of Solid State Inorganic Chemistry","1996","33","","1091","1100","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007234","8.52","","8.52","","5.21","","90","","90","","90","","378.2","","","","","","","","","","","","synthetic at 1350 C","4","P 4 b m","P 4 -2ab","100","","Barium titanium silicate","Fresnoite","- Ba2 O8 Si2 Ti -","- Ba2 O8 Si2 Ti -","- Ba4 O16 Si4 Ti2 -","2","0.25","","Masse, R; Grenier, J C; Durif, A","Structure cristalline de la fresnoite","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","20","23","","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007235","12.57","","12.57","","12.57","","90","","90","","90","","1986.1","","","","","","","","","","","","synthetic","4","I a -3 d","-I 4bd 2c 3","230","","Dialuminium tricalcium oxide hexahydrate","Hydrogarnet","- Al2 Ca3 H12 O12 -","- Al2 Ca3 H12 O12 -","- Al16 Ca24 H96 O96 -","8","0.0833333","","Cohen-Addad, C; Ducros, P; Durif, A; Bertaut, E F; Delapalme, A","Determination de la position des atomes d'hydrogene dans l'hydrogrinat Al2 O3, (Ca O)3 (H2 O)6 par resonance magnetique nucleaire et diffraction neutronique","Journal de Physique (Paris)","1964","25","","478","483","10.1051/jphys:01964002505047800","","","","","","0.13","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007236","18.32999","0.09","5.45","0.04","9.25","0.06","90","","90.14","0.08","90","","924.1","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Caesium zinc phosphate(V) - III","","- Cs O4 P Zn -","- Cs O4 P Zn -","- Cs8 O32 P8 Zn8 -","8","2","","Blum, D; Durif, A; Averbuch-Pouchot, M T","Crystal structures of the three forms of Cs Zn P O4","Ferroelectrics","1986","69","","283","292","10.1080/00150198608008201","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007237","9.236","0.006","5.462","0.003","9.342","0.007","90","","90","","90","","471.3","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Caesium zinc phosphate(V) - II","","- Cs O4 P Zn -","- Cs O4 P Zn -","- Cs4 O16 P4 Zn4 -","4","1","","Blum, D; Durif, A; Averbuch-Pouchot, M T","Crystal structures of the three forms of Cs Zn P O4","Ferroelectrics","1986","69","","283","292","10.1080/00150198608008201","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007238","9.194","0.003","5.49","0.002","9.388","0.004","90","","90","","90","","473.9","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Caesium zinc phosphate(V) - I","","- Cs O4 P Zn -","- Cs O4 P Zn -","- Cs4 O16 P4 Zn4 -","4","0.5","","Blum, D; Durif, A; Averbuch-Pouchot, M T","Crystal structures of the three forms of Cs Zn P O4","Ferroelectrics","1986","69","","283","292","10.1080/00150198608008201","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007239","8.75","0.004","12.99","0.006","8.944","0.004","90","","90","","90.45","0.01","1016.6","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","Samarium pentaphosphate","","- O14 P5 Sm -","- O14 P5 Sm -","- O56 P20 Sm4 -","4","1","","Tranqui, D; Bagieu, M; Durif, A","Structure cristalline de l'ultraphosphate de Samarium Sm P5 O14","Acta Crystallographica B (24,1968-38,1982)","1974","30","","1751","1755","10.1107/S0567740874005747","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007240","8.72","","12.71","","8.926","","90","","90","","90","","989.3","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Holmium phyllo-pentaphosphate","","- Ho O14 P5 -","- Ho O14 P5 -","- Ho4 O56 P20 -","4","0.5","","Durif, A","Les ultraphosphates","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1971","94","","314","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007241","8.703","","8.197","","8.613","","90","","90","","90","","614.4","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Lithium copper catena-phosphate","","- Cu Li O9 P3 -","- Cu Li O9 P3 -","- Cu4 Li4 O36 P12 -","4","1","","Laugt, M; Durif, A","Etude systematique des phosphates condenses","Seminaire de Chimie de l'Etat Solide 1971-72","1972","1972","","157","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007242","10.94","","12.25","","7.904","","90","","100.49","","90","","1041.6","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Dipotassium copper catena-phosphate","","- Cu K2 O12 P4 -","- Cu K2 O12 P4 -","- Cu4 K8 O48 P16 -","4","1","","Laugt, M; Durif, A","Etude systematique des phosphates condenses","Seminaire de Chimie de l'Etat Solide 1971-72","1972","1972","","157","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007243","11.67","0.01","11.67","0.01","12.12","0.01","90","","90","","120","","1429.5","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Tellurium hexahydroxide - trisodiumcyclo-triphosphate - water (1/2/6)","","- H18 Na6 O30 P6 Te -","- H15 Na6 O30 P6 Te -","- H30 Na12 O60 P12 Te2 -","2","0.166667","","Boudjada, N; Averbuch-Pouchot, M T; Durif, A","Structure du trimetaphosphate-tellurate de sodium hexahydrate Te (O H)6 (Na3 P3 O9)2 (H2 O)6","Acta Crystallographica B (24,1968-38,1982)","1981","37","","645","647","10.1107/S0567740881003762","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007244","12.033","0.008","12.033","0.008","10.032","0.008","90","","90","","120","","1258","","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","Triammonium tetrachromatophosphate","","- Cr4 H12 N3 O16 P -","- Cr4 H12 N3 O16 P -","- Cr12 H36 N9 O48 P3 -","3","0.166667","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Crystal structure of an ammonium phospho-chromate: (N H4)3 P Cr4 O16","Journal of Solid State Chemistry","1981","36","","381","384","10.1016/0022-4596(81)90450-3","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1007245","5.142","","11.93","","12.95","","90","","90","","90","","794.4","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Ammonium cobalt catena-phosphate","","- Co H4 N O9 P3 -","- Co H4 N O9 P3 -","- Co4 H16 N4 O36 P12 -","4","0.5","","Tranqui, D; Grenier, J C; Durif, A; Guitel, J C","Structure cristalline de la variete orthorhombique du metaphosphate de cobalt-ammonium: Co N H4 (P O3)3","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","252","256","","","","","","","0.13","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007246","6.7855","0.0005","6.7855","0.0005","16.30099","0.002","90","","90","","120","","650","","","","","","","","","","","","","2","R 3 :H","R 3","146","","Iron arsenide (12/5)","","- As5 Fe12 -","- As5 Fe12 -","- As15 Fe36 -","3","0.333333","","Maaref, S; Maddar, R; Chaudouet, P; Fruchart, R; Senateur, J P; Averbuch-Pouchot, M T; Bacmann, M; Durif, A; Wolfers, P","Etude de la structure et des conditions de stabilite d'un nouvel arseniure de fer: Fe12 As5","Materials Research Bulletin","1983","18","","473","480","10.1016/0025-5408(83)90139-3","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007247","5.212","0.003","9.913","0.005","4.475","0.003","90","","97.46","0.1","90","","229.3","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Dinickel diphosphate","","- Ni2 O7 P2 -","- Ni2 O7 P2 -","- Ni4 O14 P4 -","2","0.5","","Masse, R; Guitel, J C; Durif, A","Structure cristalline d'une nouvelle variante de pyrophosphate de nickel Ni2 P2 O7","Materials Research Bulletin","1979","14","","337","341","10.1016/0025-5408(79)90098-9","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007248","11.549","0.005","11.549","0.005","9.114","0.005","90","","90","","120","","1052.8","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Barium tetracaesium hexakis(phosphate(V))","","- Ba Cs4 O18 P6 -","- Ba Cs4 O18 P6 -","- Ba2 Cs8 O36 P12 -","2","0.333333","","Averbuch-Pouchot, M T; Durif, A","Structure of monobarium tetracaesium polyphosphate","Acta Crystallographica C (39,1983-)","1986","42","","928","930","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007249","13.084","0.005","13.084","0.005","34.79999","0.02","90","","90","","120","","5159.3","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Potassium cyclo-hexaphosphate(V) bis(hexahydrogentellurate) trihydrate","","- H18 K6 O33 P6 Te2 -","- H31 K6 O33 P6 Te2 -","- H186 K36 O198 P36 Te12 -","6","0.166667","","Averbuch-Pouchot, M T; Durif, A","Crystal chemistry of cyclo-hexaphosphates. XVI.Structures of potassium cyclo-hexaphosphate ditellurate trihydrate and rubidium cyclo- hexaphosphate tritellurate tetrahydrate","Acta Crystallographica C (39,1983-)","1991","47","","1576","1579","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007250","11.957","0.005","11.957","0.005","12.27","0.005","90","","90","","90","","1754.2","","","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Trilead bis(cyclo-triphosphate(V)) trihydrate","","- H6 O21 P6 Pb3 -","- H6 O21 P6 Pb3 -","- H24 O84 P24 Pb12 -","4","0.5","","Brunel-Lauegt, M; Tordjman, I; Durif, A","Structure cristalline du trimetaphosphate de plomb trihydrate, Pb3 (P3 O9)2 (H2 O)3","Acta Crystallographica B (24,1968-38,1982)","1976","32","","3246","3249","10.1107/S0567740876010030","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","186636","2020-10-21","18:00:00",""
"1007251","14.94","0.01","9.192","0.007","7.219","0.005","90","","90.79","0.01","90","","991.3","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cadmium barium tetrakis(catena-phosphate(V))","","- Ba Cd O12 P4 -","- Ba Cd O12 P4 -","- Ba4 Cd4 O48 P16 -","4","1","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Structure cristalline du polyphophate de cadmium-baryum: Cd Ba (P O3)4","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2453","2456","10.1107/S0567740875007789","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007252","10.766","0.008","10.316","0.008","8.525","0.005","111.39","0.05","115.08","0.05","70.19","0.05","779.2","","","","","","","","","","","","","4","P -1","-P 1","2","","Pentazinc bis(triphosphate(V)) 17-hydrate","","- H34 O37 P6 Zn5 -","- H34 O37 P6 Zn5 -","- H34 O37 P6 Zn5 -","1","0.5","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Structure cristalline du tripolyphosphate de zinc heptadecahydrate: Zn5 (P3 O10)2 (H2 O)17","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2482","2486","10.1107/S0567740875007832","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007254","5.55","","8.85","","4.805","","90","","90","","90","","236","","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","Ammonium cobalt phosphate hydrate","","- Co H6 N O5 P -","- Co H6 N O5 P -","- Co2 H12 N2 O10 P2 -","2","0.5","","Tranqui, D; Durif, A; Guitel, J C; Averbuch-Pouchot, M T","Contribution a l'etude des phosphates ammoniaco-metalliques monohydrates: II. Structure cristalline du phosphate de cobalt-ammonium monohydrate: Co N H4 P O4, H2 O","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1968","91","","10","12","","","","","","","0.01","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007255","11.72","0.03","14.89","0.03","16.59","0.03","90","","90","","90","","2895.1","","","","","","","","","","","","","5","P b c 21","P 2c -2b","29","","Sodium tris(chromato)phosphate(V) trihydrate","","- Cr3 H6 Na3 O16 P -","- Cr3 H6 Na3 O16 P -","- Cr24 H48 Na24 O128 P8 -","8","2","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Crystal structure of Na3 P Cr3 O13 (H2 O)13: A new type of chromophosphoric anion","Journal of Solid State Chemistry","1980","33","","325","333","10.1016/0022-4596(80)90153-X","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007256","8.213","0.002","8.213","0.002","8.213","0.002","90","","90","","90","","554","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","Trigermanium dizinc oxide","","- Ge3 O8 Zn2 -","- Ge3 O8 Zn2 -","- Ge12 O32 Zn8 -","4","0.166667","","Joubert, J C; Durif, A","Preparation de spinelles lacunaires par reaction d'echange a l'etat solide.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1963","256","","4403","4405","","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007257","6.605","","6.605","","9.772","","90","","90","","120","","369.2","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Potassium magnesium tris(catena-phosphate(V))","","- K Mg O9 P3 -","- K Mg O9 P3 -","- K2 Mg2 O18 P6 -","2","0.166667","","Masse, R; Grenier, J C; Averbuch-Pouchot, M T; Tranqui, D; Durif, A","Etude cristallographique de trimetaphosphates hexagonaux du type M(II) N H4 (P O3)3 (M(II)= Zn, Co, Ca, Cd, Mg, Mn). Etude d'un cycle P3 O9 dans un sel de potassium isomorphe. Mg K (P O3)3","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","158","161","","","","","","","0.093","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007258","15.66","0.05","6.314","0.005","9.818","0.005","90","","105.4","0.5","90","","935.9","","","","","","","","","","","","","5","P 1 n 1","P -2yac","7","","Telluric acid - ammonium dihydrogenphoshate - diammonium hydrogenphosphate (1/2/1)","","- H27 N4 O18 P3 Te -","- H49 N4 O18 P3 Te -","- H98 N8 O36 P6 Te2 -","2","1","","Averbuch-Pouchot, M T; Durif, A","Crystal structure of ammonium phosphate tellurate Te (O H)6 (N H4 H2 P O4)2 (N H4)2 H P O4 (T.A.A.P.). Crystal data for two isotypic salts: Te (O H)6 (K H2 P O4)2 K2 H P O4 and Te (O H)6 (N H4 H2 As O4)2 (N H4)2 H As O4","Ferroelectrics","1984","52","","271","279","10.1080/00150198408209395","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007259","11.813","0.008","7.292","0.003","20.2","0.08","90","","105.19","0.05","90","","1679.2","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraammonium sodium triphosphate(V) tetrahydrate","","- H24 N4 Na O14 P3 -","- H24 N4 Na O14 P3 -","- H96 N16 Na4 O56 P12 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Structure of tetraammonium monosodium triphosphate tetrahydrate","Acta Crystallographica C (39,1983-)","1985","41","","1553","1555","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007260","20.29799","0.02","8.73","0.003","8.766","0.003","90","","109.98","0.06","90","","1459.9","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tribarium dibismuth tetrakis(phosphate(V))","","- Ba3 Bi2 O16 P4 -","- Ba3 Bi2 O16 P4 -","- Ba12 Bi8 O64 P16 -","4","0.5","","Masse, R; Durif, A","Structure of tribarium dibismuth tetrakis(phosphate)","Acta Crystallographica C (39,1983-)","1985","41","","1717","1718","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007261","13.524","0.008","8.362","0.005","14.39","0.008","90","","92.58","0.05","90","","1625.7","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diammonium disodium mercury bis(triphosphate(V))","","- H8 Hg N2 Na2 O18 P6 -","- H12 Hg0.9999 N2 Na2.0001 O18 P6 -","- H48 Hg3.9996 N8 Na8.0004 O72 P24 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Structure of diammonium disodium mercury(II) trimetaphosphate","Acta Crystallographica C (39,1983-)","1986","42","","932","933","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007262","15.36","0.01","7.93","0.005","6.487","0.005","90","","90.51","0.01","90","","790.1","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Niobium magnesium diphosphate (2.02/0.98/3)","","- Mg0.98 Nb2.02 O21 P6 -","- Mg0.98 Nb2.02 O21 P6 -","- Mg1.96 Nb4.04 O42 P12 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal data and structure of Nb2 Co (P2 O7)3 and Nb2 Mg (P2 O7)3","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","195","202","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007263","7.855","0.001","8.61","0.002","11.399","0.004","90","","90","","90","","770.9","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Beryllium potassium tris(phosphate(V))","","- Be K O9 P3 -","- Be K O9 P3 -","- Be4 K4 O36 P12 -","4","1","","Durif, A; Averbuch-Pouchot, M T; Guitel, J C","Crystal structure of a beryllium-potassium polyphosphate: Be K (P O3)3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1986","177","","139","142","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007264","30.84499","0.015","30.84499","0.015","13.085","0.003","90","","90","","120","","10781.4","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Bismuth trisodium bis(triphosphate(V)) nonahydrate","","- Bi H18 Na3 O27 P6 -","- Bi H18 Na3 O27 P6 -","- Bi18 H324 Na54 O486 P108 -","18","0.5","","Bagieu-Beucher, M; Durif, A","Preparation and crystal structure of bismuth trisodium trimetaphosphate nonahydrate: Bi Na3 (P3 O9)2 * 9 H2 O","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1987","178","","239","247","10.1524/zkri.1987.178.1-4.239","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007265","6.8234","0.0005","6.8234","","16.364","0.002","90","","90","","120","","659.8","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Iron ruthenium arsenide (10/2/5)","","- As5 Fe10.77 Ru1.23 -","- As5 Fe10.77 Ru1.23 -","- As15 Fe32.31 Ru3.69 -","3","0.333333","","Maaref, S; Madar, R; Chaudouet, P; Fruchart, R; Senateur, J P; Averbuch-Pouchot, M T; Bacmann, M; Durif, A; Wolfers, P","Etude des la structure et des conditions de stabilite d'un nouvel arseniure de fer: Fe12 As5","Materials Research Bulletin","1983","18","","473","480","10.1016/0025-5408(83)90139-3","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007266","6.886","0.002","9.494","0.003","6.797","0.002","110.07","0.02","104.69","0.02","86.68","0.02","403.5","","","","","","","","","","","","","4","P -1","-P 1","2","","Disodium potassium cyclo-triphosphate","","- K Na2 O9 P3 -","- K Na2 O9 P3 -","- K2 Na4 O18 P6 -","2","1","","Tordjman, I; Durif, A; Cavero-Ghersi, C","Structure cristalline du trimetaphosphate de sodiumpotassium: N A K P3 O9","Acta Crystallographica B (24,1968-38,1982)","1974","30","","2701","2704","10.1107/S0567740874007849","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008000","9.559","0.009","8.668","0.008","5.015","0.005","90","","90","","90","","415.5","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Molybdenum hexafluoride","","- F6 Mo -","- F6 Mo -","- F24 Mo4 -","4","0.5","","Levy, J. H.; Taylor, J. C.; Wilson, P. W.","Structures of fluorides. IX. The orthorhombic form of molybdenum hexafluoride","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1975","31","","398","401","10.1107/S0567740875002890","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","297366","2025-01-17","10:57:25",""
"1008001","10.473","0.004","10.683","0.005","8.629","0.003","101.08","0.01","109.81","0.01","98.87","0.01","865.9","","","","","","","","","","","","","5","P -1","-P 1","2","","Zinc silver hydrogen triphosphate hydrate (2/.6/.4/1/9)","","- Ag0.62 H18.38 O19 P3 Zn2 -","- Ag0.62 H27.19 O19 P3 Zn2 -","- Ag1.24 H54.38 O38 P6 Zn4 -","2","1","","Averbuch-Pouchot, M T; Guitel, J C","Structure cristalline d'un tripolyphosphate acide mixte zinc-argent nonahydrate: Zn~2~ Ag~0.62~ H~0.38~ P~3~ O~10~ (H~2~ O)~9~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2270","2274","10.1107/S0567740876007577","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008002","4.99","0.001","4.99","0.001","4.622","0.001","90","","90","","120","","99.7","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","DICHROMIUM URANIUM(VI) OXIDE","","- Cr2 O6 U -","- Cr2 O6 U -","- Cr2 O6 U -","1","0.0833333","","Collomb, A; Gondrand, M; Lehmann, M; Capponi, J J; Joubert, J C","Etude par diffractions X et neutronique d'un monocristal de U Cr~2~ O~6~ obtenu par synthese hydrothermale sous tres haute pression. Determination des structures cristallographique et magnetique","Journal of Solid State Chemistry","1976","16","","41","48","10.1016/0022-4596(76)90005-0","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008003","4.99","0.001","4.99","0.001","4.622","0.001","90","","90","","120","","99.7","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","DICHROMIUM URANIUM(VI) OXIDE","","- Cr2 O6 U -","- Cr2 O6 U -","- Cr2 O6 U -","1","0.0833333","","Collomb, A; Gondrand, M; Lehmann, M; Capponi, J J; Joubert, J C","Etude par diffractions X et neutronique d'un monocristal de Cr~2~ O~6~ U obtenu par synthese hydrothermale sous tres haute pression. Determination des structures cristallographique et magnetique","Journal of Solid State Chemistry","1976","16","","41","48","10.1016/0022-4596(76)90005-0","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008004","9.9","0.002","8.962","0.002","5.207","0.002","90","","90","","90","","462","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","URANIUM(VI) FLUORIDE","","- F6 U -","- F6 U -","- F24 U4 -","4","0.5","","Levy, J H; Taylor, J C; Wilson, P W","Structure of fluorides. Part XII. single-crystal neutron diffraction study of uranium hexafluoride at 293 K","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1976","1976","","219","224","","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008005","10.714","0.008","10.658","0.008","8.391","0.005","114.51","0.01","103.21","0.01","74.31","0.01","831.9","","","","","","","","","","","","","4","P -1","-P 1","2","","DIZINC HYDROGENTRIPHOSPHATE HEXAHYDRATE","","- H13 O16 P3 Zn2 -","- H6.5 O16 P3 Zn2 -","- H13 O32 P6 Zn4 -","2","1","","Averbuch-Pouchot, M T; Guitel, J C","Structure cristalline du tripolyphosphate acide de zinc hexahydrate, Zn~2~ H P~3~ O~10~ (H~2~ O)~6~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1670","1673","10.1107/S0567740876006213","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008006","12.407","0.002","7.198","0.001","5.812","0.001","90","","90","","90","","519","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","IRON TETRATHIOSILICATE","","- Fe2 S4 Si -","- Fe2 S4 Si -","- Fe8 S16 Si4 -","4","0.5","","Vincent, H; Bertaut, E","Polyhedral deformations in olivine-type compounds and the crystal structure of Fe~2~ Si S~4~ and Fe~2~ Ge S~4~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1749","1755","10.1107/S056774087600633X","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008007","12.467","0.002","7.213","0.001","5.902","0.001","90","","90","","90","","530.7","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","IRON TETRATHIOGERMANATE","","- Fe2 Ge S4 -","- Fe2 Ge S4 -","- Fe8 Ge4 S16 -","4","0.5","","Vincent, H; Bertaut, E","Polyhedral deformations in olivine-type compounds and the crystal structure of Fe~2~ Si S~4~ and Fe~2~ Ge S~4~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1749","1755","10.1107/S056774087600633X","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008008","9.525","0.002","9.989","0.003","9.461","0.002","90","","92.01","","90","","899.6","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","DILITHIUM MERCURY CATENA-PHOSPHATE","","- Hg Li2 O12 P4 -","- Hg Li2 O12 P4 -","- Hg4 Li8 O48 P16 -","4","1","","Averbuch-Pouchot, M T; Tordjman, I; Guitel, J C","Structures cristallines des polyphosphates de cadmium-lithium et de mercure-lithium Cd Li~2~ (P O~3~)~4~ et Hg Li~2~ (P O~3~)~4~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2953","2956","10.1107/S0567740876009357","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008009","9.495","0.003","10.15","0.01","9.375","0.003","90","","90","","90","","903.5","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","DILITHIUM CADMIUM CATENA-PHOSPHATE","","- Cd Li2 O12 P4 -","- Cd Li2 O12 P4 -","- Cd4 Li8 O48 P16 -","4","0.5","","Averbuch-Pouchot, M T; Tordjman, I; Guitel, J C","Structures cristallines des polyphosphates de cadmium-lithium et de mercure-lithium Cd Li~2~ (P O~3~)~4~ et Hg Li~2~ (P O~3~)~4~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2953","2956","10.1107/S0567740876009357","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008010","12.506","0.005","12.506","0.005","12.506","0.005","90","","90","","90","","1955.9","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","Aquaoxonium dodecatungstophosphate","","- H15 O46 P W12 -","- H15 O46 P W12 -","- H30 O92 P2 W24 -","2","0.0416667","","Brown, G M; Noe-Spirlet, M R; Busing, W R; Levy, H A","Dodecatungstophosphoric acid hexahydrate, (H~5~ O~2~)~3~ (P W~12~ O~40~), the true structure of Keggin's 'pentahydrate' from single crystal X-ray and neutron diffraction data","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1038","1046","10.1107/S0567740877005330","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008011","12.506","0.005","12.506","0.005","12.506","0.005","90","","90","","90","","1955.9","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","Aquaoxonium dodecatungstophosphate","","- H15 O46 P W12 -","- H27 O46 P W12 -","- H54 O92 P2 W24 -","2","0.0416667","","Brown, G M; Noe-Spirlet, M R; Busing, W R; Levy, H A","Dodecatungstophosphoric acid hexahydrate, (H~5~ O~2~)~3~ (P W~12~ O~40~), the true structure of Keggin's 'pentahydrate' from single crystal X-ray and neutron diffraction data","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1038","1046","10.1107/S0567740877005330","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008012","10.454","0.005","10.675","0.005","8.629","0.004","101.14","0.02","109.85","0.02","99.03","0.02","862.5","","","","","","","","","","","","","5","P -1","-P 1","2","","SODIUM DIZINC TRIPHOSPHATE NONAHYDRATE","","- H18 Na O19 P3 Zn2 -","- H18 Na O19 P3 Zn2 -","- H36 Na2 O38 P6 Zn4 -","2","1","","Averbuch-Pouchot, M T; Guitel, J C","Structure cristalline du tripolyphosphate mixte zinc-sodium nonahydrate : Zn~2~ Na P~3~ O~10~ . 9 H~2~ O","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1427","1431","10.1107/S0567740877006220","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008013","12.076","0.009","8.443","0.007","9.352","0.007","90","","112.1","0.01","90","","883.5","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","IRON(III) DIHYDROGENTRIPHOSPHATE HYDRATE","","- Fe H4 O11 P3 -","- Fe H4 O11 P3 -","- Fe4 H16 O44 P12 -","4","0.5","","Averbuch, M T; Guitel, J C","Un tripolyphosphate acide de fer Fe H~2~ P~3~ O~10~ . H~2~ O","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1613","1615","10.1107/S0567740877006669","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008014","10.038","0.002","14.431","0.002","8.1617","0.0006","90","","90.85","0.01","90","","1182.2","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Molybdenum tellurium oxide (5/1/16)","","- Mo5 O16 Te -","- Mo5 O16 Te -","- Mo20 O64 Te4 -","4","1","","Arnaud, Y; Guidot, J","Structure cristalline de l'oxyde mixte de molybdene-tellure: Mo~5~ Te O~16~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2151","2155","10.1107/S0567740877007936","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008015","4.8551","","4.8551","","4.5326","","90","","90","","120","","92.5","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","MANGANESE NITRIDE (2/0.9)","","- Mn2 N0.86 -","- Mn2 N0.86 -","- Mn6 N2.58 -","3","0.25","","Eddine, M N; Bertaut, E F; Maunaye, M","Structure cristallographique de Mn~2~ N~0.86~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2696","2698","10.1107/S0567740877009261","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008016","2.8831","","2.9638","","4.1342","","90","","90","","90","","35.3","","","","","","","","","","","","","3","P n m m :2","-P 2c 2bc","59","","Chromium vanadium nitride (0.9/0.1/1)","","- Cr0.9375 N V0.0625 -","- Cr0.9375 N V0.0625 -","- Cr1.875 N2 V0.125 -","2","0.25","","Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J","Etude cristallographique de Cr~1-x~ V~x~ N a basse temperature","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3010","3013","10.1107/S0567740877010164","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008017","2.884","","2.962","","4.1314","","90","","90","","90","","35.3","","","","","","","","","","","","","3","P n m m :2","-P 2c 2bc","59","","Chromium vanadium nitride (0.9/0.1/1)","","- Cr0.875 N V0.125 -","- Cr0.875 N V0.125 -","- Cr1.75 N2 V0.25 -","2","0.25","","Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J","Etude cristallographique de Cr~1-x~ V~x~ N a basse temperature","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3010","3013","10.1107/S0567740877010164","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008018","10.64","0.005","12.35","0.006","15.94","0.006","90","","94.27","0.01","90","","2088.8","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium tetrakis(oxalato)hafnate pentahydrate","","- C8 H10 Hf K4 O21 -","- C8 H10 Hf K4 O21 -","- C32 H40 Hf4 K16 O84 -","4","1","","Tranqui, D.; Boyer, P.; Laugier, J.; Vulliet, P.","Structure cristalline du tetrakisoxalatohafniate de potassium pentahydrate K~4~ Hf (C~2~ O~4~)~4~ (H~2~ O)~5~","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1977","33","","3126","3133","10.1107/S0567740877010395","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","205550","2020-10-21","18:00:00",""
"1008019","10.211","0.009","16.56","0.01","5.632","0.003","90","","103.73","0.01","90","","925.1","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","Ammonium cadmium sodium diphosphate trihydrate","","- Cd H10 N Na O10 P2 -","- Cd H10 N Na O10 P2 -","- Cd4 H40 N4 Na4 O40 P8 -","4","1","","Averbuch-Pouchot, M T; Guitel, J C","Donnees cristallochimiques sur deux nouveaux diphosphates mixtes, Ca N H~4~ Na P~2~ O~7~ (H~2~ O)~3~ et Cd N H~4~ Na P~2~ O~7~ (H~2~ O)~3~ et structure cristalline de Cd N H~4~ Na P~2~ O~7~ (H~2~ O)~3~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3460","3462","10.1107/S0567740877011194","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008020","9.235","0.005","7.599","0.004","7.148","0.004","96.38","0.01","103.9","0.01","102.06","0.01","469.3","","","","","","","","","","","","","5","P -1","-P 1","2","","Cadmium tetrapotassium bis(cyclo-triphosphate) dihydrate","","- Cd H4 K4 O20 P6 -","- Cd H4 K4 O20 P6 -","- Cd H4 K4 O20 P6 -","1","0.5","","Averbuch-Pouchot, M T","Donnes cristallochimiques et structure cristalline du trimetaphosphate: Cd K~4~ (P~3~ O~9~)~2~ (H~2~ O)~2~","Acta Crystallographica B (24,1968-38,1982)","1978","34","","20","22","10.1107/S0567740878002228","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008021","14.011","0.016","4.328","0.005","10.005","0.011","90","","90","","90","","606.7","","","","","","","","","","","","","2","C c m m","-C 2c 2c","63","","URANIUM(III) IODIDE","","- I3 U -","- I3 U -","- I12 U4 -","4","0.25","","Levy, J H; Taylor, J C; Wilson, P W","The structure of uranium(III) triiodide by neutron diffraction","Acta Crystallographica B (24,1968-38,1982)","1975","31","","880","882","10.1107/S0567740875003986","","","","","","0.15","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008022","6.221","0.005","6.221","0.005","6.221","0.005","90","","90","","90","","240.8","","","","","","","","","","","","","2","I 4 3 2","I 4 2 3","211","","Molybdenum hexafluoride","","- F6 Mo -","- F6 Mo -","- F12 Mo2 -","2","0.0416667","","Levy, J. H.; Sanger, P. L.; Taylor, J. C.; Wilson, P. W.","The structures of fluorides. XI. Cubic harmonic analysis of the neutron diffraction pattern of the body-centred cubic phase of Mo F~6~ at 266 K","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1975","31","","1065","1067","10.1107/S0567740875004505","","","","","","0.103","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008023","4.11","0.01","4.43","0.01","7.63","0.01","90","","110","0.5","90","","130.5","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Sulfur nitride","","- N S -","- N S -","- N4 S4 -","4","1","","Heger, G; Klein, S; Pintschovius, L; Kahlert, H","Determination of the crystal structure of (S N)~x~ by neutron diffraction","Journal of Solid State Chemistry","1978","23","","341","347","10.1016/0022-4596(78)90082-8","","","","","","0.109","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008024","5.509","0.001","7.008","0.002","12.256","0.002","95.1","0.02","95.17","0.01","109.25","0.02","441.3","","","","","","","","","","","","","2","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","Vanadium oxide (4/7)","","- O7 V4 -","- O7 V4 -","- O28 V16 -","4","","","Hodeau, J L; Marezio, M","The crystal structure of V~4~ O~7~ at 120K","Journal of Solid State Chemistry","1978","23","","253","263","10.1016/0022-4596(78)90072-5","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008025","5.503","0.001","6.997","0.002","12.256","0.002","94.86","0.02","95.17","0.01","109.39","0.01","440","","","","","","","","","","","","","2","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","Vanadium oxide (4/7) - low-temperature phase","","- O7 V4 -","- O7 V4 -","- O28 V16 -","4","","","Hodeau, J L; Marezio, M","The crystal structure of V~4~ O~7~ at 120K","Journal of Solid State Chemistry","1978","23","","253","263","10.1016/0022-4596(78)90072-5","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008026","5.9522","0.0009","21.618","0.006","7.543","0.003","90","","103.804","0.024","90","","942.6","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium thiosulfate pentahydrate","","- H10 Na2 O8 S2 -","- H10 Na2 O8 S2 -","- H40 Na8 O32 S8 -","4","1","","Lisensky, G C; Levy, H A","Sodium thiosulfate pentahydrate: a redetermination by neutron diffraction","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1975","1977","10.1107/S0567740878007116","","","","","","0.087","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008027","23.03","0.01","11.882","0.004","8.732","0.004","90","","90","","90","","2389.4","","","","","","","","","","","","","5","F m 2 m","F -2 -2","42","","Nickel tetrapotassium cyclo-triphosphate heptahydrate","","- H14 K4 Ni O25 P6 -","- H14 K4 Ni O25 P6 -","- H56 K16 Ni4 O100 P24 -","4","0.25","","Seethanen, D; Tordjman, I; Averbuch-Pouchot, M T","Structure cristalline du trimetaphosphate mixte de nickelpotassium heptahydrate, Ni K~4~ (P~3~ O~9~)~2~ (H~2~ O)~7~, et donnees cristallographiques de Co K~4~ (P~3~ O~9~)~2~ (H~2~ O)~7~","Acta Crystallographica B (24,1968-38,1982)","1978","34","","2387","2390","10.1107/S0567740878008298","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008028","6.7215","0.0002","10.908","0.0003","7.1316","0.0002","90","","91.104","0.003","90","","522.8","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Barium chloride dihydrate","","- Ba Cl2 H4 O2 -","- Ba Cl2 H4 O2 -","- Ba4 Cl8 H16 O8 -","4","1","","Padmanabhan, V M; Busing, W R; Levy, H A","Barium chloride dihydrate by neutron diffraction","Acta Crystallographica B (24,1968-38,1982)","1978","34","","2290","2292","10.1107/S056774087800792X","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008029","10.97","0.02","10.97","0.02","10.97","0.02","90","","90","","90","","1320.1","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","Dicaesium lead hexanitrocuprate - $-alpha","","- Cs2 Cu N6 O12 Pb -","- Cs2 Cu N6 O12 Pb -","- Cs8 Cu4 N24 O48 Pb4 -","4","0.0416667","","Klein, S; Reinen, D","The structure of the high temperature $-alpha modification of Cs~2~ Pb Cu (N O~2~)~6~ and the Jahn-Teller induced $-alpha $-beta phase transition - a neutron diffraction study","Journal of Solid State Chemistry","1978","25","","295","299","10.1016/0022-4596(78)90114-7","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008030","9.695","0.003","6.906","0.003","7.522","0.003","90","","94.75","0.05","90","","501.9","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Barium catena-phosphate - γ","","- Ba O6 P2 -","- Ba O6 P2 -","- Ba4 O24 P8 -","4","1","","Coing-Boyat, J.; Averbuch-Pouchot, M. T.; Guitel, J. C.","Structure cristalline du polyphosphate de Baryum γ: Ba(PO~3~)~2~γ","Acta Crystallographica B (24,1968-38,1982)","1978","34","9","2689","2692","10.1107/S0567740878009024","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","189453","2020-10-21","18:00:00",""
"1008031","7.184","0.001","6.79","0.001","7.256","0.001","94.68","0.01","104.97","0.01","88.77","0.01","340.8","","","","","","","","","","","","","4","P -1","-P 1","2","","Strontium hydrogenphosphate - α","","- H O4 P Sr -","- H0.5 O4 P Sr -","- H2 O16 P4 Sr4 -","4","2","","Boudjada, A; Masse, R; Guitel, J C","Structure cristalline de l'orthophosphate monoacide de strontium: SrHPO~4~α: forme triclinique","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1978","34","9","2692","2695","10.1107/S0567740878009036","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1008032","14.02","","9.49","0.01","9.57","0.01","90","","93.12","0.01","90","","1271.4","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diammonium hydrogentris(chromato)arsenate","","- As Cr3 H9 N2 O13 -","- As Cr3 H4.5 N2 O13 -","- As4 Cr12 H18 N8 O52 -","4","1","","Averbuch-Pouchot, M T","Structure du tris(chromato)arsenate de diammonium-hydrogene, (N H~4~)~2~ H Cr~3~ As O~13~: mise en evidence d'un nouvel anion (Cr~3~ As O~13~)^3-^","Acta Crystallographica B (24,1968-38,1982)","1978","34","","3350","3351","10.1107/S0567740878010894","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008033","5.11","0.01","10.3","","6.15","0.01","90","","90","","90","","323.7","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Cobalt uranium oxide (3/2/8)","","- Co3 O8 U2 -","- Co3 O8 U2 -","- Co6 O16 U4 -","2","0.25","","Bacmann, M","Structure cristalline du nouveau compose Co U~2~ O~8~","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1570","1572","10.1107/S0567740873005066","","","","","","0.122","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008034","9.603","0.003","8.713","0.004","5.044","0.003","90","","90","","90","","422","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Tungsten fluoride","","- F6 W -","- F6 W -","- F24 W4 -","4","0.5","","Levy, J H; Taylor, J C; Wilson, P W","The Structures of Fluorides XIII: The Orthorhombic Form of Tungsten Hexafluoride at 193K by Neutron Diffraction","Journal of Solid State Chemistry","1975","15","","360","365","10.1016/0022-4596(75)90292-3","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008035","7.942","0.002","7.942","0.002","4.441","0.002","90","","90","","120","","242.6","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Uranium(III) bromide","","- Br3 U -","- Br3 U -","- Br6 U2 -","2","0.166667","","Levy, J H; Taylor, J C; Wilson, P W","The structure of uranium tribromide by neutron diffraction profile analysis","Journal of the Less-Common Metals","1975","39","","265","270","10.1016/0022-5088(75)90200-3","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008036","4.6964","0.0009","5.8287","0.001","4.8736","0.0007","91.63","0.01","92.44","0.01","82.79","0.01","132.2","","","","","","","","","","","","","3","P -1","-P 1","2","","COPPER TUNGSTATE","","- Cu O4 W -","- Cu O4 W -","- Cu2 O8 W2 -","2","1","","Klein, S; Weitzel, H","Pernod - ein Programm zur Verfeinerung von Kristall-Strukturparametern aus Neutronenbeugungspulverdiagrammen","Journal of Applied Crystallography","1975","8","","54","59","10.1107/S0021889875009521","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008037","9.432","0.008","8.907","0.006","5.22","0.005","72.67","0.01","78.33","0.01","76.09","0.01","402.3","","","","","","","","","","heating at 353 K","","","5","P -1","-P 1","2","","Potassium dizinc hydrogenbis(phosphate) - prepared by heating at 353 K","","- H K O8 P2 Zn2 -","- H0.5 K O8 P2 Zn2 -","- H K2 O16 P4 Zn4 -","2","1","","Averbuch-Pouchot, M T","Structure du monophosphate acide de potassium-zinc. K Zn~2~ H (P O~4~)~2~","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1452","1454","10.1107/S0567740879006695","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008038","8.707","0.002","7.872","0.003","5.939","0.001","86.354","0.006","110.335","","112.241","0.006","352.2","","","","","","","","","","","","","4","P -1","-P 1","2","","Strontium bis(dihydrogenarsenate)","","- As2 H4 O8 Sr -","- As2 H2 O8 Sr -","- As4 H4 O16 Sr2 -","2","1","","Boudjada, A","Structure cristalline du monoarseniate diacide de strontium Sr (H~2~ As O~4~)~2~","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1050","1052","10.1107/S0567740879005550","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008039","7.433","0.003","7.96","0.004","8.038","0.004","115.91","0.05","99.41","0.05","89.31","0.05","421.1","","","","","","","","","","","","","5","P -1","-P 1","2","","Barium hydrogenarsenatodichromate","","- As Ba Cr2 H O10 -","- As Ba Cr2 H2.5 O10 -","- As2 Ba2 Cr4 H5 O20 -","2","1","","Blum, D; Averbuch-Pouchot, M T; Guitel, J C","Un nouvel exemple d'anion du type (X Cr~2~ O~10~) (X=As). Structure de Ba H (As Cr~2~ O~10~)","Acta Crystallographica B (24,1968-38,1982)","1979","35","","726","727","10.1107/S0567740879004556","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008040","7.618","0.003","17.791","0.008","7.354","0.003","90","","99.2","0.05","90","","983.9","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Dipotassium trichromate","","- Cr3 K2 O10 -","- Cr3 K2 O10 -","- Cr12 K8 O40 -","4","1","","Blum, D; Averbuch-Pouchot, M T; Guitel, J C","Structure du tripolychromate de potassium K~2~ Cr~3~ O~10~","Acta Crystallographica B (24,1968-38,1982)","1979","35","","454","456","10.1107/S0567740879003769","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008041","14.08","","14.08","","10.12","","90","","90","","120","","1737.5","","","","","","","","","","","","","3","P 31 1 2","P 31 2 (0 0 4)","151","","Potassium erbium fluoride","","- Er F4 K -","","","18","3","","Aleonard, S; le Fur, Y; Pontonnier, L; Gorius, M F; Roux, M T","Quelques Fluorures Mixtes Terre Rare - Metal Alcalin de Structures derivees de celle de la Fluorine","Annales de Chimie (Paris) (Vol=Year)","1978","1978","","417","427","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1008042","11.51","","11.51","","11.51","","90","","90","","90","","1524.8","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium triyttrium fluoride","","- F10 K Y3 -","","","8","0.0416667","","Aleonard, S; le Fur, Y; Pontonnier, L; Gorius, M F; Roux, M T","Quelques Fluorures Mixtes Terre Rare - Metal Alcalin de Structures derivees de celle de la Fluorine","Annales de Chimie (Paris) (Vol=Year)","1978","1978","","417","427","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1008043","8.07","","8.07","","13.2","","90","","90","","120","","744.5","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Potassium triytterbium fluoride - $-beta","","- F10 K Yb3 -","","","4","0.333333","","Aleonard, S; le Fur, Y; Pontonnier, L; Gorius, M F; Roux, M T","Quelques Fluorures Mixtes Terre Rare - Metal Alcalin de Structures derivees de celle de la Fluorine","Annales de Chimie (Paris) (Vol=Year)","1978","1978","","417","427","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1008044","14.08","","8.137","","28.28","","90","","109.45","","90","","3055.1","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Potassium trierbium fluoride - $-beta","","- Er3 F10 K -","","","16","4","","Aleonard, S; le Fur, Y; Pontonnier, L; Gorius, M F; Roux, M T","Quelques Fluorures Mixtes Terre Rare - Metal Alcalin de Structures derivees de celle de la Fluorine","Annales de Chimie (Paris) (Vol=Year)","1978","1978","","417","427","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1008045","20.9","","8.2","","20.9","","90","","109.5","","90","","3376.4","","","","","","","","","","","","","3","","","","","Potassium trithulium fluoride - $-beta","","- F10 K Tm3 -","","","18","","","Aleonard, S; le Fur, Y; Pontonnier, L; Gorius, M F; Roux, M T","Quelques Fluorures Mixtes Terre Rare - Metal Alcalin de Structures derivees de celle de la Fluorine","Annales de Chimie (Paris) (Vol=Year)","1978","1978","","417","427","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1008046","5.92","0.02","10.334","0.03","4.75","0.02","90","","90","","91.07","","290.5","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","Cobalt phosphate","","- Co3 O8 P2 -","- Co3 O8 P2 -","- Co6 O16 P4 -","2","0.5","","Berthet, G; Joubert, J C; Bertaut, E F","Vacancies ordering in new metastable orthophosphates (Co~3~ ) P~2~ O~8~ and (Mg~3~ ) P~2~ O~8~ with olivin-related structure","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1972","136","","98","105","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008047","4.891","0.001","9.553","0.002","8.786","0.002","90","","90","","90","","410.5","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Iron vanadium oxide hydroxide *","","- Fe H0.5 O6 V2 -","- Fe H0.5 O6 V2 -","- Fe4 H2 O24 V8 -","4","1","","Muller, J; Joubert, J C; Marezio, M","Synthese et structure cristalline d'un nouvel oxyde mixte Fe V~2~ O~6~ H~0.5~. Relation avec la structure type Diaspore","Journal of Solid State Chemistry","1979","27","","367","382","10.1016/0022-4596(79)90179-8","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008048","5.5942","0.0006","7.1216","0.0008","12.46","0.001","95.05","0.01","95.19","0.01","108.76","0.01","464.5","","","","","","","","","","","","","2","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","Heptaoxotetratitanate","","- O7 Ti4 -","- O7 Ti4 -","- O28 Ti16 -","4","","","Hodeau, J L; Marezio, M","Structural aspects of the metal-insulator transition in (Ti~0.9975~ V~0.0025~)~4~ O~7~","Journal of Solid State Chemistry","1979","29","","47","62","10.1016/0022-4596(79)90208-1","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008049","5.5943","0.0005","7.1297","0.0007","12.484","0.001","95","0.01","95.426","0.009","109.023","0.009","464.9","","","","","","","","","","","","","2","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","Heptaoxotetratitanate","","- O7 Ti4 -","- O7 Ti4 -","- O28 Ti16 -","4","","","Hodeau, J L; Marezio, M","Structural aspects of the metal-insulator transition in (Ti~0.9975~ V~0.0025~)~4~ O~7~","Journal of Solid State Chemistry","1979","29","","47","62","10.1016/0022-4596(79)90208-1","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008050","5.6235","0.0003","7.1984","0.0004","12.4018","0.0005","95.056","0.002","95.55","0.005","109.676","0.005","466.6","","","","","","","","","","","","","2","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","Heptaoxotetratitanate","","- O7 Ti4 -","- O7 Ti4 -","- O28 Ti16 -","4","","","Hodeau, J L; Marezio, M","Structural aspects of the metal-insulator transition in (Ti~0.9975~ V~0.0025~)~4~ O~7~","Journal of Solid State Chemistry","1979","29","","47","62","10.1016/0022-4596(79)90208-1","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008051","9.4907","0.0002","9.4907","0.0002","9.4907","0.0002","90","","90","","90","","854.9","","","","","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","Tribismuth gallium oxide diantimonate","","- Bi3 Ga O11 Sb2 -","- Bi3 Ga0.9999 O11 Sb2.0001 -","- Bi12 Ga3.9996 O44 Sb8.0004 -","4","0.166667","","Sleight, A W; Bouchard, R J","A new cubic K Sb O~3~ derivative structure with interpenetrating networks. Crystal structure of Bi~3~ Ga Sb~2~ O~11~","Inorganic Chemistry","1973","12","","2314","2316","10.1021/ic50128a019","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008052","7.1321","0.0002","15.0468","0.0003","14.1771","0.0004","90","","99.05","0.003","90","","1502.5","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Trimercury bis(tetrachloroaluminate)","","- Al2 Cl8 Hg3 -","- Al2 Cl8 Hg3 -","- Al8 Cl32 Hg12 -","4","1","","Ellison, R D; Levy, H A; Fung, K W","Crystal and molecular structure of trimercury chloroaluminate, Hg~3~ (Al Cl~4~)~2~","Inorganic Chemistry","1972","11","","833","836","10.1021/ic50110a036","","","","","","0.082","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008053","3.885","","3.885","","12.784","","90","","90","","90","","193","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Lanthanum strontium iron(III) oxide","","- Fe La O4 Sr -","- Fe La O4 Sr -","- Fe2 La2 O8 Sr2 -","2","0.0625","","Soubeyroux, J L; Courbin, P; Fournes, L; Fruchart, D; le Flem, G","La phase Sr La Fe O~4~: Structures cristalline et magnetique","Journal of Solid State Chemistry","1980","31","","313","320","10.1016/0022-4596(80)90093-6","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008054","3.878","","3.878","","12.723","","90","","90","","90","","191.3","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Lanthanum strontium iron(III) oxide","","- Fe La O4 Sr -","- Fe La O4 Sr -","- Fe2 La2 O8 Sr2 -","2","0.0625","","Soubeyroux, J L; Courbin, P; Fournes, L; Fruchart, D; le Flem, G","La phase Sr La Fe O~4~: Structures cristalline et magnetique","Journal of Solid State Chemistry","1980","31","","313","320","10.1016/0022-4596(80)90093-6","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008055","11.844","","11.844","","11.844","","90","","90","","90","","1661.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium trieuropium fluoride","","- Eu3 F10 Rb -","- Eu3 F10 Rb -","- Eu24 F80 Rb8 -","8","0.0416667","","Arbus, A; Fournier, M T; Picaud, B; Boulon, G; Vedrine, A","Structure Cristalline du Compose Rb Eu~3~ F~10~","Journal of Solid State Chemistry","1980","31","","11","21","10.1016/0022-4596(80)90002-X","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008056","5.834","","5.834","","3.351","","90","","90","","120","","98.8","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Nickel cobalt phosphide (1/1/1)","","- Co Ni P -","- Co Ni P -","- Co3 Ni3 P3 -","3","0.25","","Senateur, J P; Rouault, A; L'Heritier, P; Krumbuegel-Nyland, A; Fruchart, R; Fruchart, D; Convert, P; Roudaut, E","La selectivite des substitutions dans les phases MM'P etude de l'ordre par diffraction neutronique dans Ni Co P","Materials Research Bulletin","1973","8","","229","238","10.1016/0025-5408(73)90176-1","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008057","5.407","0.001","5.407","0.001","7.703","0.003","90","","90","","120","","195","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","Barium calcium tetrairon(III) oxide","","- Ba Ca Fe4 O8 -","- Ba Ca Fe4 O8 -","- Ba Ca Fe4 O8 -","1","0.0833333","","Herrmann, D; Bacmann, M","Structure nucleaire de Ba Ca Fe~4~ O~8~","Materials Research Bulletin","1971","6","","725","736","10.1016/0025-5408(71)90106-1","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008058","6.2821","0.0007","3.6491","0.0004","10.844","0.001","90","","92.24","0.01","90","","248.4","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Nickel dirhodium(III) selenide","","- Ni Rh2 Se4 -","- Ni Rh2 Se4 -","- Ni2 Rh4 Se8 -","2","0.25","","Bouchard, R J","The crystal structure and transport properties of Ni Rh~2~ Se~4~","Inorganic Chemistry","1969","8","","850","856","10.1021/ic50074a030","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008059","7.911","0.002","7.861","0.001","18.092","0.003","90","","90","","90","","1125.1","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Potassium antimony trifluoride nitrate","","- F3 K N O3 Sb -","- F3 K N O3 Sb -","- F24 K8 N8 O24 Sb8 -","8","1","","Bourgault, M; Ducourant, M B; Mascherpa Corral, D; Fourcade, R","Structure cristalline et moleculaire de K Sb F~3~ N O~3~","Journal of Fluorine Chemistry","1981","17","","215","224","10.1016/S0022-1139(00)81284-1","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008060","12.57","","12.57","","12.57","","90","","90","","90","","1986.1","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Dialuminium tricalcium hydroxide","","- Al2 Ca3 H12 O12 -","- Al2 Ca3 H12 O12 -","- Al16 Ca24 H96 O96 -","8","0.0833333","","Cohen-Addad, C; Ducros, P; Bertaut, E F","Etude de la substitution du groupement Si O~4~ par (O H)~4~ dans les composes Al~2~ Ca~3~ (O H)~12~ et Al~2~ Ca~3~ (Si O~4~)~2.16~ (O H)~3.36~ de type grenat","Acta Crystallographica (1,1948-23,1967)","1967","23","","220","230","10.1107/S0365110X67002518","","","","","","","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008061","11.935","0.004","14.287","0.004","11.732","0.004","90","","97.23","0.02","90","","1984.6","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","14-Carbonyltrio-dimanganeseiron","","- C14 Fe Mn2 O14 -","- C14 Fe Mn2 O14 -","- C56 Fe4 Mn8 O56 -","4","0.5","","Agron, P A; Ellison, R D; Levy, H A","The crystal structure of dimanganese iron carbonyl, Mn~2~ Fe (C O)~14~","Acta Crystallographica (1,1948-23,1967)","1967","23","","1079","1086","10.1107/S0365110X67004281","","","","","","0.0247","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008062","6.7283","0.0005","6.7283","","5.6263","0.0005","90","","90","","120","","220.6","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Barium vanadium(IV) sulfide","","- Ba S3 V -","- Ba S3 V -","- Ba2 S6 V2 -","2","0.0833333","","Ghedira, M; Chenavas, J; Sayetat, F; Marezio, M; Massenet, O; Mercier, J","Structural aspects of the hexagonal to orthorhombic transition in stoichiometric Ba V S~3~","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1491","1496","10.1107/S0567740881006420","","","","","","0.011","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008063","3.777","0.003","3.777","","6.498","0.006","90","","90","","120","","80.3","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Titanium telluride","","- Te2 Ti -","- Te2 Ti -","- Te2 Ti -","1","0.0833333","","Arnaud, Y; Chevreton, M","Etude comparative des composes Ti X~2~ (X= S, Se, Te). Structures de Ti Te~2~ et Ti Se Te","Journal of Solid State Chemistry","1981","39","","230","239","10.1016/0022-4596(81)90336-4","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008064","3.651","0.003","3.651","","6.317","0.006","90","","90","","120","","72.9","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Titanium selenide telluride","","- Se Te Ti -","- Se Te Ti -","- Se Te Ti -","1","0.0833333","","Arnaud, Y; Chevreton, M","Etude comparative des composes Ti X~2~ (X= S, Se, Te). Structures de Ti Te~2~ et Ti Se Te","Journal of Solid State Chemistry","1981","39","","230","239","10.1016/0022-4596(81)90336-4","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008065","6.64","","7.33","","6.4","","90","","92.67","","90","","311.2","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Xenon difluoride xenon tetrafluoride","","- F6 Xe2 -","- F6 Xe2 -","- F12 Xe4 -","2","0.5","","Burns, J H; Ellison, R D; Levy, H A","The crystal structure of the molecular addition compound xenon difluoride-xenon tetrafluoride","Journal of Physical Chemistry","1963","67","","1569","1570","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008066","4.888","","11.937","","5.11","","90","","90","","90","","298.2","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Uranium(VI) iron oxide","","- Fe O4 U -","- Fe O4 U -","- Fe4 O16 U4 -","4","0.5","","Bachmann, M; Bertaut, E F","Structure du nouveau compose U Fe O~4~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","257","258","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008067","4.871","","11.787","","5.053","","90","","90","","90","","290.1","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Chromium uranium(V) oxide","","- Cr O4 U -","- Cr O4 U -","- Cr4 O16 U4 -","4","0.5","","Bacmann, M; Bertaut, E F","Structure de U Cr O~4~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1964","87","","275","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008068","5.805","0.002","5.805","","7.556","","90","","90","","120","","220.5","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Rubidium sodium tetrafluoroberyllate (1.5/.5/1)","","- Be2 F8 Na Rb3 -","- Be2 F8 Na Rb3 -","- Be2 F8 Na Rb3 -","1","0.0833333","","Pontonnier, L; Caillet, M; Aleonard, S","Etude des systemes Me(I)~2~ Be F~4~ - Na~2~ Be F~4~","Materials Research Bulletin","1972","7","","799","812","10.1016/0025-5408(72)90130-4","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:55",""
"1008069","4.871","","11.787","","5.053","","90","","90","","90","","290.1","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Chromium uranium(V) oxide","","- Cr O4 U -","- Cr O4 U -","- Cr4 O16 U4 -","4","0.5","","Bacmann, M; Bertaut, E F; Bassi, G","Parametres atomiques et structure magnetique de U Cr O~4~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1965","88","","214","218","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008070","4.49","","5.55","","4.88","","90","","90","","90","","121.6","","","","","","","","","","prepared at 70kbar and 1273K","prepared at 70kbar","","3","P -1","-P 1","2","","Iron vanadium oxide (.8/1.3/4) - prepared at 70kbar and 1273K","","- Fe0.75 O4 V1.25 -","- Fe0.75 O4 V1.25 -","- Fe1.5 O8 V2.5 -","2","1","","Muller, J; Joubert, J C; Marezio, M","Etude des phases du systeme Fe V O~4~ - V O~2~, obtenues par synthese hydrothermale a 70 kbar et 1273k","Journal of Solid State Chemistry","1976","18","","357","362","10.1016/0022-4596(76)90118-3","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008071","13.967","0.006","8.472","0.004","7.51","0.003","90","","90.54","0.05","90","","888.6","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Uranium(IV) iodide","","- I4 U -","- I4 U -","- I16 U4 -","4","0.5","","Levy, J H; Taylor, J C; Waugh, A B","Crystal Structure of Uranium(IV) Tetraiodide by X-ray and Neutron Diffraction","Inorganic Chemistry","1980","19","","672","674","10.1021/ic50205a019","","","","","","0.129","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008072","5.947","0.001","3.504","0.002","6.726","0.002","90","","90","","90","","140.2","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cobalt manganese phosphide (1/1/1)","","- Co Mn P -","- Co Mn P -","- Co4 Mn4 P4 -","4","0.5","","Fruchart, D; Bacmann, M; Chaudouet, P","Structure du Phosphure de Cobalt et de Manganese","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2759","2761","10.1107/S0567740880009910","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008073","3.97","","3.544","","12.84","","90","","90","","90","","180.7","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Distrontium palladium oxide","","- O3 Pd Sr2 -","- O3 Pd Sr2 -","- O6 Pd2 Sr4 -","2","0.125","","Muller, O; Roy, R","Synthesis and Crystal Chemistry of Some New Complex Palladium Oxides","Advances in Chemistry Series","1971","98","","28","38","","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008074","5.826","","5.826","","5.826","","90","","90","","90","","197.7","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Strontium tripalladium oxide","","- O4 Pd3 Sr -","- O4 Pd3 Sr -","- O8 Pd6 Sr2 -","2","0.0416667","","Muller, O; Roy, R","Synthesis and Crystal Chemistry of Some New Complex Palladium Oxides","Advances in Chemistry Series","1971","98","","28","38","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008075","5.747","","5.747","","5.747","","90","","90","","90","","189.8","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Calcium tripalladium oxide","","- Ca O4 Pd3 -","- Ca O4 Pd3 -","- Ca2 O8 Pd6 -","2","0.0416667","","Muller, O; Roy, R","Synthesis and Crystal Chemistry of Some New Complex Palladium Oxides","Advances in Chemistry Series","1971","98","","28","38","","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008076","5.742","","5.742","","5.742","","90","","90","","90","","189.3","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Cadmium tripalladium oxide","","- Cd O4 Pd3 -","- Cd O4 Pd3 -","- Cd2 O8 Pd6 -","2","0.0416667","","Muller, O; Roy, R","Synthesis and Crystal Chemistry of Some New Complex Palladium Oxides","Advances in Chemistry Series","1971","98","","28","38","","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008077","9.727","","9.976","","3.136","","90","","90","","90","","304.3","","","","","","","","","","","","","3","B b m m","-B 2 2b","63","","Dititanium(III) calcium oxide","","- Ca O4 Ti2 -","- Ca O4 Ti2 -","- Ca4 O16 Ti8 -","4","0.25","","Bertaut, E F; Blum, P","Determination de la Structure de Ti~2~ Ca O~4~ par la Methode Self- Consistante d'Approche Directe","Acta Crystallographica (1,1948-23,1967)","1956","9","","121","126","10.1107/S0365110X56003132","","","","","","0.16","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008078","3.874","","3.874","","6.332","","90","","90","","120","","82.3","","","","","","","","","","","","","3","P -3","-P 3","147","","Europium copper(I) sulfide (.7/2/2)","","- Cu1.9998 Er0.6666 S1.9998 -","- Cu2 Er0.6667 S2 -","- Cu2 Er0.6667 S2 -","1","0.166667","","Ballestracci, R; Bertaut, E F","Etude cristallographique de nouveaux sulfures de terres rares et de cuivre(I)","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1965","88","","575","579","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008079","5.94","","3.42","","11.14","","90","","91.05","","90","","226.3","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Dichromium nickel tetrasulfide","","- Cr2 Ni S4 -","- Cr2 Ni S4 -","- Cr4 Ni2 S8 -","2","0.25","","Andron, B; Bertaut, E F","Etude par Diffraction neutronique de Cr~2~ Ni S~4~","Journal de Physique (Paris)","1966","27","","619","626","10.1051/jphys:01966002709-10061900","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008080","16.915","","7.954","","5.233","","90","","90","","90","","704.1","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","Titanium germanium (6/5)","","- Ge5 Ti6 -","- Ge5 Ti6 -","- Ge20 Ti24 -","4","0.25","","Spinat, P; Fruchart, R","Structure des phase binaires V~6~ Si~5~ et Ti~6~ Ge~5~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1970","93","","23","36","","","","","","","0.082","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008081","13.807","","13.807","","9.429","","90","","90","","120","","1556.7","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Heptasodium hexazirconium fluoride","","- F31 Na7 Zr6 -","- F31 Na7 Zr6 -","- F93 Na21 Zr18 -","3","0.166667","","Burns, J H; Ellison, R D; Levy, H A","The crystal structure of Na~7~ Zr~6~ F~31~","Acta Crystallographica B (24,1968-38,1982)","1968","24","","230","237","10.1107/S0567740868002013","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008082","5.482","","8.237","","6.147","","90","","90","","90","","277.6","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","NICKEL CHROMATE","","- Cr Ni O4 -","- Cr Ni O4 -","- Cr4 Ni4 O16 -","4","0.25","","Muller, O; White, W B; Roy, R","X-ray diffraction study of the chromates of nickel, magnesium and cadmium","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1969","130","","112","120","","","","","","","0.112","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008083","5.497","","8.368","","6.147","","90","","90","","90","","282.8","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Magnesium chromate - $-alpha","","- Cr Mg O4 -","- Cr Mg O4 -","- Cr4 Mg4 O16 -","4","0.25","","Muller, O; White, W B; Roy, R","X-ray diffraction study of the chromates of nickel, magnesium and cadmium","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1969","130","","112","120","","","","","","","0.126","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008084","5.678","","8.723","","6.926","","90","","90","","90","","343","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cadmium chromate - $-alpha","","- Cd Cr O4 -","- Cd Cr O4 -","- Cd4 Cr4 O16 -","4","0.25","","Muller, O; White, W B; Roy, R","X-ray diffraction study of the chromates of nickel, magnesium and cadmium","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1969","130","","112","120","","","","","","","0.209","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008085","10.397","","9.675","","7.064","","90","","101.52","","90","","696.3","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cadmium chromate - $-beta","","- Cd Cr O4 -","- Cd Cr O4 -","- Cd8 Cr8 O32 -","8","1","","Muller, O; White, W B; Roy, R","X-ray diffraction study of the chromates of nickel, magnesium and cadmium","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1969","130","","112","120","","","","","","","0.207","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008086","9.95","","9.16","","6.759","","90","","103.68","","90","","598.6","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Magnesium chromate - $-beta","","- Cr Mg O4 -","- Cr Mg O4 -","- Cr8 Mg8 O32 -","8","1","","Muller, O; White, W B; Roy, R","X-ray diffraction study of the chromates of nickel, magnesium and cadmium","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1969","130","","112","120","","","","","","","0.157","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008087","6.64","0.01","7.33","0.01","6.4","0.01","90","","92.67","0.08","90","","311.2","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Xenon(II) xenon(IV) fluoride","","- F6 Xe2 -","- F6 Xe2 -","- F12 Xe4 -","2","0.5","","Burns, J. H.; Ellison, R. D.; Levy, H. A.","The crystal structure of the molecular addition compound xenon difluoride - xenon tetrafluoride","Acta Crystallographica (1,1948-23,1967)","1965","18","1","11","16","10.1107/S0365110X65000038","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1008088","3.9335","","3.9335","","20.853","","90","","90","","90","","322.6","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","BARIUM DILANTHANUM DIIRON(III) OXIDE","","- Ba Fe2 La2 O7 -","- Ba0.999 Fe2 La2.001 O7 -","- Ba1.998 Fe4 La4.002 O14 -","2","0.0625","","Samaras, D; Collomb, A; Joubert, J C","Determination des structures de deux ferrite mixtes nouveaux de formule Ba La~2~ Fe~2~ O~7~ et Sr Tb~2~ Fe~2~ O~7~","Journal of Solid State Chemistry","1973","7","","337","348","10.1016/0022-4596(73)90142-4","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008089","5.227","0.003","5.227","0.003","8.802","0.004","90","","90","","120","","208.3","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","BARIUM DIALUMINIUM OXIDE","","- Al2 Ba O4 -","- Al2 Ba O4 -","- Al4 Ba2 O8 -","2","0.166667","","Do Dinh, C; Bertaut, C","Parametres atomiques de Ba Al~2~ O~4~ et etudes des solutions solides Ba Fe~x~ Al~2-x~ O~4~ et Ba Ga~x~ Al~2-x~ O~4~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1965","88","","413","416","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008090","6.63","0.01","13.36","0.02","14.43","0.02","90","","90","","90","","1278.2","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tris(dibromophosphazene)","","- Br6 N3 P3 -","- Br6 N3 P3 -","- Br24 N12 P12 -","4","0.5","","de Santis, P; Giglio, E; Ripamonti, A","The crystal structure of trimeric phosphonitrilic bromide.","Journal of Inorganic and Nuclear Chemistry","1962","24","","469","474","10.1016/0022-1902(62)80232-2","","","","","","0.21","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008091","5.326","","5.602","","7.635","","90","","90","","90","","227.8","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Terbium iron(III) oxide","","- Fe O3 Tb -","- Fe O3 Tb -","- Fe4 O12 Tb4 -","4","0.5","","Bertaut, E F; Chappert, J; Mareschal, J; Rebouillat, J P; Sivardiere, J","Structures magnetiques de Tb Fe O~3~","Solid State Communications","1967","5","","293","298","10.1016/0038-1098(67)90276-1","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008092","7.166","","7.166","","6.281","","90","","90","","90","","322.5","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Terbium chromate(V)","","- Cr O4 Tb -","- Cr O4 Tb -","- Cr4 O16 Tb4 -","4","0.125","","Buisson, G; Tcheou, F; Sayetat, F; Scheunemann, K","Crystallographic and magnetic properties of Tb Cr O~4~ at low temperature (X-Ray and neutron experiments)","Solid State Communications","1976","18","","871","875","10.1016/0038-1098(76)90226-X","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008093","6.17","0.003","6.17","0.003","8.564","0.003","90","","90","","90","","326","","","","","","","","","","","","","3","P 43 2 2","P 4cw 2c","95","","Dimanganese titanium oxide","","- Mn2 O4 Ti -","- Mn2 O4 Ti -","- Mn8 O16 Ti4 -","4","0.5","","Bertaut, E F; Vincent, H","Etude par diffraction neutronique de la forme ordonnee de l' orthotitanate de manganese - structure cristalline et structure magnetique","Solid State Communications","1968","6","","269","275","10.1016/0038-1098(68)90102-6","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008094","7.734","0.003","15.531","0.006","21.376","0.008","90","","90","","90.1","0.01","2567.6","","","","","","","","","","","","","5","B 1 1 2/b","-B 2b","15","","Dicaesium lead hexanitrocuprate - γ","","- Cs2 Cu N6 O12 Pb -","- Cs2 Cu N6 O12 Pb -","- Cs16 Cu8 N48 O96 Pb8 -","8","1","","Klein, S.; Reinen, D.","The Structure of the Low-Temperature γ-Modification of Cs~2~PbCu(NO~2~)~6~: A Powder Neutron Diffraction Study at 160 K","Journal of Solid State Chemistry","1980","32","","311","319","10.1016/S0022-4596(80)80025-9","","","","","","","","","","","","","","","","","","","","","has coordinates","189454","2020-10-21","18:00:00",""
"1008095","5.939","0.002","5.939","0.002","5.939","0.002","90","","90","","90","","209.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead fluoride - Bi-doped","","- Bi0.05 F2.05 Pb0.95 -","- Bi0.05 F2.05 Pb0.95 -","- Bi0.2 F8.2 Pb3.8 -","4","0.0208333","","Lucat, C; Portier, J; Reau, J M; Hagenmueller, P; Soubeyroux, J L","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Bi~x~ F~2+x~: Correlations entre structure et conductivite ionique","Journal of Solid State Chemistry","1980","32","","279","287","10.1016/S0022-4596(80)80021-1","","","","","","0.0167","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008096","5.932","0.002","5.932","0.002","5.932","0.002","90","","90","","90","","208.7","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead bismuth fluoride (0.9/0.1/2.1)","","- Bi0.1 F2.1 Pb0.9 -","- Bi0.1 F2.1008 Pb0.9 -","- Bi0.4 F8.4032 Pb3.6 -","4","0.0208333","","Lucat, C; Portier, J; Reau, J M; Hagenmueller, P; Soubeyroux, J L","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Bi~x~ F~2+x~: Correlations entre structure et conductivite ionique","Journal of Solid State Chemistry","1980","32","","279","287","10.1016/S0022-4596(80)80021-1","","","","","","0.0175","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008097","5.926","0.002","5.926","0.002","5.926","0.002","90","","90","","90","","208.1","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead bismuth fluoride (0.9/0.1/2.1)","","- Bi0.15 F2.15 Pb0.85 -","- Bi0.15 F2.15 Pb0.85 -","- Bi0.6 F8.6 Pb3.4 -","4","0.0208333","","Lucat, C; Portier, J; Reau, J M; Hagenmueller, P; Soubeyroux, J L","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Bi~x~ F~2+x~: Correlations entre structure et conductivite ionique","Journal of Solid State Chemistry","1980","32","","279","287","10.1016/S0022-4596(80)80021-1","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008098","5.919","0.002","5.919","0.002","5.919","0.002","90","","90","","90","","207.4","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead bismuth fluoride (0.8/0.2/2.2)","","- Bi0.25 F2.25 Pb0.75 -","- Bi0.25 F2.2508 Pb0.75 -","- Bi F9.0032 Pb3 -","4","0.0208333","","Lucat, C; Portier, J; Reau, J M; Hagenmueller, P; Soubeyroux, J L","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Bi~x~ F~2+x~: Correlations entre structure et conductivite ionique","Journal of Solid State Chemistry","1980","32","","279","287","10.1016/S0022-4596(80)80021-1","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008099","5.913","0.002","5.913","0.002","5.913","0.002","90","","90","","90","","206.7","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead bismuth fluoride (0.7/0.3/2.3)","","- Bi0.3 F2.3 Pb0.7 -","- Bi0.3 F2.3 Pb0.7 -","- Bi1.2 F9.2 Pb2.8 -","4","0.0208333","","Lucat, C; Portier, J; Reau, J M; Hagenmueller, P; Soubeyroux, J L","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Bi~x~ F~2+x~: Correlations entre structure et conductivite ionique","Journal of Solid State Chemistry","1980","32","","279","287","10.1016/S0022-4596(80)80021-1","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008100","5.905","0.002","5.905","0.002","5.905","0.002","90","","90","","90","","205.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead bismuth fluoride (0.6/0.4/2.4)","","- Bi0.4 F2.4 Pb0.6 -","- Bi0.4 F2.4 Pb0.6 -","- Bi1.6 F9.6 Pb2.4 -","4","0.0208333","","Lucat, C; Portier, J; Reau, J M; Hagenmueller, P; Soubeyroux, J L","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Bi~x~ F~2+x~: Correlations entre structure et conductivite ionique","Journal of Solid State Chemistry","1980","32","","279","287","10.1016/S0022-4596(80)80021-1","","","","","","0.0311","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008101","5.894","0.002","5.894","0.002","5.894","0.002","90","","90","","90","","204.8","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead bismuth fluoride (0.5/0.5/2.5)","","- Bi0.5 F2.5 Pb0.5 -","- Bi0.5 F2.5004 Pb0.5 -","- Bi2 F10.0016 Pb2 -","4","0.0208333","","Lucat, C; Portier, J; Reau, J M; Hagenmueller, P; Soubeyroux, J L","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Bi~x~ F~2+x~: Correlations entre structure et conductivite ionique","Journal of Solid State Chemistry","1980","32","","279","287","10.1016/S0022-4596(80)80021-1","","","","","","0.0495","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008102","7.687","0.001","8.049","0.001","8.06","0.001","116.25","0.01","108.21","0.01","84.14","0.01","424.5","","","","","","","","","","","","","5","P -1","-P 1","2","","Ammonium zinc trihydrogenbis(phosphate) hydrate","","- H9 N O9 P2 Zn -","- H18.5 N O9 P2 Zn -","- H37 N2 O18 P4 Zn2 -","2","1","","Boudjada, A; Tranqui, D; Guitel, J C","Structure d'un Orthophosphate Acide Mixte de Zinc Ammonium Monohydrate: Zn (N H~4~) H~3~ (P O~4~)~2~ (H~2~ O)","Acta Crystallographica B (24,1968-38,1982)","1980","36","","1176","1178","10.1107/S0567740880005511","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008103","6.7296","0.0006","10.2792","0.0007","5.1916","0.0005","100.26","0.01","113.73","0.01","71.94","0.01","312","","","","","","","","","","","","","4","P -1","-P 1","2","","Lithium yttrium molybdate","","- Li Mo2 O8 Y -","- Li Mo2 O8 Y -","- Li2 Mo4 O16 Y2 -","2","1","","le Page, Y; Strobel, P","Structure of Lithium Yttrium Bismolybdate(VI)","Acta Crystallographica B (24,1968-38,1982)","1980","36","","1919","1920","10.1107/S0567740880007467","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008104","5.524","","8.308","","6.234","","90","","90","","90","","286.1","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cobalt chromate","","- Co Cr O4 -","- Co Cr O4 -","- Co4 Cr4 O16 -","4","0.25","","Pernet, M; Quezel, G; Coing-Boyat, J; Bertaut, E F","Structures magnetiques des chromates de cobalt et de nickel","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1969","92","","264","273","","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008105","5.484","","8.22","","6.127","","90","","90","","90","","276.2","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nickel chromate","","- Cr Ni O4 -","- Cr Ni O4 -","- Cr4 Ni4 O16 -","4","0.25","","Pernet, M; Quezel, G; Coing-Boyat, J; Bertaut, E F","Structures magnetiques des chromates de cobalt et de nickel","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1969","92","","264","273","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008106","10.198","","8.035","","7.63","","90","","90","","90","","625.2","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Molybdenum manganese silicide carbide (1/4/1/1)","","- C Mn4 Mo Si -","- C Mn4 Mo Si -","- C8 Mn32 Mo8 Si8 -","8","1","","Spinat, P; Fruchart, R; Kabbani, M; Herpin, P","Structure de Mn~5~ Si C","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1970","93","","171","184","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1008107","10.198","","8.035","","7.63","","90","","90","","90","","625.2","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Manganese silicide carbide (5/1/1)","","- C Mn5 Si -","- C Mn5 Si -","- C8 Mn40 Si8 -","8","1","","Spinat, P; Fruchart, R; Kabbani, M; Herpin, P","Structure de Mn~5~ Si C","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1970","93","","171","184","","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1008108","11.297","","12.993","","7.839","","90","","101.5","","90","","1127.5","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diammonium manganese catena-phosphate","","- H8 Mn N2 O12 P4 -","- H8 Mn N2 O12 P4 -","- H32 Mn4 N8 O48 P16 -","4","1","","Duc Tran Qui; Tordjman, I; Averbuch, M T; Bassi, G","Structure cristalline du polyphosphate de manganese-ammonium","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1970","93","","413","420","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008109","12.796","","7.454","","6.034","","90","","90","","90","","575.5","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Manganese tetrathiogermanate","","- Ge Mn2 S4 -","- Ge Mn2 S4 -","- Ge4 Mn8 S16 -","4","0.5","","Duc Tran Qui; Vincent, H; Bertaut, E F; Qui Vu Van","Etude par Diffraction Neutronique de la Structure Nucleaire et Magnetique de l'Orthothiogermanate de Manganese","Solid State Communications","1969","7","","641","645","10.1016/0038-1098(69)90583-3","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008110","3.896","","3.896","","3.896","","90","","90","","90","","59.1","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Gallium manganese carbide (1/3/1)","","- C Ga Mn3 -","- C Ga Mn3 -","- C Ga Mn3 -","1","0.0208333","","Fruchart, D; Bertaut, E F; Sayetat, F; Nasr Eddine, M; Fruchart, R; Senateur, J P","Structure Magnetique de Mn~3~ Ga C","Solid State Communications","1970","8","","91","99","10.1016/0038-1098(70)90579-X","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1008111","9.2","","5.82","","7.45","","90","","90","","90","","398.9","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium chlorate(VII)","","- Cl H4 N O4 -","- Cl H4 N O4 -","- Cl4 H16 N4 O16 -","4","0.5","","Smith, H G; Levy, H A","Neutron Diffraction Study of Ammonium Perchlorate","Acta Crystallographica (1,1948-23,1967)","1962","15","","1201","1206","10.1107/S0365110X62003205","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008112","6.142","0.006","3.437","0.004","11.55","0.01","90","","91.5","0.1","90","","243.7","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","NICKEL DIVANADIUM(III) SELENIDE","","- Ni Se4 V2 -","- Ni Se4 V2 -","- Ni2 Se8 V4 -","2","0.25","","Bouchard, R J; Robinson, W T; Wold, A","Structure and Properties of Nickel Vanadium Selenide, Ni V~2~ Ye~4~","Inorganic Chemistry","1966","5","","977","980","10.1021/ic50040a005","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008113","7.08","","7.08","","3.978","","90","","90","","90","","199.4","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","Uranium boride (1/4)","","- B4 U -","- B4 U -","- B16 U4 -","4","0.25","","Blum, P; Bertaut, F","Contribution a l'Etude des Borures a Teneur Elevee en Bore","Acta Crystallographica (1,1948-23,1967)","1954","7","","81","86","10.1107/S0365110X54000151","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008114","4.151","","4.151","","4.151","","90","","90","","90","","71.5","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Sodium thorium boride (.77/.23/6)","","- B6 Na0.77 Th0.23 -","- B6 Na0.77 Th0.23 -","- B6 Na0.77 Th0.23 -","1","0.0208333","","Blum, P; Bertaut, F","Contribution a l'Etude des Borures a Teneur Elevee en Bore","Acta Crystallographica (1,1948-23,1967)","1954","7","","81","86","10.1107/S0365110X54000151","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008115","7.468","","7.468","","7.468","","90","","90","","90","","416.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Uranium boride (1/12)","","- B12 U -","- B12 U -","- B48 U4 -","4","0.0208333","","Blum, P; Bertaut, F","Contribution a l'Etude des Borures a Teneur Elevee en Bore","Acta Crystallographica (1,1948-23,1967)","1954","7","","81","86","10.1107/S0365110X54000151","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008117","8.714","0.001","8.714","0.001","8.714","0.001","90","","90","","90","","661.7","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","Rhenium arsenide (3/7)","","- As7 Re3 -","- As7 Re3 -","- As28 Re12 -","4","0.0416667","","Klein, M; Schnering, H G von","Untersuchungen an Re~3~ As~7~","Journal of the Less-Common Metals","1966","11","","298","299","10.1016/0022-5088(66)90021-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008118","5.64","0.01","13.37","0.02","3.78","0.01","90","","90","","90","","285","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Zirconium arsenide telluride (3.9/2.8/5.1)","","- As2.79 Te5.1 Zr3.88 -","- As2.8 Te5.12 Zr3.88 -","- As2.8 Te5.12 Zr3.88 -","1","0.0625","","Mosset, A; Jeannin, Y","Sur un Compose Ternaire Orthorhombique Forme Entre le Zirconium, L'arsenic et le Tellure","Journal of the Less-Common Metals","1972","26","","285","292","10.1016/0022-5088(72)90048-3","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008119","2.934","","2.934","","5.194","","90","","90","","90","","44.7","","","","","","","","","","","","","3","P 42/m m c","-P 4c 2","131","","Copper platinum(II) oxide (.8/.2/1)","","- Cu0.8 O Pt0.2 -","- Cu0.8 O Pt0.2 -","- Cu1.6 O2 Pt0.4 -","2","0.125","","Muller, O; Roy, R","Two new ternary copper-platinum oxides","Journal of the Less-Common Metals","1969","19","","209","214","10.1016/0022-5088(69)90097-6","","","","","","0.201","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008120","18.18","0.01","11.505","0.007","5.66","0.003","90","","90","","90","","1183.9","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Sodium antimony trifluoride nitrate hydrate","","- F3 H2 N Na O4 Sb -","- F3 H2 N Na O4 Sb -","- F24 H16 N8 Na8 O32 Sb8 -","8","1","","Bourgault, M; Ducourant, B; Mascherpa Corral, D; Fourcade, R","Structure cristalline de Na Sb F~3~ (N O~3~) (H~2~ O). Etude de la liaison hydrogene O-H-X (X=Cl, Br, (N O~3~) )","Journal of Fluorine Chemistry","1981","17","","305","315","10.1016/S0022-1139(00)81777-7","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","186636","2020-10-21","18:00:00",""
"1008121","10.209","0.003","9.387","0.003","6.564","0.002","100.52","0.05","94.35","0.05","98.85","0.04","607.6","","","","","","","","","","","","","3","P -1","-P 1","2","","Iron(III) vanadium oxide (6.5/11.5/35)","","- Fe6.5 O35 V11.5 -","- Fe6.5 O35 V11.5 -","- Fe6.5 O35 V11.5 -","1","0.5","","Grey, I E; Anne, M; Collomb, A; Muller, J; Marezio, M","The Crystal Structure of a New Mixed Oxide of Iron and Vanadium, (Fe V)~18~ O~35~","Journal of Solid State Chemistry","1981","37","","219","227","10.1016/0022-4596(81)90087-6","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008122","9.225","0.002","5.632","0.001","19.379","0.0004","90","","103.14","","90","","980.5","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium sulfate bis(antimony fluoride)","","- F6 K2 O4 S Sb2 -","- F6 K2 O4 S Sb2 -","- F24 K8 O16 S4 Sb8 -","4","1","","Bourgault, M; Ducourant, B; Bonnet, B; Fourcade, R","Structure cristalline de K~2~ S O~4~ (Sb F~3~)~2~","Journal of Solid State Chemistry","1981","36","","183","189","10.1016/0022-4596(81)90155-9","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008123","19.98","0.01","8.152","0.003","15.089","0.007","90","","122.32","0.03","90","","2076.9","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(urea) antimony tetrafluoride oxide","","- C2 H8 F4 N4 O3 Sb2 -","- C2 H8 F4 N4 O3 Sb2 -","- C16 H64 F32 N32 O24 Sb16 -","8","1","","Bourgault, M; Fourcade, R; Mascherpa, G","Mise en evidence de l'entite Sb~2~ F~4~ O dans un compose d'addition moleculaire avec l'uree etude structurale de ((N H~2~)~2~ C O)~2~ Sb~2~ F~4~ O","Journal of Solid State Chemistry","1981","36","","214","220","10.1016/0022-4596(81)90159-6","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1008124","5.58","","14.5","","5.34","","90","","90","","90","","432.1","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Diiron(III) dialuminium tetracalcium oxide","","- Al2 Ca4 Fe2 O10 -","- Al2 Ca4 Fe2 O10 -","- Al4 Ca8 Fe4 O20 -","2","0.25","","Bertaut, E F; Blum, P; Sagnieres, A","Structure du Ferrite Bicalcique et de la Brownmillerite","Acta Crystallographica (1,1948-23,1967)","1959","12","","149","159","10.1107/S0365110X59000433","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008125","3.787","","3.787","","12.496","","90","","90","","90","","179.2","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Strontium tetraoxomanganate(IV) - $-beta","","- Mn O4 Sr2 -","- Mn O4 Sr2 -","- Mn2 O8 Sr4 -","2","0.0625","","Bouloux, J C; Soubeyroux, J L; le Flem, G; Hagenmueller, P","Bidimensional Magnetic Properties of $-beta- Sr~2~ Mn O~4~","Journal of Solid State Chemistry","1981","38","","34","39","10.1016/0022-4596(81)90469-2","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008127","4","","4","","4","","90","","90","","90","","64","","","","","","","","","","","","","3","P -4 3 m","P -4 2 3","215","","Tetradeuterioammonium bromide - IV","","- Br D4 N -","- Br D4 N -","- Br D4 N -","1","0.0416667","","Levy, H A; Peterson, S W","Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases","Journal of the American Chemical Society","1953","75","","1536","1542","10.1021/ja01103a006","","","","","","","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008128","4.06","","4.06","","4.06","","90","","90","","90","","66.9","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Tetradeuterioammonium bromide - II","","- Br D4 N -","- Br D4 N -","- Br D4 N -","1","0.0208333","","Levy, H A; Peterson, S W","Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases","Journal of the American Chemical Society","1953","75","","1536","1542","10.1021/ja01103a006","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008129","5.826","","5.826","","4.136","","90","","90","","90","","140.4","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Tetradeuterioammonium bromide - III","","- Br D4 N -","- Br D4 N -","- Br2 D8 N2 -","2","0.125","","Levy, H A; Peterson, S W","Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases","Journal of the American Chemical Society","1953","75","","1536","1542","10.1021/ja01103a006","","","","","","","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008130","5.609","0.002","5.609","0.002","12.991","0.002","90","","90","","90","","408.7","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Potassium teraoxoruthenate(VII)","","- K O4 Ru -","- K O4 Ru -","- K4 O16 Ru4 -","4","0.25","","Silverman, M D; Levy, H A","Crystal Structure of Potassium Perruthenate, K Ru O~4~","Journal of the American Chemical Society","1954","76","","3317","3319","10.1021/ja01641a072","","","","","","0.096","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008131","6.647","","6.984","","6.75","","90","","90","","90","","313.4","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Manganese uranate","","- Mn O4 U -","- Mn O4 U -","- Mn4 O16 U4 -","4","0.25","","Bacmann, M; Bertaut, E F","Parametres atomiques et structure magnetique de Mn U O~4~","Journal de Physique et du Radium","1966","27","","726","734","","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008132","6.497","","6.952","","6.497","","90","","90","","90","","293.5","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Cobalt uranate","","- Co O4 U -","- Co O4 U -","- Co4 O16 U4 -","4","0.25","","Bertaut, E F; Delapalme, A; Forrat, F; Pauthenet, R","Etude des uranates de cobalt et de manganese","Journal de Physique et du Radium","1962","23","","477","485","10.1051/jphysrad:01962002308-9047700","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008133","7.344","","7.344","","6.428","","90","","90","","90","","346.7","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Praseodymium(II) chromate","","- Cr O4 Pr -","- Cr O4 Pr -","- Cr4 O16 Pr4 -","4","0.125","","Buisson, G; Bertaut, F; Mareschal, J","Etude cristallographique des composes T Cr O~4~ (T= terre rare ou Y)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1964","259","","411","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008134","7.311","","7.311","","6.402","","90","","90","","90","","342.2","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Neodymium(II) chromate","","- Cr Nd O4 -","- Cr Nd O4 -","- Cr4 Nd4 O16 -","4","0.125","","Buisson, G; Bertaut, F; Mareschal, J","Etude cristallographique des composes T Cr O~4~ (T= terre rare ou Y)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1964","259","","411","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008135","7.223","","7.223","","6.33","","90","","90","","90","","330.2","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Europium(II) chromate","","- Cr Eu O4 -","- Cr Eu O4 -","- Cr4 Eu4 O16 -","4","0.125","","Buisson, G; Bertaut, F; Mareschal, J","Etude cristallographique des composes T Cr O~4~ (T= terre rare ou Y)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1964","259","","411","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008136","7.204","","7.204","","6.315","","90","","90","","90","","327.7","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Gadolinium(II) chromate","","- Cr Gd O4 -","- Cr Gd O4 -","- Cr4 Gd4 O16 -","4","0.125","","Buisson, G; Bertaut, F; Mareschal, J","Etude cristallographique des composes T Cr O~4~ (T= terre rare ou Y)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1964","259","","411","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008137","7.17","","7.17","","6.294","","90","","90","","90","","323.6","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Terbium(II) chromate","","- Cr O4 Tb -","- Cr O4 Tb -","- Cr4 O16 Tb4 -","4","0.125","","Buisson, G; Bertaut, F; Mareschal, J","Etude cristallographique des composes T Cr O~4~ (T= terre rare ou Y)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1964","259","","411","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008138","7.143","","7.143","","6.274","","90","","90","","90","","320.1","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Dysprosium(II) chromate","","- Cr Dy O4 -","- Cr Dy O4 -","- Cr4 Dy4 O16 -","4","0.125","","Buisson, G; Bertaut, F; Mareschal, J","Etude cristallographique des composes T Cr O~4~ (T= terre rare ou Y)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1964","259","","411","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008139","7.12","","7.12","","6.255","","90","","90","","90","","317.1","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Holmium(II) chromate","","- Cr Ho O4 -","- Cr Ho O4 -","- Cr4 Ho4 O16 -","4","0.125","","Buisson, G; Bertaut, F; Mareschal, J","Etude cristallographique des composes T Cr O~4~ (T= terre rare ou Y)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1964","259","","411","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008140","7.093","","7.093","","6.23","","90","","90","","90","","313.4","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Erbium(II) chromate","","- Cr Er O4 -","- Cr Er O4 -","- Cr4 Er4 O16 -","4","0.125","","Buisson, G; Bertaut, F; Mareschal, J","Etude cristallographique des composes T Cr O~4~ (T= terre rare ou Y)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1964","259","","411","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008141","7.058","","7.058","","6.216","","90","","90","","90","","309.7","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Ytterbium(II) chromate","","- Cr O4 Yb -","- Cr O4 Yb -","- Cr4 O16 Yb4 -","4","0.125","","Buisson, G; Bertaut, F; Mareschal, J","Etude cristallographique des composes T Cr O~4~(T = terre rare ou Y)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1964","259","","411","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008142","7.027","","7.027","","6.2","","90","","90","","90","","306.1","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Lutetium(II) chromate","","- Cr Lu O4 -","- Cr Lu O4 -","- Cr4 Lu4 O16 -","4","0.125","","Biusson, G; Bertaut, F; Mareschal, J","Etude cristallographique des composes T Cr O~4~ (T= terre rare ou Y)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1964","259","","411","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008143","7.112","","7.112","","6.251","","90","","90","","90","","316.2","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Yttrium(II) chromate","","- Cr O4 Y -","- Cr O4 Y -","- Cr4 O16 Y4 -","4","0.125","","Buisson, G; Bertaut, F; Mareschal, J","Etude cristallographique des composes T Cr O~4~ (T= terre rare ou Y)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1964","259","","411","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008146","10.66","","9.2","","3.01","","90","","90","","90","","295.2","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Calcium divanadium(III) oxide","","- Ca O4 V2 -","- Ca O4 V2 -","- Ca4 O16 V8 -","4","0.5","","Bertaut, F; Blum, P; Magnano, G","Structure des vanadite, chromite et ferrite monocalciques.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1955","241","","757","759","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008147","12.44","","12.44","","12.44","","90","","90","","90","","1925.1","","","","","","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","Pentairon(III) trigadolinium oxide","","- Fe5 Gd3 O12 -","- Fe5 Gd3 O12 -","- Fe40 Gd24 O96 -","8","0.0833333","","Bertaut, F; Forrat, F","Structure des ferrites ferrimagnetiques des terres rares.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1956","242","","382","383","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008148","5.365","","5.365","","5.365","","90","","90","","90","","154.4","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Cobalt disilicide *","","- Co Si2 -","- Co Si2 -","- Co4 Si8 -","4","0.0208333","","Bertaut, F; Blum, P","Structure de disiliciure de cobalt.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1950","231","","626","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008149","5.385","","9.815","","12.289","","90","","99.53","","90","","640.6","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Ruthenium(V) fluoride","","- F5 Ru -","- F5 Ru -","- F40 Ru8 -","8","2","","Darriet, J; Soubeyroux, J L; Touhara, H; Tressaud, A; Hagenmueller, P","Interactions magnetiques intra- et interclusters dans les pentafluorures Ru F~5~ Et Os F~5~","Materials Research Bulletin","1982","17","","315","324","10.1016/0025-5408(82)90079-4","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008150","5.403","","9.866","","12.336","","90","","99.13","","90","","649.3","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Osmium(V) fluoride","","- F5 Os -","- F5 Os -","- F40 Os8 -","8","2","","Darriet, J; Soubeyroux, J L; Touhara, H; Tressaud, A; Hagenmueller, P","Interactions magnetiques intra- et interclusters dans les pentafluorures Ru F~5~ Et Os F~5~","Materials Research Bulletin","1982","17","","315","324","10.1016/0025-5408(82)90079-4","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008151","7.897","0.002","7.897","0.002","6.506","0.001","90","","90","","90","","405.7","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Caesium tetrafluorotitanate(III)","","- Cs F4 Ti -","- Cs F4 Ti -","- Cs4 F16 Ti4 -","4","0.25","","Sabatier, R; Vasson, A M; Vasson, A; Lethuillier, P; Soubeyroux, J L; Chevalier, R; Cousseins, J C","Structural and magnetic studies of cesium fluorotitanate (Cs Ti F~4~)","Materials Research Bulletin","1982","17","","369","377","10.1016/0025-5408(82)90087-3","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008152","5.95","","5.95","","5.95","","27.7","","27.7","","27.7","","40.2","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Cobalt(III) copper(I) oxide","","- Co Cu O2 -","- Co Cu O2 -","- Co Cu O2 -","1","0.0833333","","Bertaut, F; Delorme, C","Le systeme Co-Cu-O.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1954","238","","1829","1830","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008153","9.727","","9.976","","3.136","","90","","90","","90","","304.3","","","","","","","","","","","","","3","B b m m","-B 2 2b","63","","Calcium dititanium(III) oxide","","- Ca O4 Ti2 -","- Ca O4 Ti2 -","- Ca4 O16 Ti8 -","4","0.25","","Bertaut, F; Blum, P","Determination de la structure de Ti~2~ Ca O~4~ par la methode statistique","Journal de Physique et du Radium","1956","17","","517","518","10.1051/jphysrad:01956001707051700","","","","","","0.16","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008154","5.263","","5.52","","7.552","","90","","90","","90","","219.4","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Dysprosium chromium oxide","","- Cr Dy O3 -","- Cr Dy O3 -","- Cr4 Dy4 O12 -","4","0.5","","Bertaut, E F; Mareschal, J","Structure Magnetique de Dy Cr O~3~","Journal de Physique (Paris)","1968","29","","67","73","10.1051/jphys:0196800290106700","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008155","10.97","","11.37","","3.93","","90","","90","","90","","490.2","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Dilanthanum dioxide titanate","","- La2 O5 Ti -","- La2 O5 Ti -","- La8 O20 Ti4 -","4","0.5","","Guillen, M; Bertaut, E F","Determination de la structure de La~2~ Ti O~5~ aux rayons X et aux neutrons","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie B","1966","262","","962","965","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008156","4.315","","4.315","","6.99","","90","","90","","90","","130.1","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Xenon(II) fluoride","","- F2 Xe -","- F2 Xe -","- F4 Xe2 -","2","0.0625","","Levy, H A; Agron, P A","The Crystal and Molecular Structure of Xenon Difluoride by Neutron Diffraction","Journal of the American Chemical Society","1963","85","","241","242","10.1021/ja00885a037","","","","","","0.097","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008157","12.57","","12.57","","12.57","","90","","90","","90","","1986.1","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Tricalcium dialuminium hydroxide","","- Al2 Ca3 H12 O12 -","- Al2 Ca3 H12 O12 -","- Al16 Ca24 H96 O96 -","8","0.0833333","","Cohen-Addad, P D; Ducros, P; Durif-Varambon, A; Bertaut, E F; Delapalme, A","Etude de la Position des Atomes d'Hydrogene dans l'Hydrogenat Al~2~ O~3~ (Ca O)~3~ (H~2~ O)~6~","Solid State Communications","1963","1","","85","87","10.1016/0038-1098(63)90040-1","","","","","","","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008159","5.223","","5.516","","7.519","","90","","90","","90","","216.6","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Erbium chromium oxide","","- Cr Er O3 -","- Cr Er O3 -","- Cr4 Er4 O12 -","4","0.5","","Bertaut, E F; Mareschal, J","Etude de la Structure Magnetique des Chromites d'Erbium et de Neodyme par Diffraction Neutronique","Solid State Communications","1967","5","","93","97","10.1016/0038-1098(67)90001-4","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008160","5.425","","5.478","","7.694","","90","","90","","90","","228.7","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Neodymium chromium oxide","","- Cr Nd O3 -","- Cr Nd O3 -","- Cr4 Nd4 O12 -","4","0.5","","Bertaut, E F; Mareschal, J","Etude de la Structure Magnetique des Chromites d'Erbium et de Neodyme par Diffraction Neutronique","Solid State Communications","1967","5","","93","97","10.1016/0038-1098(67)90001-4","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008161","3.02","","3.02","","14.3","","90","","90","","120","","112.9","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Rhodium(III) lithium oxide","","- Li O2 Rh -","- Li O2 Rh -","- Li3 O6 Rh3 -","3","0.0833333","","Bertaut, E F; Dulac, J","Sur l'isomorphisme d'oxydes ternaires de chrome et de rhodium trivalents","Journal of Physics and Chemistry of Solids","1961","21","","118","119","10.1016/0022-3697(61)90220-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008162","3.075","","3.075","","17.165","","90","","90","","120","","140.6","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Rhodium(III) copper oxide","","- Cu O2 Rh -","- Cu O2 Rh -","- Cu3 O6 Rh3 -","3","0.0833333","","Bertaut, E F; Dulac, J","Sur l'isomorphisme d'oxydes ternaires de chrome et de rhodium trivalents","Journal of Physics and Chemistry of Solids","1961","21","","118","119","10.1016/0022-3697(61)90220-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008163","7.46","0.001","6.191","0.001","9.348","0.001","90","","116.63","0.01","90","","385.9","","","","","","","","","","","","","3","A 1 2 1","A 2y","5","","Trilead vanadate - α","","- O8 Pb3 V2 -","- O8 Pb3 V2 -","- O16 Pb6 V4 -","2","0.5","","Garnier, P.; Calvarin, G.; Berar, J. F.; Weigel, D.","Etude des Phases Ferroelastiques de Pb~3~V~2~O~8~: Determination de la Maille Cristalline de la Phase α Ferroelectrique Basse Temperature","Materials Research Bulletin","1984","19","4","407","414","10.1016/0025-5408(84)90099-0","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","200138","2020-10-21","18:00:00",""
"1008164","7.514","0.001","6.107","0.001","9.526","0.001","90","","115.2","0.01","90","","395.5","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Trilead vanadate - β","","- O8 Pb3 V2 -","- O8 Pb3 V2 -","- O16 Pb6 V4 -","2","0.5","","Garnier, P.; Calvarin, G.; Berar, J. F.; Weigel, D.","Etude des Phases Ferroelastiques de Pb~3~V~2~O~8~: Determination de la Maille Cristalline de la Phase α Ferroelectrique Basse Temperature","Materials Research Bulletin","1984","19","4","407","414","10.1016/0025-5408(84)90099-0","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","200138","2020-10-21","18:00:00",""
"1008165","12.129","0.003","3.679","0.001","6.547","0.002","90","","106.85","","90","","279.6","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Iron(III) vanadium divanadium(IV)","","- Fe O8 V3 -","- Fe O8 V3 -","- Fe2 O16 V6 -","2","0.25","","Muller, J; Joubert, J C; Marezio, M","Synthese et structure crystalline d'un nouvel oxyde mixte ""Fe V~3~ O~8~"" (Fe~x~ V~1-x~ O~2~; x=approximately 0.25)","Journal of Solid State Chemistry","1979","27","","191","199","10.1016/0022-4596(79)90157-9","","","","","","0.0019","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008166","5.17","","5.17","","6.295","","90","","90","","90","","168.3","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Lithium aluminium oxide - γ","","- Al Li O2 -","- Al Li O2 -","- Al4 Li4 O8 -","4","0.5","","Bertaut, E. F.; Delapalme, A.; Bassi, G.; Durif-Varambon, A.; Joubert, J. C.","Structure de γ-LiAlO~2~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1965","88","","103","108","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","189455","2020-10-21","18:00:00",""
"1008168","6.19","0.002","6.19","0.002","9.015","0.006","90","","90","","120","","299.1","","","","","","","","","","","","","4","P 31 1 2","P 31 2 (0 0 4)","151","","Silver hydrogenphosphate","","- Ag2 H O4 P -","- Ag2 H O4 P -","- Ag6 H3 O12 P3 -","3","0.5","","Tordjman, I; Boudjada, A; Guitel, J C; Masse, R","Structure de l'Hydrogenophosphate D'Argent","Acta Crystallographica B (24,1968-38,1982)","1978","34","","3723","3725","10.1107/S0567740878011966","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008169","16.31","0.02","16.67","0.02","9.474","0.005","90","","95.53","0.05","90","","2563.9","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Barium dichromate - α","","- Ba Cr2 O7 -","- Ba Cr2 O7 -","- Ba16 Cr32 O112 -","16","2","","Blum, D.; Averbuch-Pouchot, M. T.; Guitel, J. C.","Structure du Dichromate de Baryum, Form α","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1979","35","11","2685","2687","10.1107/S0567740879010189","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008170","5.205","0.001","5.205","0.001","13.236","0.002","90","","90","","120","","310.5","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Dimagnesium nickel","","- Mg2 Ni -","- Mg2 Ni -","- Mg12 Ni6 -","6","0.5","","Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B","Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide Mg~2~ Ni H~x~ (x=0.30)","Materials Research Bulletin","1984","19","","895","904","10.1016/0025-5408(84)90052-7","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008171","5.205","0.001","5.205","0.001","13.236","0.002","90","","90","","120","","310.5","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Dimagnesium nickel","","- Mg2 Ni -","- Mg2 Ni -","- Mg12 Ni6 -","6","0.5","","Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B","Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide Mg~2~ Ni H~x~ (x=0.30)","Materials Research Bulletin","1984","19","","895","904","10.1016/0025-5408(84)90052-7","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008172","5.256","","5.256","","13.435","","90","","90","","120","","321.4","","","","","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","Deuterium magnesium nickel (0.3/2/1) - $-alpha","","- D0.3 Mg2 Ni -","- D0.345 Mg2 Ni -","- D2.07 Mg12 Ni6 -","6","0.5","","Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B","Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide Mg~2~ Ni H~x~ (x=0.30)","Materials Research Bulletin","1984","19","","895","904","10.1016/0025-5408(84)90052-7","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008173","9.712","0.007","11.98","0.008","14.9","0.01","90","","106.02","0.01","90","","1666.3","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Rubidium tetrachromatophosphate","","- Cr4 O16 P Rb3 -","","","4","1","","Averbuch-Pouchot, M T","Crystal data for Rb~3~ Cr~4~ P O~16~ and Rb~3~ Cr~4~ As O~16~","Zeitschrift fuer Kristallographie (149,1979-)","1981","155","","315","317","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1008174","9.804","0.006","11.96","0.01","14.92","0.01","90","","105.91","0.01","90","","1682.4","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Rubidium tetrachromatoarsenate","","- As Cr4 O16 Rb3 -","","","4","1","","Averbuch-Pouchot, M T","Crystal data for Rb~3~ Cr~4~ P O~16~ and Rb~3~ Cr~4~ As O~16~","Zeitschrift fuer Kristallographie (149,1979-)","1981","155","","315","317","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1008175","10.53","","10.44","","6.9","","90","","90","","90","","758.5","","","","","","","","","","","","","4","F d d 2 S","","43","","Potassium dihydrogen phosphate","","- H2 K O4 P -","- H2 K O4 P -","- H16 K8 O32 P8 -","8","","","Levy, H A; Peterson, S W","Neutron Diffraction Study of the Ferroelectric Modification of Potassium Dihydrogen Phosphate","Physical Review (1,1893-132,1963/141,1966-188,1969)","1954","93","","1120","1121","","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","277832","2022-09-14","15:07:16",""
"1008176","14.258","0.003","22.686","0.004","13.503","0.003","90","","90","","90","","4367.6","","","","","","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","Copper(I) 1,2dithiooxalicacidamide chloride hydrate","","- C3 H6.9 Cl Cu N3 O0.45 S3 -","- C3 H6.9 Cl Cu N3 O0.45 S3 -","- C48 H110.4 Cl16 Cu16 N48 O7.2 S48 -","16","1","","Mosset, A; Abboudi, M; Galy, J","Synthese, structure moleculaire et cristalline d'un rubeanate de cuivre(I): Cu Cl (C~2~ N~2~ S~2~ H~4~)~1.5~ (H~2~ O)~0.45~","Zeitschrift fuer Kristallographie (149,1979-)","1983","164","","171","180","","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1008177","15.576","0.003","6.923","0.003","11.416","0.003","90","","90","","90","","1231","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Copper(I) 1,2dithiooxalicacidamide chloride","","- C2 H4 Cl Cu N2 S2 -","- C2 H4 Cl Cu N2 S2 -","- C16 H32 Cl8 Cu8 N16 S16 -","8","1","","Mosset, A; Abboudi, M; Galy, J","Etude structurale, par diffraction des rayons X, du rubeanate de cuivre(I): Cu Cl (C~2~ N~2~ S~2~ H~4~)","Zeitschrift fuer Kristallographie (149,1979-)","1983","164","","181","188","","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1008178","12.301","","7.102","","11.826","","90","","90.33","","90","","1033.1","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cobalt titanium selenide (.6/4/8)","","- Co0.555 Se8 Ti4 -","- Co0.555 Se8 Ti4 -","- Co2.22 Se32 Ti16 -","4","0.5","","Arnaud, Y; Chevreton, M","Etude structurale des composes Fe~0.25~ Ti Se~2~ et Co~0.25~ Ti Se~2~ a cristaux macles. Surstructures et degre d'ordre des lacunes","Journal of Solid State Chemistry","1981","36","","151","160","10.1016/0022-4596(81)90151-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008179","5.1947","0.0005","7.5017","0.0007","11.4367","0.0014","77.7","0.01","89.72","0.01","82.62","0.01","431.7","","","","","","","","","","","","","4","P -1","-P 1","2","","Tricaesium trimanganese(III) tetravanadium oxide","","- Cs3 Mn3 O16 V4 -","- Cs3 Mn3 O16 V4 -","- Cs3 Mn3 O16 V4 -","1","0.5","","le Page, Y; Strobel, P","Crystal Structure of a New Cesium Manganese Vanadium Oxide, Cs~3~ Mn~3~ V~4~ O~16~","Inorganic Chemistry","1982","21","","620","623","10.1021/ic00132a031","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008180","7.391","0.001","7.391","0.001","7.391","0.001","90","","90","","90","","403.7","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","CALCIUM TRICOPPER TETRATITANIUM OXIDE","","- Ca Cu3 O12 Ti4 -","- Ca Cu3 O12 Ti4 -","- Ca2 Cu6 O24 Ti8 -","2","0.0416667","","Bochu, B; Deschizeaux, M N; Joubert, J C; Collomb, A; Chenavas, J; Marezio, M","Synthese et caracterisation d'une serie de titanates Perowskites isotypes de (Ca Cu~3~) (Mn~4~) O~12~","Journal of Solid State Chemistry","1979","29","","291","298","10.1016/0022-4596(79)90235-4","","","","","","0.01","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008181","7.383","0.001","7.383","0.001","7.383","0.001","90","","90","","90","","402.4","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","TERBIUM COPPER TITANIUM OXIDE (0.7/3/4/12)","","- Cu3 O12 Tb0.71 Ti4 -","- Cu3 O12 Tb0.71 Ti4 -","- Cu6 O24 Tb1.42 Ti8 -","2","0.0416667","","Bochu, B; Deschizeaux, M N; Joubert, J C; Collomb, A; Chenavas, J; Marezio, M","Synthese et caracterisation d'une serie de titanates Perowskites isotypes de (Ca Cu~3~) (Mn~4~) O~12~","Journal of Solid State Chemistry","1979","29","","291","298","10.1016/0022-4596(79)90235-4","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008182","16.013","0.004","13.182","0.002","8.435","0.003","90","","90","","90","","1780.5","","","","","","","","","","","","","3","A c a m","-A 2 2ab","64","","Rubidium trilutetium fluoride","","- F10 Lu3 Rb -","- F10 Lu3 Rb -","- F80 Lu24 Rb8 -","8","","","Arbus, A.; Fournier, M. T.; Cousseins, J. C.; Védrine, A.; Chevalier, R.","Structure Cristalline du Composé β-RbLu~3~F~10~","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1982","38","1","75","79","10.1107/S0567740882002088","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1008183","9.716","0.003","7.704","0.003","9.209","0.003","90","","103.73","0.02","90","","669.6","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Copper silver trihydrogenbis(arsenate)","","- Ag As2 Cu H3 O8 -","- Ag As2 Cu H3 O8 -","- Ag4 As8 Cu4 H12 O32 -","4","1","","Boudjada, A; Masse, R; Guitel, J C","Structure Cristalline d'un Orthoarseniate Acide Mixte de Cuivre(II)- Argent: Cu Ag H~3~ (As O~4~)~2~","Acta Crystallographica B (24,1968-38,1982)","1982","38","","710","713","10.1107/S0567740882003926","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008184","13.84","0.01","7.173","0.005","7.443","0.005","90","","93.16","0.01","90","","737.8","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrapotassium di-$-mue-oxo-bis(hydrogensulfatodioxoiodate)","","- H2 I2 K4 O14 S2 -","- H3 I2 K4 O14 S2 -","- H6 I4 K8 O28 S4 -","2","0.5","","Averbuch-Pouchot, M T","Structure cristalline d'un Dihydrogeno-sulphato-iodate de Potassium","Journal of Solid State Chemistry","1982","41","","262","265","10.1016/0022-4596(82)90144-X","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008186","8.735","0.002","20.297","0.006","14.661","0.003","90","","90","","90","","2599.3","","","","","","","","","","","","","2","C c c m","-C 2 2c","66","","THORIUM(III) IODIDE - $-beta","","- I3 Th -","- I3 Th -","- I48 Th16 -","16","1","","Beck, H P; Strobel, C","Th I~3~, ein Janus unter den Verbindungen mit Metall-Metall- Wechselwirkungen","Angewandte Chemie (German Edition)","1982","94","","558","559","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008187","9.601","0.002","11.51","0.002","5.202","0.001","90","","90","","90","","574.9","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","RUBIDIUM DIFLUOROANTIMONY SULFATE","","- F2 O4 Rb S Sb -","- F2 O4 Rb S Sb -","- F8 O16 Rb4 S4 Sb4 -","4","1","","Fourcade, R; Bourgault, M; Bonnet, B; Ducourant, B","Synthese et structure du sulfate double M Sb F~2~ S O~4~ (M = Rb,Cs)","Journal of Solid State Chemistry","1982","43","","81","86","10.1016/0022-4596(82)90217-1","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008188","3.898","","3.898","","6.218","","90","","90","","120","","81.8","","","","","","","","","","","","","3","P -3","-P 3","147","","Erbium copper(I) sulfide (.9/1.3/2)","","- Cu1.3333 Er0.8889 S2 -","- Cu1.3334 Er0.8889 S2 -","- Cu1.3334 Er0.8889 S2 -","1","0.166667","","Ballestracci, R; Bertaut, E F","Etude cristallographique de nouveaux sulfures de terres rares et de cuivre (I)","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1965","88","","575","579","","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008189","4.06","0.02","4.06","0.02","8","0.02","90","","90","","90","","131.9","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","Hydrogen peroxide","","- H2 O2 -","- H2 O2 -","- H8 O8 -","4","0.5","","Busing, William R.; Levy, Henri A.","Crystal and molecular structure of hydrogen peroxide: a neutron-diffraction study","Journal of Chemical Physics","1965","42","9","3054","3059","10.1063/1.1696379","","","","","","","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008190","5.4537","","4.857","","8.1734","","90","","107.367","","90","","206.6","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Lithium sulfate hydrate","","- H2 Li2 O5 S -","- H2 Li2 O5 S -","- H4 Li4 O10 S2 -","2","1","","Smith, H G; Peterson, S W; Levy, H A","Neutron-diffraction study of lithium sulfate monohydrate","Journal of Chemical Physics","1968","48","","5561","5565","10.1063/1.1668257","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008191","5.672","","7.136","","5.377","","90","","90","","90","","217.6","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Sodium dioxoferrate(III) - β","","- Fe Na O2 -","- Fe Na O2 -","- Fe4 Na4 O8 -","4","1","","Bertaut, E. F.; Delapalme, A.; Bassi, G.","Structure magnétique de β-FeNaO~2~ et affinement des positions atomique","Journal de Physique (Paris)","1964","25","5","545","549","10.1051/jphys:01964002505054500","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","200139","2020-10-21","18:00:00",""
"1008192","7.359","0.001","7.359","0.001","7.359","0.001","90","","90","","90","","398.5","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Thorium tricopper dimanganese(III) dimanganese(IV) oxide","","- Cu3 Mn4 O12 Th -","- Cu3 Mn4 O12 Th -","- Cu6 Mn8 O24 Th2 -","2","0.0416667","","Deschizeaux, M N; Loubert, J C; Vegas, A; Collomb, A; Chenavas, J; Marezio, M","Synthetis and crystal structure of (Th Cu~3~) ((Mn~2~)^3+^ (Mn~2~)^4+^) O~12~, a new ferrimagnetic Perovskite-like compound","Journal of Solid State Chemistry","1976","19","","45","51","10.1016/0022-4596(76)90148-1","","","","","","0.011","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008193","10.53","","10.44","","6.9","","90","","90","","90","","758.5","","","","","","","","","","","","","4","F d d 2 S","","43","","Potassium dihydrogen phosphate","","- H2 K O4 P -","- H2 K O4 P -","- H16 K8 O32 P8 -","8","","","Peterson, S W; Levy, H A; Simonsen, S H","Neutron diffraction study of the ferroelectric modification of potassium dihydrogen phosphate","Physical Review (1,1893-132,1963/141,1966-188,1969)","1954","93","","1120","1121","","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","277832","2022-09-14","15:07:16",""
"1008194","10.688","0.002","10.688","0.002","10.688","0.002","90","","90","","90","","1220.9","","","","","","","","","","","","","4","P n -3 n :2","-P 4a 2bc 3","222","","Cadmium tetrayttrium trimolybdenum oxide","","- Cd Mo3 O16 Y4 -","- Cd Mo3 O16 Y4 -","- Cd4 Mo12 O64 Y16 -","4","0.0833333","","Bourdet, J B; Chevalier, R; Fournier, J P; Kohlmuller, R; Omaly, J","A structural study of cadmium yttrium molybdate Cd Y~4~ Mo~3~ O~16~","Acta Crystallographica B (24,1968-38,1982)","1982","38","","2371","2374","10.1107/S0567740882008826","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008195","5.552","0.001","7.126","0.001","32.233","0.006","66.94","0.01","57.08","0.01","108.51","0.02","716","","","","","","","","","","","","","2","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","TITANIUM OXIDE (6/11)","","- O11 Ti6 -","- O11 Ti6 -","- O44 Ti24 -","4","","","le Page, Y; Strobel, P","Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9","Journal of Solid State Chemistry","1982","44","","273","281","10.1016/0022-4596(82)90374-7","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008196","5.537","0.001","7.132","0.001","38.151","0.008","66.7","0.01","57.12","0.01","108.5","0.02","841.4","","","","","","","","","","","","","2","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","TITANIUM OXIDE (7/13)","","- O13 Ti7 -","- O13 Ti7 -","- O52 Ti28 -","4","","","le Page, Y; Strobel, P","Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9","Journal of Solid State Chemistry","1982","44","","273","281","10.1016/0022-4596(82)90374-7","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008197","5.526","0.001","7.133","0.001","44.059","0.006","66.54","0.01","57.18","0.01","108.51","0.01","966.9","","","","","","","","","","","","","2","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","TITANIUM OXIDE (8/15)","","- O15 Ti8 -","- O15 Ti8 -","- O60 Ti32 -","4","","","le Page, Y; Strobel, P","Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9","Journal of Solid State Chemistry","1982","44","","273","281","10.1016/0022-4596(82)90374-7","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008198","5.524","0.001","7.142","0.001","50.03","0.01","66.41","0.01","57.2","0.01","108.53","0.01","1094.7","","","","","","","","","","","","","2","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","TITANIUM OXIDE (9/17)","","- O17 Ti9 -","- O17 Ti9 -","- O68 Ti36 -","4","","","le Page, Y; Strobel, P","Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9","Journal of Solid State Chemistry","1982","44","","273","281","10.1016/0022-4596(82)90374-7","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008199","5.2889","0.0002","9.1872","0.0003","10.026","0.0003","90","","100.348","0.002","90","","479.2","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Lithium trioxostannate","","- Li2 O3 Sn -","- Li1.804 O3 Sn -","- Li14.432 O24 Sn8 -","8","1","","Hodeau, J L; Marezio, M; Santoro, A; Roth, R S","Neutron Profile Refinement of the Structures of Li~2~ Sn O~3~ and Li~2~ Zr O~3~","Journal of Solid State Chemistry","1982","45","","170","179","10.1016/0022-4596(82)90273-0","","","","","","0.0527","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008200","5.4218","0.0002","9.0216","0.0004","5.4187","0.0002","90","","112.709","0.002","90","","244.5","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Lithium zirconate","","- Li2 O3 Zr -","- Li1.82 O3 Zr -","- Li7.28 O12 Zr4 -","4","0.5","","Hodeau, J L; Marezio, M; Santoro, A; Roth, R S","Neutron Profile Refinement of the Structures of Li~2~ Sn O~3~ and Li~2~ Zr O~3~","Journal of Solid State Chemistry","1982","45","","170","179","10.1016/0022-4596(82)90273-0","","","","","","0.0501","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008201","7.517","0.001","11.986","0.002","13.397","0.002","98.29","0.01","105.52","0.01","107.79","0.01","1073.3","","","","","","","","","","","","","2","P -1","-P 1","2","","Titanium oxide (6/11)","","- O11 Ti6 -","- O11 Ti6 -","- O66 Ti36 -","6","3","","le Page, Y; Strobel, P","Structural Chemistry of Magneli Phases Ti~n~O~2n-1~ (4<=n<=9). III.Valence Ordering of Titanium in Ti~6~ O~11~ at 130K","Journal of Solid State Chemistry","1983","47","","6","15","10.1016/0022-4596(83)90034-8","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008202","11.16","","11.16","","17.86","","90","","90","","120","","1926.4","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Hexaammonium cyclo-triphosphate telluric acid","","- H30 N6 O24 P6 Te -","- H30 N6 O24 P6 Te -","- H90 N18 O72 P18 Te3 -","3","0.166667","","Boudjada, N; Boudjada, A; Guitel, J C","Structure du Trimetaphosphate-Tellurate d'Ammonium, 2(N H~4~)~3~ P~3~ O~9~ * Te (O H)~6~","Acta Crystallographica C (39,1983-)","1983","39","","656","658","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008203","11.031","0.0005","11.031","0.0005","11.031","0.0005","90","","90","","90","","1342.3","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Nickel manganese phosphide (16/6/7)","","- Mn6 Ni16 P7 -","- Mn6 Ni16 P7 -","- Mn24 Ni64 P28 -","4","0.0208333","","Chaudouet, P; Madar, R; Fruchart, R","Etude de nouveaux pnictures ternaires de metaux de transition isostructuraux des phases G, Ni~16~ Mn~6~ P~7~, Ni~16~ Mn~6~ As~7~","Materials Research Bulletin","1983","18","","713","719","10.1016/0025-5408(83)90098-3","","","","","","0.093","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008204","8.698","0.002","4.127","0.001","10.412","0.002","90","","90","","90","","373.8","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Antimony selenide iodide","","- I Sb Se -","- I Sb Se -","- I4 Sb4 Se4 -","4","0.5","","Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E; Maurin, M","Sur les Chalcogeno-iodures d'antimoine SbXI (X=S,Se,Te):Structures et spectroscopie Moessbauer de ^121^Sb","Journal of Solid State Chemistry","1983","48","","272","283","10.1016/0022-4596(83)90082-8","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008205","7.57","0.003","7.159","0.003","4.228","0.003","107.22","0.05","106.18","0.04","77.19","0.03","207.8","","","","","","","","","","","","","3","P -1","-P 1","2","","Antimony telluride iodide","","- I Sb Te -","- I Sb Te -","- I2 Sb2 Te2 -","2","1","","Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E; Maurin, M","Sur les Chalcogeno-iodures d'antimoine SbXI (X=S,Se,Te):Structures et spectroscopie Moessbauer de ^121^Sb","Journal of Solid State Chemistry","1983","48","","272","283","10.1016/0022-4596(83)90082-8","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008206","14.22","0.01","6.696","0.003","8.672","0.005","90","","90","","90","","825.7","","","","","","","","","","","","","5","P c 21 n","P -2n -2ac","33","","Potassium iodate telluric acid","","- H6 I K O9 Te -","- H6 I K O9 Te -","- H24 I4 K4 O36 Te4 -","4","1","","Averbuch-Pouchot, M. T.","Crystal Chemistry of Some Addition Compounds of Alkali Iodates with Telluric Acid","Journal of Solid State Chemistry","1983","49","","368","378","10.1016/S0022-4596(83)80015-2","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008207","10.97","0.01","6.916","0.005","6.55","0.004","88.84","0.05","90.81","0.05","104.48","0.05","481","","","","","","","","","","","","","5","P -1","-P 1","2","","Ammonium iodate telluric acid","","- H12 I N O10 Te -","- H12 I N O10 Te -","- H24 I2 N2 O20 Te2 -","2","1","","Averbuch-Pouchot, M T","Crystal Chemistry of Some Addition Compounds of Alkali Iodates with Telluric Acid","Journal of Solid State Chemistry","1983","49","","368","378","10.1016/S0022-4596(83)80015-2","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008208","6.482","0.005","6.482","0.005","25.664","0.008","90","","90","","120","","933.8","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Bis(potassium iodate) telluric acid","","- H6 I2 K2 O12 Te -","- H6 I2 K2 O12 Te -","- H18 I6 K6 O36 Te3 -","3","0.166667","","Averbuch-Pouchot, M T","Crystal Chemistry of Some Addition Compounds of Alkali Iodates with Telluric Acid","Journal of Solid State Chemistry","1983","49","","368","378","10.1016/S0022-4596(83)80015-2","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008209","11.5","0.005","13.877","0.005","7.236","0.005","90","","90","","90","","1154.8","","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","Potassium trifluorobis(nitrato)antimonate(III) nitrate","","- F3 K3 N3 O9 Sb -","- F3 K3 N3 O9 Sb -","- F12 K12 N12 O36 Sb4 -","4","0.5","","Bourgault, M; Ducourant, B; Fourcade, R","Sur un nouveau compose doubleur de frequence, synthese, et structure du nitrate-bis-nitratotrifluoroantimonate de potassium K~2~ Sb F~3~ (N O~3~)~2~ * K N O~3~","Journal of Solid State Chemistry","1983","50","","79","85","10.1016/0022-4596(83)90234-7","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008210","5.843","0.001","5.843","0.001","13.608","0.002","90","","90","","120","","402.3","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium tetrairon(III) dititanium oxide","","- Ba Fe4 O11 Ti2 -","- Ba Fe3.99 O11 Ti2.01 -","- Ba2 Fe7.98 O22 Ti4.02 -","2","0.0833333","","Obradors, X; Collomb, A; Pannetier, J; Isalgue, A; Tejada, J; Joubert, J C","Crystal structure and cationic distribution of Ba Fe~4~ Ti~2~ O~11~ R- type hexagonal ferrite","Materials Research Bulletin","1983","18","","1543","1553","10.1016/0025-5408(83)90196-4","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008211","9.654","0.003","8.776","0.004","5.084","0.003","90","","90","","90","","430.7","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Uranium(VI) hexafluoride","","- F6 U -","- F6 U -","- F24 U4 -","4","0.5","","Levy, J. H.; Taylor, J. C.; Waugh, A. B.","Neutron powder structural studies of U F~6~, Mo F~6~ and W F~6~ at 77 K","Journal of Fluorine Chemistry","1983","23","","29","36","10.1016/S0022-1139(00)81276-2","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","297310","2025-01-14","08:08:35",""
"1008212","9.387","0.003","8.53","0.003","4.953","0.003","90","","90","","90","","396.6","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Molybdenum hexafluoride","","- F6 Mo -","- F6 Mo -","- F24 Mo4 -","4","0.5","","Levy, J. H.; Taylor, J. C.; Waugh, A. B.","Neutron powder structural studies of U F~6~, Mo F~6~ and W F~6~ at 77 K","Journal of Fluorine Chemistry","1983","23","","29","36","10.1016/S0022-1139(00)81276-2","","","","","","","","","","","","","","","","","","","","","has coordinates","297310","2025-01-14","08:08:35",""
"1008213","9.422","0.002","8.569","0.002","4.98","0.002","90","","90","","90","","402.1","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Tungsten hexafluoride","","- F6 W -","- F6 W -","- F24 W4 -","4","0.5","","Levy, J. H.; Taylor, J. C.; Waugh, A. B.","Neutron powder structural studies of U F~6~, Mo F~6~ and W F~6~ at 77 K","Journal of Fluorine Chemistry","1983","23","","29","36","10.1016/S0022-1139(00)81276-2","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","297310","2025-01-14","08:08:35",""
"1008214","8.61","0.005","7.137","0.005","7.108","0.005","96.09","0.05","105.99","0.05","100.49","0.05","407.2","","","","","","","","","","","","","4","P -1","-P 1","2","","Dizinc cyclo-tetraphosphate octahydrate","","- H16 O20 P4 Zn2 -","- H16 O20 P4 Zn2 -","- H16 O20 P4 Zn2 -","1","0.5","","Averbuch-Pouchot, M T","Crystal Structure of Zinc-tetrametaphosphate Octahydrate: Zn~2~ P~4~ O~12~ (H~2~ O)~8~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1983","503","","231","237","10.1002/zaac.19835030825","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008215","5.177","","5.177","","14.168","","90","","90","","120","","328.8","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Cobalt oxoniobate","","- Co4 Nb2 O9 -","- Co4 Nb2 O9 -","- Co8 Nb4 O18 -","2","0.166667","","Bertaut, E F; Corliss, L; Forrat, F; Aleonard, R; Pauthenet, R","Etude de niobates et tantalates de metaux transition bivalents","Journal of Physics and Chemistry of Solids","1961","21","","234","251","10.1016/0022-3697(61)90103-2","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008216","5.335","","5.335","","14.32","","90","","90","","120","","353","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Manganese niobate","","- Mn4 Nb2 O9 -","- Mn4 Nb2 O9 -","- Mn8 Nb4 O18 -","2","0.166667","","Bertaut, E F; Corliss, L; Forrat, F; Aleonard, R; Pauthenet, R","Etude de niobates et tantalates de metaux transition bivalents","Journal of Physics and Chemistry of Solids","1961","21","","234","251","10.1016/0022-3697(61)90103-2","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008217","5.756","0.003","5.756","","5.756","","90","","90","","90","","190.7","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lanthanum oxide fluoride","","- F La O -","- F La O -","- F4 La4 O4 -","4","0.0208333","","Klemm, W; Klein, H A","Lanthanoxyfluorid","Zeitschrift fuer Anorganische und Allgemeine Chemie","1941","248","","167","171","10.1002/zaac.19412480207","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008218","15.43","0.01","5.512","0.005","13.72","0.01","90","","108.53","0.05","90","","1106.4","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Lithium potassium catena-phosphate","","- K Li O6 P2 -","- K Li O6 P2 -","- K8 Li8 O48 P16 -","8","2","","El Horr, N; Bagieu, M; Tordjman, I","Structure d'un polyphosphate mixte de lithium et de potassium, Li K (P O~3~)~2~","Acta Crystallographica C (39,1983-)","1983","39","","1597","1599","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008219","7.2538","0.0007","7.2538","","7.2538","","90","","90","","90","","381.7","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Yttrium copper manganese oxide (1/3/4/12)","","- Cu3 Mn4 O12 Y -","- Cu3 Mn4 O12 Y -","- Cu6 Mn8 O24 Y2 -","2","0.0416667","","Collomb, A; Samaras, D; Buevoz, J L; Levy, J P; Joubert, J C","Synthesis, composition-range and crystal structure of the Perovskite- like ferrimagnet Y Cu~3~ Mn~4~ O~12~","Journal of Magnetism and Magnetic Materials","1983","40","","75","82","10.1016/0304-8853(83)90012-4","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008220","7.275","0.001","7.275","","7.275","","90","","90","","90","","385","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Yttrium copper manganese oxide (1/3/4/12)","","- Cu3 Mn4 O12 Y -","- Cu3 Mn4 O12 Y -","- Cu6 Mn8 O24 Y2 -","2","0.0416667","","Collomb, A; Samaras, D; Buevoz, J L; Levy, J P; Joubert, J C","Synthesis, composition-ranqe and crystal structure of the Perovskite- like ferrimagnet Y Cu~3~ Mn~4~ O~12~","Journal of Magnetism and Magnetic Materials","1983","40","","75","82","10.1016/0304-8853(83)90012-4","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008221","8.333","","5.326","","6.861","","90","","90","","90","","304.5","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Europium(II) sulfate","","- Eu O4 S -","","","4","0.5","","Mayer, I; Levy, E; Glasner, A","The Crystal Structure of Eu S O~4~ and Eu C O~3~","Acta Crystallographica (1,1948-23,1967)","1964","17","","1071","1072","10.1107/S0365110X64002699","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1008222","5.102","","8.422","","6.03","","90","","90","","90","","259.1","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Europium(II) carbonate","","- C Eu O3 -","","","4","0.5","","Mayer, I; Levy, E; Glasner, A","The Crystal Structure of Eu S O~4~ and Eu C O~3~","Acta Crystallographica (1,1948-23,1967)","1964","17","","1071","1072","10.1107/S0365110X64002699","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1008223","8.34","0.02","8.34","0.02","7.96","0.02","90","","90","","90","","553.7","","","","","","","","","","","","from Windschau, near Frain-upon-Thaya, CSSR","5","","","","","Iron magnesium aluminium titanium oxide *","Hoegbomite","- Al16 Fe22 Mg6 O32 Ti -","","","","","","Levy, C M; Sandrea, A","La hoegbomite de frain (tchecoslovaquie)","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1953","76","","430","433","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1008224","11.835","0.003","11.835","0.003","29.991","0.009","90","","90","","120","","3638","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bismuth(I) tetrachloroaluminate","","- Al Bi Cl4 -","","","18","1","","Levy, H A; Agron, P A; Danford, M D; Ellison, R D","Cell dimensions and space group of bismuth(I) chloro-aluminate.","Acta Crystallographica (1,1948-23,1967)","1961","14","","549","550","10.1107/S0365110X61001753","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1008225","10.144","","10.144","","10.144","","90","","90","","90","","1043.8","","","","","","","","","","","","","3","","","","","Diruthenium(IV) diyttrium oxide","","- O7 Ru2 Y2 -","","","","","","Bertaut, F; Forrat, F; Montmory, M C","Pyrochlores de terres rares et du ruthenium.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1959","249","","829","831","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1008226","5.66","","5.66","","22.285","","90","","90","","120","","618.3","","","","","","","","","","","","","3","","","","","Barium dodecaaluminium oxide","","- Al12 Ba O19 -","","","2","","","Bertaut, F; Deschamps, A; Pauthenet, R","Etude de la substitution de Fe par Al, Ga et Cr dans l'hexaferrite de baryum, Ba O, (Fe~2~ O~3~)~6~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1958","246","","2594","2597","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1008227","5.818","","5.818","","23","","90","","90","","120","","674.2","","","","","","","","","","","","","3","","","","","Barium dodecagallium oxide","","- Ba Ga12 O19 -","","","2","","","Bertaut, F; Deschamps, A; Pauthenet, R","Etude de la substitution de Fe par Al, Ga et Cr dans l'hexaferrite de baryum, Ba O, (Fe~2~ O~3~)~6~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1958","246","","2594","2597","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1008228","5.844","","5.844","","22.82","","90","","90","","120","","674.9","","","","","","","","","","","","","4","","","","","Barium tetrairon(III) octachromium oxide","","- Ba Cr8 Fe4 O19 -","","","2","","","Bertaut, F; Deschamps, A; Pauthenet, R","Etude de la substitution de Fe par Al, Ga et Cr dans l'hexaferrite de baryum, Ba O, (Fe~2~ O~3~)~6~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1958","246","","2594","2597","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1008229","5.88","","5.88","","22.971","","90","","90","","120","","687.8","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium lanthanum iron oxide (0.1/0.9/12/19)","","- Ba0.1 Fe12 La0.9 O19 -","","","","","","Deschamps, A; Bertaut, F","Sur la substitution de baryum par une terre rare dans l'hexaferrite Ba O, (Fe~2~ O~3~)~6~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","244","","3069","3072","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1008230","8.21","","8.21","","8.5","","90","","90","","90","","572.9","","","","","","","","","","","","","4","","","","","Germanium cobalt copper oxide (1/1.8/0.2/4)","","- Co1.8 Cu0.2 Ge O4 -","","","","","","Bertaut, F; Delorme, C","Etude des deformations dans quelques spinelles de cuivre.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1954","239","","504","505","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1008231","4.44","","4.44","","10.35","","90","","90","","90","","204","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Yttrium lithium oxide","","- Li O2 Y -","","","1","0.03125","","Bertaut, F; Gondrand, M","Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O~2~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1962","255","","1135","1137","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1008232","4.42","","4.42","","10.2","","90","","90","","90","","199.3","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Erbium lithium oxide","","- Er Li O2 -","","","","","","Bertaut, F; Gondrand, M","Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O~2~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1962","255","","1135","1137","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1008233","4.405","","4.405","","10.15","","90","","90","","90","","197","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Thulium lithium oxide","","- Li O2 Tm -","","","","","","Bertaut, F; Gondrand, M","Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O~2~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1962","255","","1135","1137","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1008234","4.39","","4.39","","10.06","","90","","90","","90","","193.9","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Ytterbium lithium oxide","","- Li O2 Yb -","","","","","","Bertaut, F; Gondrand, M","Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O~2~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1962","255","","1135","1137","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1008235","4.37","","4.37","","9.95","","90","","90","","90","","190","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Lutetium lithium oxide","","- Li Lu O2 -","","","","","","Bertaut, F; Gondrand, M","Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O~2~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1962","255","","1135","1137","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1008236","6.14","","6.19","","6.23","","90","","119.33","","90","","206.4","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Holmium lithium oxide","","- Ho Li O2 -","","","","","","Bertaut, F; Gondrand, M","Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O~2~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1962","255","","1135","1137","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1008237","7.54","0.003","13.06","0.02","7.75","0.003","90","","90","","90","","763.2","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Potassium niobium fluoride (0.3/1/3)","","- F3 K0.3 Nb -","- F3 K0.3 Nb -","- F36 K3.6 Nb12 -","12","1.5","","Masse, R; Aleonard, S; Averbuch-Pouchot, M T","Chemical Preparation and X-ray Structure Determination of K~0.3~ Nb F","Journal of Solid State Chemistry","1984","53","","136","139","10.1016/0022-4596(84)90236-6","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008238","16.718","0.002","7.696","0.001","8.931","0.001","90","","90","","90","","1149.1","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Lithium octaoxotritantalate - H","","- Li O8 Ta3 -","- Li O8 Ta3 -","- Li8 O64 Ta24 -","8","1","","Hodeau, J L; Marezio, M; Santoro, A; Roth, R S","Neutron Diffraction Structure Determination ot the High-temperature Form of Lithium Tritanatalte, H-Li Ta~3~ O~8~","Journal of Solid State Chemistry","1984","51","","275","292","10.1016/0022-4596(84)90344-X","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008239","16.718","0.002","7.696","0.001","8.931","0.001","90","","90","","90","","1149.1","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Lithium tantalum oxide (0.9/3/8) - H","","- Li0.88 O8 Ta3 -","- Li0.875 O8 Ta3 -","- Li7 O64 Ta24 -","8","1","","Hodeau, J L; Marezio, M; Santoro, A; Roth, R S","Neutron Diffraction Structure Determination of the High-Temperature Form of Lithium Tritantalate, H-Li Ta~3~ O~8~","Journal of Solid State Chemistry","1984","51","","275","292","10.1016/0022-4596(84)90344-X","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008240","12.372","0.008","10.438","0.008","8.191","0.005","90","","92.32","0.05","90","","1056.9","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mercury dipotassium dichloride dichromate","","- Cl2 Cr2 Hg K2 O7 -","- Cl2 Cr2 Hg K2 O7 -","- Cl8 Cr8 Hg4 K8 O28 -","4","1","","Averbuch-Pouchot, M T; El-Horr, N; Guitel, J C","Structures of Mercury Dichloride - Dipotassium Dichromate (1/1), Hg Cl~2~ K~2~ Cr~2~ O~7~, and Mercury Dichloride - Diammonium Dichromate (1/1), Hg Cl~2~ ((N H~4~)~2~ Cr~2~ O~7~)","Acta Crystallographica C (39,1983-)","1984","40","","725","728","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008241","14.891","0.005","7.604","0.005","9.62","0.006","90","","96.02","0.05","90","","1083.3","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Mercury diammonium dichloride dichromate","","- Cl2 Cr2 H8 Hg N2 O7 -","- Cl2 Cr2 H8 Hg N2 O7 -","- Cl8 Cr8 H32 Hg4 N8 O28 -","4","1","","Averbuch-Pouchot, M T; El-Horr, N; Guitel, J C","Structures of Mercury Dichloride - Dipotassium Dichromate (1/1), Hg Cl~2~ K~2~ Cr~2~ O~7~, and Mercury Dichloride - Diammonium Dichromate (1/1), Hg Cl~2~ ((N H~4~)~2~ Cr~2~ O~7~)","Acta Crystallographica C (39,1983-)","1984","40","","725","728","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008242","9.74","0.01","9.74","0.01","9.74","0.01","90","","90","","90","","924","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Gallium molybdenum sulfide (1/4/8)","","- Ga Mo4 S8 -","- Ga Mo4 S8 -","- Ga4 Mo16 S32 -","4","0.0416667","","Ben Yaich, H; Jegaden, J C; Potel, M; Chevrel, R; Sergent, M; Berton, A; Chaussy, J; Rastogi, A K; Tournier, R","Nouveaux chalcogenures mixtes Ga Mo~4~ (XX')8 (X=S, Se, Te) a clusters tetraedriques Mo~4~","Journal of Solid State Chemistry","1984","51","","212","217","10.1016/0022-4596(84)90336-0","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008243","10.16","0.01","10.16","0.01","10.16","0.1","90","","90","","90","","1048.8","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Gallium molybdenum selenide (1/4/8)","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga4 Mo16 Se32 -","4","0.0416667","","Ben Yaich, H; Jegaden, J C; Potel, M; Chevrel, R; Sergent, M; Berton, A; Chaussy, J; Rastogi, A K; Tournier, R","Nouveaux chalcogenures mixtes Ga Mo~4~ (XX')8 (X=S, Se, Te) a clusters tetraedriques Mo~4~","Journal of Solid State Chemistry","1984","51","","212","217","10.1016/0022-4596(84)90336-0","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008244","10.62","","10.62","","10.62","","90","","90","","90","","1197.8","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium molybdenum selenide telluride (1/4/4/4)","","- Ga Mo4 Se4 Te4 -","- Ga Mo4 Se4 Te4 -","- Ga4 Mo16 Se16 Te16 -","4","0.0416667","","Ben Yaich, H; Jegaden, J C; Potel, M; Chevrel, R; Sergent, M; Berton, A; Chaussy, J; Rastogi, A K; Tournier, R","Nouveaux chalcogenures mixtes Ga Mo~4~ (XX')8 (X=S, Se, Te) a clusters tetraedriques Mo~4~","Journal of Solid State Chemistry","1984","51","","212","217","10.1016/0022-4596(84)90336-0","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008245","5.329","0.001","5.329","0.001","5.329","0.001","90","","90","","90","","151.3","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","PALLADIUM(II) FLUORIDE","","- F2 Pd -","- F2 Pd -","- F8 Pd4 -","4","0.166667","","Tressaud, A; Soubeyroux, J L; Touhara, H; Demazeau, G; Langlais, F","On a new structural type of fluorine compounds: crystal and magnetic structures of a high pressure form of Pd F~2~","Materials Research Bulletin","1981","16","","207","214","10.1016/0025-5408(81)90083-0","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008246","5.329","0.001","5.329","0.001","5.329","0.001","90","","90","","90","","151.3","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","PALLADIUM FLUORIDE","","- F2 Pd -","- F2 Pd -","- F8 Pd4 -","4","0.333333","","Tressaud, A; Soubeyroux, J L; Touhara, H; Demazeau, G; Langlais, F","On a new structural type of fluorine compounds: crystal and magnetic structures of a high pressure form of Pd F~2~","Materials Research Bulletin","1981","16","","207","214","10.1016/0025-5408(81)90083-0","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008247","8.606","0.003","6.346","0.003","6.811","0.003","90","","94.16","0.01","90","","371","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","COPPER HYDROGENPHOSPHATE HYDRATE","","- Cu H3 O5 P -","- Cu H3 O5 P -","- Cu4 H12 O20 P4 -","4","1","","Boudjada, A","Structure cristalline de l'orthophosphate monoacide de cuivre monohydrate Cu (H P O~4~) (H~2~ O)","Materials Research Bulletin","1980","15","","1083","1090","10.1016/0025-5408(80)90070-7","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008248","7.723","0.005","7.54","0.005","7.482","0.005","90","","101.32","0.05","90","","427.2","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DIAMMONIUM HYDROGENSULFATE DIHYDROGENPHOSPHATE","","- H11 N2 O8 P S -","- H11 N2 O8 P S -","- H22 N4 O16 P2 S2 -","2","0.5","","Averbuch-Pouchot, M T","Hydrogen bonding in (N H~4~) (H S O~4~) (N H~4~) (H~2~ P O~4~)","Materials Research Bulletin","1981","16","","407","411","10.1016/0025-5408(81)90008-8","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008249","3.852","0.001","3.852","0.001","12.39","0.01","90","","90","","90","","183.8","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM MANGANESE OXIDE (1.5/0.5/1/4)","","- La0.5 Mn O4 Sr1.5 -","- La0.5 Mn O4 Sr1.5 -","- La Mn2 O8 Sr3 -","2","0.0625","","Bouloux, J C; Soubeyroux, J L; Daoudi, A; le Flem, G","Proprietes magnetiques de la phase Sr~1.50~ La~0.50~ Mn O~4~","Materials Research Bulletin","1981","16","","855","860","10.1016/0025-5408(81)90160-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008250","3.853","0.001","3.853","0.001","12.39","0.01","90","","90","","90","","183.9","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM MANGANESE OXIDE (1.5/0.5/1/4)","","- La0.5 Mn O4 Sr1.5 -","- La0.5 Mn O4 Sr1.5 -","- La Mn2 O8 Sr3 -","2","0.0625","","Bouloux, J C; Soubeyroux, J L; Daoudi, A; le Flem, G","Proprietes magnetiques de la phase Sr~1.50~ La~0.50~ Mn O~4~","Materials Research Bulletin","1981","16","","855","860","10.1016/0025-5408(81)90160-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008251","3.868","0.001","3.868","0.001","12.45","0.01","90","","90","","90","","186.3","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM MANGANESE OXIDE (1.5/0.5/1/4)","","- La0.5 Mn O4 Sr1.5 -","- La0.5 Mn O4 Sr1.5 -","- La Mn2 O8 Sr3 -","2","0.0625","","Bouloux, J C; Soubeyroux, J L; Daoudi, A; le Flem, G","Proprietes magnetiques de la phase Sr~1.50~ La~0.50~ Mn O~4~","Materials Research Bulletin","1981","16","","855","860","10.1016/0025-5408(81)90160-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008252","11.2824","","11.2824","","11.2824","","90","","90","","90","","1436.2","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","TETRATITANIUM DIIRON OXYGEN","","- Fe2 O Ti4 -","- Fe2 O Ti4 -","- Fe32 O16 Ti64 -","16","0.0833333","","Stioui, C; Fruchart, D; Rouault, A; Fruchart, R; Roudaut, E; Rebiere, J","Absorption d'hydrogene par Ti~4~ Fe~2~ O et diverses phases M~6~O","Materials Research Bulletin","1981","16","","869","876","10.1016/0025-5408(81)90162-8","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008253","11.2824","","11.2824","","11.2824","","90","","90","","90","","1436.2","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Titanium iron oxide deuteride (4/2/0.95/2.2)","","- D2.219 Fe2 O0.95 Ti4 -","- D2.219 Fe2 O0.95 Ti4 -","- D35.504 Fe32 O15.2 Ti64 -","16","0.0833333","","Stioui, C; Fruchart, D; Rouault, A; Fruchart, R; Roudaut, E; Rebiere, J","Absorption d'hydrogene par Ti~4~ Fe~2~ O et diverses phases M~6~O","Materials Research Bulletin","1981","16","","869","876","10.1016/0025-5408(81)90162-8","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008254","4.606","","4.606","","9.063","","90","","90","","90","","192.3","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","MOLYBDENUM DIRHODIUM(III) OXIDE","","- Mo O6 Rh2 -","- Mo O6 Rh2 -","- Mo2 O12 Rh4 -","2","0.125","","Badaud, J P; Fournier, J P; Omaly, J","Chimie minerale.-Preparation et etude de la phase trirutile Mo Rh~2~ O~6~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1977","284","","921","923","","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008255","13.095","0.006","13.095","0.006","5.658","0.002","90","","90","","120","","840.2","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Uranium(VI) oxide tetrafluoride - α","","- F4 O U -","- F4 O U -","- F36 O9 U9 -","9","0.5","","Levy, J. H.; Taylor, J. C.; Wilson, P. W.","The structures of fluorides-XVII: neutron diffraction study of α-uranium oxide tetrafluoride","Journal of Inorganic and Nuclear Chemistry","1977","39","11","1989","1991","10.1016/0022-1902(77)80531-9","","","","","","0.15","","","","","","","","","","","","","","","has coordinates","200139","2020-10-21","18:00:00",""
"1008256","7.449","0.007","10.127","0.014","6.686","0.004","89.25","0.12","117.56","0.04","108.87","0.09","417.5","","","","","","","","","","","","","2","P -1","-P 1","2","","URANIUM(V) PENTABROMIDE","","- Br5 U -","- Br5 U -","- Br10 U2 -","2","1","","Levy, J H; Taylor, J C; Wilson, P W","The crystal structure of uranium pentabromide by powder neutron diffraction","Journal of Inorganic and Nuclear Chemistry","1978","40","","1055","1057","10.1016/0022-1902(78)80507-7","","","","","","0.136","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008257","8.846","0.003","8.378","0.003","7.241","0.003","90","","90","","90","","536.6","","","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Urea antimony(III) fluoride","","- C H4 F3 N2 O Sb -","- C H4 F3 N2 O Sb -","- C4 H16 F12 N8 O4 Sb4 -","4","1","","Bourgault, M; Fourcade, R; Ducourant, B; Mascherpa, G","Structure cristalline de (N H~2~)~2~ C O, Sb F~3~","Revue de Chimie Minerale","1979","16","","151","156","","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1008258","3.796","0.003","3.796","0.003","12.447","0.005","90","","90","","90","","179.4","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM COBALT(III) OXIDE","","- Co La O4 Sr -","- Co La O4 Sr -","- Co2 La2 O8 Sr2 -","2","0.0625","","Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A","Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent","Nouveau Journal de Chimie","1979","3","","171","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008259","3.799","0.003","3.799","0.003","12.454","0.005","90","","90","","90","","179.7","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM COBALT(III) OXIDE","","- Co La O4 Sr -","- Co La O4 Sr -","- Co2 La2 O8 Sr2 -","2","0.0625","","Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A","Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent","Nouveau Journal de Chimie","1979","3","","171","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008260","3.806","0.003","3.806","0.003","12.5","0.005","90","","90","","90","","181.1","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM COBALT(III) OXIDE","","- Co La O4 Sr -","- Co La O4 Sr -","- Co2 La2 O8 Sr2 -","2","0.0625","","Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A","Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent","Nouveau Journal de Chimie","1979","3","","171","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008261","3.807","0.003","3.807","0.003","12.52","0.005","90","","90","","90","","181.5","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM COBALT(III) OXIDE","","- Co La O4 Sr -","- Co La O4 Sr -","- Co2 La2 O8 Sr2 -","2","0.0625","","Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A","Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent","Nouveau Journal de Chimie","1979","3","","171","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008262","3.811","0.003","3.811","0.003","12.554","0.005","90","","90","","90","","182.3","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM(III) COBALT(III) oxide","","- Co La O4 Sr -","- Co La O4 Sr -","- Co2 La2 O8 Sr2 -","2","0.0625","","Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A","Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent","Nouveau Journal de Chimie","1979","3","","171","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008263","3.817","0.003","3.817","0.003","12.6","0.005","90","","90","","90","","183.6","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM TETRAOXOCOBALTATE","","- Co La O4 Sr -","- Co La O4 Sr -","- Co2 La2 O8 Sr2 -","2","0.0625","","Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A","Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent","Nouveau Journal de Chimie","1979","3","","171","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008264","3.824","0.003","3.824","0.003","12.659","0.005","90","","90","","90","","185.1","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM TETRAOXOCOBALTATE","","- Co La O4 Sr -","- Co La O4 Sr -","- Co2 La2 O8 Sr2 -","2","0.0625","","Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A","Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent","Nouveau Journal de Chimie","1979","3","","171","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008265","2.995","0.003","4.531","0.001","4.397","0.002","90","","90","","90","","59.7","","","","","","","","","","","","","4","P 2 c m","P -2c 2","28","","IRON MANGANESE TITANIUM DEUTERIDE (0.9/0.1/1/1.3) - $-BETA","","- D1.28 Fe0.9 Mn0.1 Ti -","- D1.28 Fe0.9 Mn0.1 Ti -","- D2.56 Fe1.8 Mn0.2 Ti2 -","2","0.5","","Fruchart, D; Commandre, M; Sauvage, D; Rouault, A; Tellgren, R","Structural and activation process studies of Fe-Ti-like hydride compounds","Journal of the Less-Common Metals","1980","74","","55","63","10.1016/0022-5088(80)90073-9","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008266","4.714","0.002","2.837","0.002","4.714","0.003","90","","97.14","0.09","90","","62.6","","","","","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","IRON MANGANESE TITANIUM DEUTERIDE (0.9/0.1/1/1.7) - $-GAMMA","","- D1.69 Fe0.9 Mn0.1 Ti -","- D1.685 Fe0.9 Mn0.1 Ti -","- D3.37 Fe1.8 Mn0.2 Ti2 -","2","0.5","","Fruchart, D; Commandre, M; Sauvage, D; Rouault, A; Tellgren, R","Structural and activation process studies of Fe-Ti-like hydride compounds","Journal of the Less-Common Metals","1980","74","","55","63","10.1016/0022-5088(80)90073-9","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008267","10.4414","0.0004","10.4414","0.0004","6.3433","0.0004","90","","90","","120","","598.9","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","CALCIUM HEXAMANGANESE(III) MANGANESE(IV) DODECAOXIDE","","- Ca Mn7 O12 -","- Ca Mn7 O12 -","- Ca3 Mn21 O36 -","3","0.166667","","Bochu, B; Buevoz, J L; Chenavas, J; Collomb, A; Joubert, J C; Marezio, M","Bond lengths in (Ca Mn~3~) (Mn~4~) O~12~. A new Jahn-Teller distortion of Mn^3+^ octahedra","Solid State Communications","1980","36","","133","138","10.1016/0038-1098(80)90668-7","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008268","6.21","0.08","6.21","0.08","30","0.7","90","","90","","120","","1001.9","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Tetracaesium trinickel cadmium fluoride","","- Cd Cs4 F12 Ni3 -","- Cd Cs4 F12 Ni3 -","- Cd3 Cs12 F36 Ni9 -","3","0.0833333","","Dance, J M; Kerkouri, N; Soubeyroux, J L; Darriet, J; Tressaud, A","Cationic substitutions in fluorides of hexagonal Perovskite type. III. The Cs Ni~1-x~ Cd~x~ F3 system. Crystal chemistry and trimeric magnetic interactions in Cs Ni~.75~ Cd~.25~ F~3~","Materials Letters","1982","1","","49","52","10.1016/0167-577X(82)90004-0","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008269","13.197","","6.403","","6.489","","90","","93.23","","90","","547.5","","","","","","","","","","","","","3","I 1 a 1","I -2ya","9","","Magnesium nickel hydride (2/1/4)","","- H4 Mg2 Ni -","- H4.0002 Mg2 Ni -","- H32.0016 Mg16 Ni8 -","8","2","","Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B","Etude structurale du systeme Mg~2~Ni-H~2~ III- la variete monoclinique de Mg~2~ Ni H~4~","Materials Research Bulletin","1984","19","","1119","1128","10.1016/0025-5408(84)90061-8","","","","","","0.098","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008270","13.34","0.01","7.16","0.005","6.939","0.005","90","","100.14","","90","","652.4","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Telluric acid dipotassium nitrate dihydrate","","- H10 K2 N2 O14 Te -","- H10 K2 N2 O14 Te -","- H20 K4 N4 O28 Te2 -","2","0.5","","Averbuch-Pouchot, M T","Crystal structure of Te(O H)~6~ * 2 K N O~3~ * 2 H~2~ O: an addition compound of telluric acid","Zeitschrift fuer Kristallographie (149,1979-)","1984","167","","247","252","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008271","5.271","","5.271","","8.579","","90","","90","","120","","206.4","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Titanium manganese deuteride (1.2/1.8/3.1)","","- D3.13 Mn1.8 Ti1.2 -","- D3.132 Mn1.8 Ti1.2 -","- D12.528 Mn7.2 Ti4.8 -","4","0.166667","","Fruchart, D; Soubeyroux, J L; Hempelmann, R","Neutron diffraction in Ti~1.2~ Mn~1.8~ deuteride. Structural and magnetic aspects","Journal of the Less-Common Metals","1984","99","","307","319","10.1016/0022-5088(84)90229-7","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008272","5.258","","5.258","","8.577","","90","","90","","120","","205.4","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Titanium manganese deuteride (1.2/1.8/3.01)","","- D3.01 Mn1.8 Ti1.2 -","- D3.012 Mn1.8 Ti1.2 -","- D12.048 Mn7.2 Ti4.8 -","4","0.166667","","Fruchart, D; Soubeyroux, J L; Hempelmann, R","Neutron diffraction in Ti~1.2~ Mn~1.8~ deuteride. Structural and magnetic aspects","Journal of the Less-Common Metals","1984","99","","307","319","10.1016/0022-5088(84)90229-7","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008273","5.257","","5.257","","8.576","","90","","90","","120","","205.3","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Titanium manganese deuteride (1.2/1.8/3)","","- D3 Mn1.8 Ti1.2 -","- D3 Mn1.8 Ti1.2 -","- D12 Mn7.2 Ti4.8 -","4","0.166667","","Fruchart, D; Soubeyroux, J L; Hempelmann, R","Neutron diffraction in Ti~1.2~ Mn~1.8~ deuteride. Structural and magnetic aspects","Journal of the Less-Common Metals","1984","99","","307","319","10.1016/0022-5088(84)90229-7","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008274","5.254","","5.254","","8.572","","90","","90","","120","","204.9","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Titanium manganese deuteride (1.2/1.8/3.02)","","- D3.02 Mn1.8 Ti1.2 -","- D3.09 Mn1.8 Ti1.2 -","- D12.36 Mn7.2 Ti4.8 -","4","0.166667","","Fruchart, D; Soubeyroux, J L; Hempelmann, R","Neutron diffraction in Ti~1.2~ Mn~1.8~ deuteride. Structural and magnetic aspects","Journal of the Less-Common Metals","1984","99","","307","319","10.1016/0022-5088(84)90229-7","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008275","5.254","","5.254","","8.572","","90","","90","","120","","204.9","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Titanium manganese deuteride (1.2/1.8/3.13)","","- D3.13 Mn1.8 Ti1.2 -","- D3.132 Mn1.8 Ti1.2 -","- D12.528 Mn7.2 Ti4.8 -","4","0.166667","","Fruchart, D; Soubeyroux, J L; Hempelmann, R","Neutron diffraction in Ti~1.2~ Mn~1.8~ deuteride. Structural and magnetic aspects","Journal of the Less-Common Metals","1984","99","","307","319","10.1016/0022-5088(84)90229-7","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008276","4.25","0.001","13.99","0.003","16.38","0.003","90","","90","","90","","973.9","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ditin antimony disulfide triiodide","","- I3 S2 Sb Sn2 -","- I3 S2 Sb Sn2 -","- I12 S8 Sb4 Sn8 -","4","0.25","","Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E","Mise en evidence d'un desordre statistique dans les structures chalcogenoiodures d'etain et d'antimoine.","Journal of Solid State Chemistry","1984","55","","833","913","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008277","4.275","0.001","14.059","0.003","16.465","0.003","90","","90","","90","","989.6","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ditin antimony disulfide triiodide","","- I3 S2 Sb Sn2 -","- I3 S2 Sb Sn2 -","- I12 S8 Sb4 Sn8 -","4","0.25","","Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E","Mise en evidence d'un desordre statistique dans les structures chalcogenoiodures d'etain et d'antimoine.","Journal of Solid State Chemistry","1984","55","","83","91","10.1016/0022-4596(84)90250-0","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008278","4.298","0.003","14.085","0.005","17.222","0.008","90","","90","","90","","1042.6","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ditin antimony diselenide triiodide","","- I3 Sb Se2 Sn2 -","- I3 Sb Se2 Sn2 -","- I12 Sb4 Se8 Sn8 -","4","0.25","","Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E","Mise en evidence d'un desordre statistique dans les structures chalcogenoiodures d'etain et d'antimoine.","Journal of Solid State Chemistry","1984","55","","83","91","10.1016/0022-4596(84)90250-0","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008279","14.166","0.004","4.342","0.001","12.149","0.003","90","","96.03","0.03","90","","743.1","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tritin antimony diselenide pentaiodide","","- I5 Sb Se2 Sn3 -","- I5 Sb Se2 Sn3 -","- I10 Sb2 Se4 Sn6 -","2","0.25","","Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E","Mise en evidence d'un desordre statistique dans les structures chalcogenoiodures d'etain et d'antimoine.","Journal of Solid State Chemistry","1984","55","","83","91","10.1016/0022-4596(84)90250-0","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008280","15.424","0.002","7.712","0.001","15.592","0.001","90","","90","","90","","1854.7","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Uranium tetraniobium oxide","","- Nb4 O12 U -","- Nb4 O12 U1.025 -","- Nb32 O96 U8.2 -","8","0.5","","Labeau, M.; Grey, I. E.; Coubert, J. C.; Chenevas, J.; Collomb, A.; Guitel, J. C.","The structure of the a-cation deficient Perovskite U Nb~4~ O~12~","Acta Crystallographica B (39,1983-)","1985","41","1","33","41","10.1107/S0108768185001549","","","","","","0.22","","","","","","","","","","","","","","","has coordinates","188422","2020-10-21","18:00:00",""
"1008281","3.856","","3.856","0.001","7.796","0.001","90","","90","","90","","115.9","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Uranium(IV) tetraniobium oxide","","- Nb2 O6 U0.5 -","- Nb2 O6 U0.5 -","- Nb2 O6 U0.5 -","1","0.0625","","Labeau, M; Grey, I E; Coubert, J C; Chenevas, J; Collomb, A; Guitel, J C","The structure of the a-cation deficient Perovskite U Nb~4~ O~12~","Acta Crystallographica B (24,1968-38,1982)","1985","41","","33","41","","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008282","8.521","","8.521","","8.521","","90","","90","","90","","618.7","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Magnesium platinum oxide","","- Mg2 O4 Pt -","- Mg2 O4 Pt -","- Mg16 O32 Pt8 -","8","0.0416667","","Muller, O; Roy, R","Synthesis and crystal structure of Mg~2~ Pt O~4~ and Zn~2~ Pt O~4~","Materials Research Bulletin","1969","4","","39","44","10.1016/0025-5408(69)90014-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008283","8.549","","8.549","","8.549","","90","","90","","90","","624.8","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Zinc platinum oxide","","- O4 Pt Zn2 -","- O4 Pt Zn2 -","- O32 Pt8 Zn16 -","8","0.0416667","","Muller, O; Roy, R","Synthesis and crystal structure of Mg~2~ Pt O~4~ and Zn~2~ Pt O~4~","Materials Research Bulletin","1969","4","","39","44","10.1016/0025-5408(69)90014-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008284","10.76","","10.76","","10.76","","90","","90","","90","","1245.8","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Tetrakis(niobium selenide iodide)","","- I4 Nb4 Se4 -","- I4 Nb4 Se4 -","- I16 Nb16 Se16 -","4","0.0416667","","Ben Yaich, H; Jegaden, J C; Potel, M; Sergent, M; Rastogi, A K; Tournier, R","Nouveaux chalcogenures et chalcohalogenures a clusters tetraedriques Nb~4~ ou Ta~4~","Journal of the Less-Common Metals","1984","102","","9","22","10.1016/0022-5088(84)90384-9","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008285","5.256","","5.256","","13.435","","90","","90","","120","","321.4","","","","","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","Magnesium nickel deuteride (2/1/.3)","","- D0.3 Mg2 Ni -","- D0.29 Mg2 Ni -","- D1.74 Mg12 Ni6 -","6","0.5","","Darriet, B; Soubeyroux, J L; Pezat, M; Fruchart, D","Structural and hydrogen diffusion study in the Mg~2~ Ni H~2~ system","Journal of the Less-Common Metals","1984","103","","153","162","10.1016/0022-5088(84)90374-6","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008286","5.256","","5.256","","13.435","","90","","90","","120","","321.4","","","","","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","Magnesium nickel deuteride (2/1/.3)","","- D0.3 Mg2 Ni -","- D0.26 Mg2 Ni -","- D1.56 Mg12 Ni6 -","6","0.5","","Darriet, B; Soubeyroux, J L; Pezat, M; Fruchart, D","Structural and hydrogen diffusion study in the Mg~2~ Ni H~2~ system","Journal of the Less-Common Metals","1984","103","","153","162","10.1016/0022-5088(84)90374-6","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008287","5.256","","5.256","","13.435","","90","","90","","120","","321.4","","","","","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","Magnesium nickel deuteride (2/1/.3)","","- D0.3 Mg2 Ni -","- D0.235 Mg2 Ni -","- D1.41 Mg12 Ni6 -","6","0.5","","Darriet, B; Soubeyroux, J L; Pezat, M; Fruchart, D","Structural and hydrogen diffusion study in the Mg~2~ Ni H~2~ system","Journal of the Less-Common Metals","1984","103","","153","162","10.1016/0022-5088(84)90374-6","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008288","6.5247","0.0003","6.5247","0.0003","6.5247","0.0003","90","","90","","90","","277.8","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Magnesium nickel deuteride (2/1/4)","","- D4 Mg2 Ni -","- D3.96 Mg2 Ni -","- D15.84 Mg8 Ni4 -","4","0.0208333","","Darriet, B; Soubeyroux, J L; Pezat, M; Fruchart, D","Structural and hydrogen diffusion study in the Mg~2~ Ni H~2~ system","Journal of the Less-Common Metals","1984","103","","153","162","10.1016/0022-5088(84)90374-6","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008289","6.5247","0.0003","6.5247","0.0003","6.5247","0.0003","90","","90","","90","","277.8","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Magnesium nickel deuteride (2/1/4)","","- D4 Mg2 Ni -","- D4.02 Mg2 Ni -","- D16.08 Mg8 Ni4 -","4","0.0208333","","Darriet, B; Soubeyroux, J L; Pezat, M; Fruchart, D","Structural and hydrogen diffusion study in the Mg~2~ Ni H~2~ system","Journal of the Less-Common Metals","1984","103","","153","162","10.1016/0022-5088(84)90374-6","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008290","5.9475","","5.9475","","5.9475","","90","","90","","90","","210.4","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.95/.05/.05/1.95)","","- Bi0.05 F1.95 O0.05 Pb0.95 -","- Bi0.048 F1.9508 O0.0492 Pb0.95 -","- Bi0.192 F7.8032 O0.1968 Pb3.8 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008291","13.22","0.01","7.224","0.006","7.196","0.005","90","","92.08","","90","","686.8","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Trizinc dirubidium diphosphate","","- O14 P4 Rb2 Zn3 -","- O14 P4 Rb2 Zn3 -","- O28 P8 Rb4 Zn6 -","2","1","","Averbuch-Pouchot, M T","Crystal data on Zn~3~ Rb~2~ (P~2~ O~7~)~2~ and Co~3~ Rb~2~ (P~2~ O~7~)~2~","Zeitschrift fuer Kristallographie (149,1979-)","1985","171","","113","119","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008292","5.935","","5.935","","5.935","","90","","90","","90","","209.1","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.85/.15/.15/1.85)","","- Bi0.15 F1.85 O0.15 Pb0.85 -","- Bi0.18 F1.8552 O0.1448 Pb0.85 -","- Bi0.72 F7.4208 O0.5792 Pb3.4 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008293","5.9256","","5.9256","","5.9256","","90","","90","","90","","208.1","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.80/.20/.20/1.80)","","- Bi0.2 F1.8 O0.2 Pb0.8 -","- Bi0.18 F1.8172 O0.1908 Pb0.8 -","- Bi0.72 F7.2688 O0.7632 Pb3.2 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008294","5.9183","","5.9183","","5.9183","","90","","90","","90","","207.3","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.75/.25/.25/1.75)","","- Bi0.25 F1.75 O0.25 Pb0.75 -","- Bi0.24 F1.768 O0.252 Pb0.75 -","- Bi0.96 F7.072 O1.008 Pb3 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008295","5.8977","","5.8977","","5.8977","","90","","90","","90","","205.1","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.70/.30/.30/1.70)","","- Bi0.3 F1.7 O0.3 Pb0.7 -","- Bi0.3 F1.6916 O0.3004 Pb0.7 -","- Bi1.2 F6.7664 O1.2016 Pb2.8 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008296","5.9069","","5.9069","","5.9069","","90","","90","","90","","206.1","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.65/.35/.35/1.65)","","- Bi0.35 F1.65 O0.35 Pb0.65 -","- Bi0.36 F1.652 O0.344 Pb0.65 -","- Bi1.44 F6.608 O1.376 Pb2.6 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008297","5.9028","","5.9028","","5.9028","","90","","90","","90","","205.7","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.60/.40/.40/1.60)","","- Bi0.4 F1.6 O0.4 Pb0.6 -","- Bi0.42 F1.604 O0.396 Pb0.6 -","- Bi1.68 F6.416 O1.584 Pb2.4 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008298","5.8988","","5.8988","","5.8988","","90","","90","","90","","205.3","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.55/.45/.45/1.55)","","- Bi0.45 F1.55 O0.45 Pb0.55 -","- Bi0.48 F1.56 O0.448 Pb0.55 -","- Bi1.92 F6.24 O1.792 Pb2.2 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008299","5.8822","","5.8822","","5.8822","","90","","90","","90","","203.5","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.50/.50/.50/1.50)","","- Bi0.5 F1.5 O0.5 Pb0.5 -","- Bi0.48 F1.5 O0.5 Pb0.5 -","- Bi1.92 F6 O2 Pb2 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008300","5.8722","","5.8722","","5.8722","","90","","90","","90","","202.5","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.40/.60/.60/1.60)","","- Bi0.6 F1.4 O0.6 Pb0.4 -","- Bi0.6 F1.412 O0.6028 Pb0.4 -","- Bi2.4 F5.648 O2.4112 Pb1.6 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008301","5.8641","","5.8641","","5.8641","","90","","90","","90","","201.7","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.33/.67/.67/1.33)","","- Bi0.67 F1.33 O0.67 Pb0.33 -","- Bi0.66 F1.324 O0.668 Pb0.33 -","- Bi2.64 F5.296 O2.672 Pb1.32 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008302","10.101","0.002","10.101","0.002","10.101","0.002","90","","90","","90","","1030.6","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Copper chromium tin sulfide (1.10/1.30/0.70/3.90)","","- Cr1.3 Cu1.1 S3.9 Sn0.7 -","- Cr1.3 Cu1.1 S3.9 Sn0.7 -","- Cr10.4 Cu8.8 S31.2 Sn5.6 -","8","0.0416667","","Danot, M; Colombet, P; Tremblet, M; Soubeyroux, J L","Crystal Structure of a Metal Excess Spinel: Cu~1.10~ Cr~1.30~ Sn~0.70~ S~3.90~","Materials Research Bulletin","1985","20","","463","468","10.1016/0025-5408(85)90015-7","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008303","4.8552","","8.4088","","4.5327","","90","","90","","90","","185.1","","","","","","","","","","","","","2","C 2 2 21","C 2c 2","20","","Manganese nitride (2/0.86)","","- Mn2 N0.86 -","- Mn2 N0.846667 -","- Mn12 N5.08 -","6","0.75","","Eddine, M N; Bertaut, E F","Structure cristallographique et magnetique de Mn~2~ N~0.86~ a basse Temperature","Solid State Communications","1977","23","","147","150","10.1016/0038-1098(77)90097-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008304","6.808","0.005","7.875","0.006","22.12","0.01","86.23","0.01","96.96","0.01","113.98","0.01","1075.4","","","","","","","","","","","","","4","P -1","-P 1","2","","Dilead tricaesium tetrametapolyphosphate *","","- Cs3 O21 P7 Pb2 -","- Cs3 O21 P7 Pb2 -","- Cs6 O42 P14 Pb4 -","2","1","","Averbuch-Pouchot, M T","Crystal structure of a tetrameta-polyphosphate: Pb~2~ Cs~3~ (P~4~ O~12~) (P O~3~)~3~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1985","529","","143","150","10.1002/zaac.19855291019","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008305","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tin diselenide","","- Se2 Sn -","","","","","","Pałosz, B.; Gierlotka, S.; Lévy, F.","Polytypism of Sn Se~2~ Crystals Grown by Chemical Transport: Structures of Six Large-Period Polytypes of Sn Se~2~","Acta Cryst C","1985","41","","1404","1406","10.1107/s0108270185007958","","","","","","","","","","","","","","","","","","","","","","176229","2020-10-21","18:00:00",""
"1008306","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tin diselenide","","- Se2 Sn -","","","","","","Pałosz, B.; Gierlotka, S.; Lévy, F.","Polytypism of Sn Se~2~ Crystals Grown by Chemical Transport: Structures of Six Large-Period Polytypes of Sn Se~2~","Acta Cryst C","1985","41","","1404","1406","10.1107/s0108270185007958","","","","","","","","","","","","","","","","","","","","","","176229","2020-10-21","18:00:00",""
"1008307","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tin diselenide","","- Se2 Sn -","","","","","","Pałosz, B.; Gierlotka, S.; Lévy, F.","Polytypism of Sn Se~2~ Crystals Grown by Chemical Transport: Structures of Six Large-Period Polytypes of Sn Se~2~","Acta Cryst C","1985","41","","1404","1406","10.1107/s0108270185007958","","","","","","","","","","","","","","","","","","","","","","176229","2020-10-21","18:00:00",""
"1008308","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tin diselenide","","- Se2 Sn -","","","","","","Pałosz, B.; Gierlotka, S.; Lévy, F.","Polytypism of Sn Se~2~ Crystals Grown by Chemical Transport: Structures of Six Large-Period Polytypes of Sn Se~2~","Acta Cryst C","1985","41","","1404","1406","10.1107/s0108270185007958","","","","","","","","","","","","","","","","","","","","","","176229","2020-10-21","18:00:00",""
"1008309","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tin diselenide","","- Se2 Sn -","","","","","","Pałosz, B.; Gierlotka, S.; Lévy, F.","Polytypism of Sn Se~2~ Crystals Grown by Chemical Transport: Structures of Six Large-Period Polytypes of Sn Se~2~","Acta Cryst C","1985","41","","1404","1406","10.1107/s0108270185007958","","","","","","","","","","","","","","","","","","","","","","176229","2020-10-21","18:00:00",""
"1008310","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tin diselenide","","- Se2 Sn -","","","","","","Pałosz, B.; Gierlotka, S.; Lévy, F.","Polytypism of Sn Se~2~ Crystals Grown by Chemical Transport: Structures of Six Large-Period Polytypes of Sn Se~2~","Acta Cryst C","1985","41","","1404","1406","10.1107/s0108270185007958","","","","","","","","","","","","","","","","","","","","","","176229","2020-10-21","18:00:00",""
"1008316","7.33","","7.05","","14.35","","90","","90","","90","","741.6","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cerium sulfide iodide - $-alpha","","- Ce I S -","- Ce I S -","- Ce8 I8 S8 -","8","1","","Beck, H P; Strobel, C","Zur Hochdruckpolymorphie der Seltenerdsulfidiodide Ln S I","Zeitschrift fuer Anorganische und Allgemeine Chemie","1986","535","","229","239","10.1002/zaac.19865350427","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008317","4.547","","4.547","","32.63","","90","","90","","120","","584.2","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Samarium sulfide iodide","","- I S Sm -","- I S Sm -","- I6 S6 Sm6 -","6","0.166667","","Beck, H P; Strobel, C","Zur Hochdruckpolymorphie der Seltenerdsulfidiodide Ln S I","Zeitschrift fuer Anorganische und Allgemeine Chemie","1986","535","","229","239","10.1002/zaac.19865350427","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008318","10.737","","10.737","","4.179","","90","","90","","120","","417.2","","","","","","","","","","","","","3","P -6","P -6","174","","Gadolinium sulfide iodide","","- Gd I S -","- Gd I S -","- Gd3 I3 S3 -","3","0.5","","Beck, H P; Strobel, C","Zur Hochdruckpolymorphie der Seltenerdsulfidiodide Ln S I","Zeitschrift fuer Anorganische und Allgemeine Chemie","1986","535","","229","239","10.1002/zaac.19865350427","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008319","9.158","0.002","12.144","0.003","6.729","0.001","90","","90","","90","","748.4","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Barium potassium vanadium sulfide (1.14/.72/1/4)","","- Ba1.14 K0.72 S4 V -","- Ba1.14 K0.72 S4 V -","- Ba4.56 K2.88 S16 V4 -","4","1","","Vincent, H; Anne, M; Chang, A; Marcus, J","Synthese et structure cristalline de Ba~1.14~ K~.72~ V S~4~","Journal of Solid State Chemistry","1986","61","","332","337","10.1016/0022-4596(86)90039-3","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008320","7.098","0.001","7.098","0.001","58.69","","90","","90","","90","","2956.9","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Samarium iron boride (17/60/60)","","- B60 Fe60 Sm17 -","- B60 Fe60 Sm17 -","- B120 Fe120 Sm34 -","2","0.25","","Bezinge, A; Braun, H F; Muller, J; Yvon, K","Tetragonal rare earth (R) iron borides, R(~1+x~) Fe~4~ B~4~ (x=0.1), with incommensurate rare earth and iron substructures","Solid State Communications","1985","55","","131","135","10.1016/0038-1098(85)90264-9","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008321","11.67","0.01","11.67","0.01","12.12","0.01","90","","90","","120","","1429.5","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Bis(sodium cyclo-triphosphate) hexaoxotelluric acid hexahydrat","","- H18 Na6 O30 P6 Te -","- H24 Na6 O30 P6 Te -","- H48 Na12 O60 P12 Te2 -","2","0.166667","","Boudjada, N; Lambert Andron, B","Neutron structural refinement of Te (O H)~6~ (Na~3~ P~3~ O~9~)~2~ (H~2~ O)~6~, study of hydrogen bonds","Zeitschrift fuer Kristallographie (149,1979-)","1985","172","","45","53","","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","186636","2020-10-21","18:00:00",""
"1008322","9.866","0.003","9.866","0.003","2.872","0.001","90","","90","","90","","279.6","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Potassium manganese oxide (1.33/8/16)","","- K1.33 Mn8 O16 -","- K1.3332 Mn8 O16 -","- K1.3332 Mn8 O16 -","1","0.0625","","Vicat, J; Fanchon, E; Strobel, P; Tran Qui, D","The Structure of K~1.33~ Mn~8~ O~16~ and Cation Ordering in Hollandite- Type Structures","Acta Crystallographica B (39,1983-)","1986","42","","162","167","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008323","13.772","0.002","13.772","0.002","13.772","0.002","90","","90","","90","","2612.1","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Terbium rhodium tin (4.6/6/18.4)","","- Rh6 Sn18.4 Tb4.6 -","- Rh6 Sn18.4 Tb4.6 -","- Rh24 Sn73.6 Tb18.4 -","4","0.0208333","","Miraglia, S; Hodeau, J L; de Bergevin, F; Marezio, M","Structural studies by electron and X-ray diffraction of the disordered phases II: (Sn~1-x~Tb~x~)Tb~4~Rh~6~Sn~18~ and (Sn~1- x~Dy~x~)Dy~4~Os~6~Sn~18~","Acta Crystallographica B (39,1983-)","1987","43","","76","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008324","13.772","0.002","13.772","0.002","27.544","0.004","90","","90","","90","","5224.2","","","","","","","","","","","","","3","I 41/a c d :1","I 4bw 2aw -1bw","142","","Terbium rhodium tin (5/6/17.6)","","- Rh6 Sn17.6 Tb5 -","- Rh6 Sn17.6 Tb5 -","- Rh48 Sn140.8 Tb40 -","8","0.25","","Miraglia, S; Hodeau, J L; de Bergevin, F; Marezio, M","Structural studies by electron and X-ray diffraction of the disordered phases II: (Sn~1-x~Tb~x~)Tb~4~Rh~6~Sn~18~ and (Sn~1- x~Dy~X~)Dy~4~Os~6~Sn~18~","Acta Crystallographica B (39,1983-)","1987","43","","76","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008326","5.929","0.001","5.929","0.001","23.413","0.001","90","","90","","120","","712.8","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Barium dodecairon(III) oxide","","- Ba Fe12 O19 -","- Ba Fe12 O19 -","- Ba2 Fe24 O38 -","2","0.0833333","","Collomb, A; Wolfers, P; Obradors, X","Neutron diffraction studies of some hexagonal ferrites: BaFe~12~O~19~, BaMg~2~-W and BaCo~2~-W","Journal of Magnetism and Magnetic Materials","1986","62","","57","67","10.1016/0304-8853(86)90734-1","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008327","5.9281","0.0004","5.9281","0.0004","23.407","0.001","90","","90","","120","","712.4","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Barium dodecairon(III) oxide","","- Ba Fe12 O19 -","- Ba Fe12 O19 -","- Ba2 Fe24 O38 -","2","0.0833333","","Collomb, A; Wolfers, P; Obradors, X","Neutron diffraction studies of some hexagonal ferrites: BaFe~12~O~19~, BaMg~2~-W and BaCo~2~-W","Journal of Magnetism and Magnetic Materials","1986","62","","57","67","10.1016/0304-8853(86)90734-1","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008328","5.865","0.002","5.865","0.002","23.099","0.005","90","","90","","120","","688.1","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Barium dodecairon(III) oxide","","- Ba Fe12 O19 -","- Ba Fe12 O19 -","- Ba2 Fe24 O38 -","2","0.0833333","","Collomb, A; Wolfers, P; Obradors, X","Neutron diffraction studies of some hexagonal ferrites: BaFe~12~O~19~, BaMg~2~-W and BaCo~2~-W","Journal of Magnetism and Magnetic Materials","1986","62","","57","67","10.1016/0304-8853(86)90734-1","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008329","5.892","0.002","5.892","0.002","32.85","0.01","90","","90","","120","","987.6","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium dimanganese ferrite","","- Ba Fe16 Mg2 O27 -","- Ba Fe16.069 Mg1.931 O27 -","- Ba2 Fe32.138 Mg3.862 O54 -","2","0.0833333","","Collomb, A; Wolfers, P; Obradors, X","Neutron diffraction studies of some hexagonal ferrites: BaFe~12~O~19~, BaMg~2~-W and BaCo~2~-W","Journal of Magnetism and Magnetic Materials","1986","62","","57","67","10.1016/0304-8853(86)90734-1","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008330","5.899","0.001","5.899","0.001","32.846","0.005","90","","90","","120","","989.9","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium dicobalt ferrite","","- Ba Co2 Fe16 O27 -","- Ba Co1.931 Fe16.069 O27 -","- Ba2 Co3.862 Fe32.138 O54 -","2","0.0833333","","Collomb, A; Wolfers, P; Obradors, X","Neutron diffraction studies of some hexagonal ferrites: BaFe~12~O~19~, BaMg~2~-W and BaCo~2~-W","Journal of Magnetism and Magnetic Materials","1986","62","","57","67","10.1016/0304-8853(86)90734-1","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008331","5.412","0.002","5.412","0.002","8.599","0.003","90","","90","","120","","218.1","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Lanthanum nickel deuteride (1/5/6.7) - β","","- D6.7 La Ni5 -","- D6.71 La Ni5 -","- D13.42 La2 Ni10 -","2","0.166667","","Lartigue, C.; Percheron-Guegan, A.; Achard, J. C.; Soubeyroux, J. L.","Hydrogen (deuterium) ordering in the β-LaNi~5~D~x>5~ Phases: A Neutron Diffraction Study","Journal of the Less-Common Metals","1985","113","1","127","148","10.1016/0022-5088(85)90155-9","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","200137","2020-10-21","18:00:00",""
"1008332","5.396","0.002","5.396","0.002","8.571","0.002","90","","90","","120","","216.1","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Lanthanum nickel deuteride (1/5/6.4) - β","","- D6.4 La Ni5 -","- D6.39 La Ni5 -","- D12.78 La2 Ni10 -","2","0.166667","","Lartigue, C.; Percheron-Guegan, A.; Achard, J. C.; Soubeyroux, J. L.","Hydrogen (deuterium) ordering in the β-LaNi~5~D~x>5~ Phases: A Neutron Diffraction Study","Journal of the Less-Common Metals","1985","113","1","127","148","10.1016/0022-5088(85)90155-9","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","200137","2020-10-21","18:00:00",""
"1008333","5.386","0.002","5.386","0.002","8.544","0.002","90","","90","","120","","214.6","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Lanthanum nickel deuteride (1/5/5.9)-β","","- D5.9 La Ni5 -","- D5.91 La Ni5 -","- D11.82 La2 Ni10 -","2","0.166667","","Lartigue, C.; Percheron-Guegan, A.; Achard, J. C.; Soubeyroux, J. L.","Hydrogen (deuterium) ordering in the β-LaNi~5~D~x>5~ Phases: A Neutron Diffraction Study","Journal of the Less-Common Metals","1985","113","1","127","148","10.1016/0022-5088(85)90155-9","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","200137","2020-10-21","18:00:00",""
"1008334","5.395","0.003","5.395","0.003","4.242","0.002","90","","90","","120","","106.9","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Lanthanum nickel deuteride (1/5/5.0) - β","","- D5 La Ni5 -","- D5 La Ni5 -","- D10 La2 Ni10 -","2","0.166667","","Lartigue, C.; Percheron-Guegan, A.; Achard, J. C.; Soubeyroux, J. L.","Hydrogen (deuterium) ordering in the β-LaNi~5~D~x>5~ Phases: A Neutron Diffraction Study","Journal of the Less-Common Metals","1985","113","1","127","148","10.1016/0022-5088(85)90155-9","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","200137","2020-10-21","18:00:00",""
"1008335","6.416","0.002","7.727","0.003","7.298","0.002","90","","90","","90","","361.8","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Lithium dihydrogenarsenate","","- As H2 Li O4 -","- As H2 Li O4 -","- As4 H8 Li4 O16 -","4","1","","Fanchon, E.; Vicat, J.; Tran Qui, Duc; Boudjada, A.","Absolute structure of LiH~2~AsO~4~","Acta Crystallographica, Section C: Crystal Structure Communications","1987","43","6","1022","1025","10.1107/s0108270187093156","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008336","19.44","0.005","19.027","0.005","13.222","0.005","90","","90","","90","","4890.6","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Lithium caesium polyphosphate","","- Cs Li O6 P2 -","- Cs Li O6 P2 -","- Cs32 Li32 O192 P64 -","32","2","","El-Horr, N; Bagieu, M","Structure d'un polyphosphate mixte de lithium et de cesium: LiCs(PO~3~)~2~","Acta Crystallographica C (39,1983-)","1987","43","","603","605","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008337","13.264","0.009","10.577","0.008","12.393","0.009","90","","96.09","0.01","90","","1728.8","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Calcium diniobium tetraphosphate diphosphate oxide","","- Ca Nb2 O21 P6 -","- Ca Nb2 O21 P6 -","- Ca4 Nb8 O84 P24 -","4","0.5","","Averbuch-Pouchot, M T","Crystal structure of a tetrapoly-dipolyphosphate: Ca Nb~2~ = (P~4~ O~13~) (P~2~ O~7~).","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","545","","118","124","10.1002/zaac.19875450213","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008338","7.084","0.003","11.303","0.004","5.394","0.002","90","","113.2","0.1","90","","397","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Potassium iron(III) sulfide","","- Fe K S2 -","- Fe K S2 -","- Fe4 K4 S8 -","4","0.5","","Bronger, W; Kyas, A; Muller, P","The antiferromagnetic structures of K Fe S~2~, Rb Fe S~2~, K Fe Se~2~, and Rb Fe Se~2~ and the correlation between magnetic moments and crystal field calculations","Journal of Solid State Chemistry","1987","70","","262","270","10.1016/0022-4596(87)90065-X","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008339","7.223","0.003","11.725","0.003","5.43","0.002","90","","112","0.1","90","","426.4","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Rubidium iron(III) sulfide","","- Fe Rb S2 -","- Fe Rb S2 -","- Fe4 Rb4 S8 -","4","0.5","","Bronger, W; Kyas, A; Muller, P","The antiferromagnetic structures of K Fe S~2~, Rb Fe S~2~, K Fe Se~2~, and Rb Fe Se~2~ and the correlation between magnetic moments and crystal field calculations","Journal of Solid State Chemistry","1987","70","","262","270","10.1016/0022-4596(87)90065-X","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008340","7.028","0.004","11.201","0.005","5.388","0.002","90","","113.3","0.1","90","","389.6","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Potassium iron sulfide","","- Fe K S2 -","- Fe K S2 -","- Fe4 K4 S8 -","4","0.5","","Bronger, W; Kyas, A; Muller, P","The antiferromagnetic structures of K Fe S~2~, Rb Fe S~2~, K Fe Se~2~, and Rb Fe Se~2~ and the correlation between magnetic moments and crystal field calculations","Journal of Solid State Chemistry","1987","70","","262","270","10.1016/0022-4596(87)90065-X","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008341","7.245","0.003","11.762","0.004","5.455","0.002","90","","112","0.1","90","","431","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Rubidium iron sulfide","","- Fe Rb S2 -","- Fe Rb S2 -","- Fe4 Rb4 S8 -","4","0.5","","Bronger, W; Kyas, A; Muller, P","The antiferromagnetic structures of K Fe S~2~, Rb Fe S~2~, K Fe Se~2~, and Rb Fe Se~2~ and the correlation between magnetic moments and crystal field calculations","Journal of Solid State Chemistry","1987","70","","262","270","10.1016/0022-4596(87)90065-X","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008342","7.189","0.002","11.619","0.005","5.435","0.002","90","","112.2","0.1","90","","420.3","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Rubidium iron sulfide","","- Fe Rb S2 -","- Fe Rb S2 -","- Fe4 Rb4 S8 -","4","0.5","","Bronger, W; Kyas, A; Muller, P","The antiferromagnetic structures of K Fe S~2~, Rb Fe S~2~, K Fe Se~2~, and Rb Fe Se~2~ and the correlation between magnetic moments and crystal field calculations","Journal of Solid State Chemistry","1987","70","","262","270","10.1016/0022-4596(87)90065-X","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008343","7.032","0.008","7.696","0.004","8.659","0.003","106.2","0.04","105.86","0.04","82.78","0.04","432.3","","","","","","","","","","","","","5","P -1","-P 1","2","","Bismuth ammonium hydro tripolyphosphate","","- Bi H5 N O10 P3 -","- Bi H2.5 N O10 P3 -","- Bi2 H5 N2 O20 P6 -","2","1","","Averbuch-Pouchot, M T; Bagieu-Beucher, M","Structural investigations of two bismuth-ammonium condensed phosphates: Bi H N H~4~ P~3~ O~10~ and Bi N H~4~ (P O~3~)~4~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","552","","171","180","10.1002/zaac.19875520919","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008344","10.925","0.009","9.034","0.008","10.438","0.009","90","","106.18","0.04","90","","989.4","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bismuth ammonium tetraphosphate","","- Bi H4 N O12 P4 -","- Bi H2 N O12 P4 -","- Bi4 H8 N4 O48 P16 -","4","1","","Averbuch-Pouchot, M T; Bagieu-Beucher, M","Structural investigations of two bismuth-ammonium condensed phosphates: Bi H N H~4~ P~3~ O~10~ and Bi N H~4~ (P O~3~)~4~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","552","","171","180","10.1002/zaac.19875520919","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008345","5.9043","0.0007","5.9043","0.0007","32.91","0.007","90","","90","","120","","993.6","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium cobalt iron oxide (1/2/16/27)","","- Ba Co1.8 Fe16.2 O27 -","- Ba Co1.8 Fe16.2 O27 -","- Ba2 Co3.6 Fe32.4 O54 -","2","0.0833333","","Collomb, A; Lambert Andron, B; Boucherle, J X; Samaras, D","Crystal structure and Cobalt location in the W-type hexagonal ferrite (Ba) Co~2~-W.","Physica Status Solidi, Sectio A: Applied Research","1986","96","","385","395","10.1002/pssa.2210960203","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008346","5.9043","0.0007","5.9043","0.0007","32.91","0.007","90","","90","","120","","993.6","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium cobalt iron oxide (1/1.883/16/27)","","- Ba Co1.883 Fe16.12 O27 -","- Ba Co1.883 Fe16.117 O27 -","- Ba2 Co3.766 Fe32.234 O54 -","2","0.0833333","","Collomb, A; Lambert Andron, B; Boucherle, J X; Samaras, D","Crystal structure and Cobalt location in the W-type hexagonal ferrite (Ba) Co~2~-W.","Physica Status Solidi, Sectio A: Applied Research","1986","96","","385","395","10.1002/pssa.2210960203","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008347","7.999","0.005","7.999","0.005","17.096","0.002","90","","90","","120","","947.3","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Caesium ytterbium fluoride (1/4/13)","","- Cs F13 Yb4 -","- Cs F13 Yb4 -","- Cs3 F39 Yb12 -","3","0.25","","Aleonard, S; Lambert, B; Pannetier, J; Gorius, M F; Roux, M T","Etude par diffraction neutronique de la phase Cs~4-x~ Yb~12~ F~40-x~ (0 <= X <=1): Hypothese Structurale.","Journal of Solid State Chemistry","1985","58","","226","232","10.1016/0022-4596(85)90239-7","","","","","","0.0593","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008348","7.999","0.005","7.999","0.005","17.078","0.003","90","","90","","120","","946.3","","","","","","","","","","prepared at T = 1373 K","","","3","P 63 m c","P 6c -2c","186","","Caesium ytterbium fluoride (3.4/12/39.4) - prepared at T = 1373 K","","- Cs3.4 F39.4 Yb12 -","- Cs3.4 F39.4 Yb12 -","- Cs3.4 F39.4 Yb12 -","1","0.0833333","","Aleonard, S; Lambert, B; Pannetier, J; Gorius, M F; Roux, M T","Etude par diffraction neutronique de la phase Cs~4-x~ Yb~12~ F~40-x~ (0 <= X <=1): Hypothese Structurale.","Journal of Solid State Chemistry","1985","58","","226","232","10.1016/0022-4596(85)90239-7","","","","","","0.0535","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008349","7.999","0.005","7.999","0.005","17.078","0.003","90","","90","","120","","946.3","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Caesium triytterbium decafluoride","","- Cs F10 Yb3 -","- Cs F10 Yb3 -","- Cs4 F40 Yb12 -","4","0.333333","","Aleonard, S; Lambert, B; Pannetier, J; Gorius, M F; Roux, M T","Etude par diffraction neutronique de la phase Cs~4-x~ Yb~12~ F~40-x~ (0 <= X <=1): Hypothese Structurale.","Journal of Solid State Chemistry","1985","58","","226","232","10.1016/0022-4596(85)90239-7","","","","","","0.0538","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008350","20.122","0.002","20.143","0.002","12.142","0.001","90","","90","","90","","4921.4","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Sodium neodymium tetragallium octasulfide","","- Ga4 Na Nd S8 -","- Ga4 Na Nd S8 -","- Ga64 Na16 Nd16 S128 -","16","0.5","","Ibanez, R; Gravereau, P; Garcia, A; Fouassier, C","Structural Study of NaNdGa~4~S~8~, a Luminescent Material with Low- Concentration Quenching","Journal of Solid State Chemistry","1988","73","","252","258","10.1016/0022-4596(88)90076-X","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008351","3.825","0.0001","3.8864","0.0001","11.6945","0.0004","90","","90","","90","","173.8","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Dibarium yttrium copper oxide (2/1/3/6.8)","","- Ba2 Cu3 O6.8 Y -","- Ba2 Cu3 O6.8 Y -","- Ba2 Cu3 O6.8 Y -","1","0.125","","Beech, F; Miraglia, S; Santoro, A; Roth, R S","Neutron study of the crystal structure and vacancy distribution in the superconductor Ba~2~YCu~3~O~9-d~","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1987","35","16","8778","8781","10.1103/PhysRevB.35.8778","","","","","","0.1007","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008352","3.8174","0.0001","3.8804","0.0001","11.652","0.0003","90","","90","","90","","172.6","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/6.8)","","- Ba2 Cu3 O6.8 Y -","- Ba2 Cu3 O6.8 Y -","- Ba2 Cu3 O6.8 Y -","1","0.125","","Beech, F; Miraglia, S; Santoro, A; Roth, R S","Neutron study of the crystal structure and vacancy distribution in the superconductor Ba~2~YCu~3~O~9-d~","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1987","35","16","8778","8781","10.1103/PhysRevB.35.8778","","","","","","0.0868","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008353","3.8198","0.0001","3.8849","0.0001","11.6762","0.0003","90","","90","","90","","173.3","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/7)","","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","1","0.125","","Beech, F; Miraglia, S; Santoro, A; Roth, R S","Neutron study of the crystal structure and vacancy distribution in the superconductor Ba~2~YCu~3~O~9-d~","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1987","35","16","8778","8781","10.1103/PhysRevB.35.8778","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008354","3.8126","0.0001","3.8804","0.0001","11.6333","0.0003","90","","90","","90","","172.1","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/7)","","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","1","0.125","","Beech, F; Miraglia, S; Santoro, A; Roth, R S","Neutron study of the crystal structure and vacancy distribution in the superconductor Ba~2~YCu~3~O~9-d~","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1987","35","16","8778","8781","10.1103/PhysRevB.35.8778","","","","","","0.0862","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008355","3.8715","0.0006","3.8715","0.0006","11.738","0.002","90","","90","","90","","175.9","","","","","","","","","","prepared at T = 950 C","","","4","P 4/m m m","-P 4 2","123","","Yttrium barium copper oxide (.9/2.1/3/6) - prepared at T = 950 C","","- Ba2.1 Cu3 O6 Y0.9 -","- Ba2.11 Cu3 O6 Y0.89 -","- Ba2.11 Cu3 O6 Y0.89 -","1","0.0625","","Bordet, P; Chaillout, C; Capponi, J J; Chenavas, J; Marezio, M","Crystal structure of Y~0.9~ Ba~2.1~ Cu~3~ O~6~, a compound related to the high-T~c~ superconductor Y Ba~2~ Cu~3~ O~7~.","Nature (London)","1987","327","","687","689","10.1038/327687a0","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008356","14.2661","0.0002","5.7334","0.0001","5.0495","0.0001","90","","90","","90","","413","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Iron(II) diniobate","","- Fe Nb2 O6 -","- Fe Nb2 O6 -","- Fe4 Nb8 O24 -","4","0.5","","Bordet, P; McHale, A; Santoro, A; Roth, R S","Powder neutron diffraction study of Zr Ti O~4~, Zr~5~ Ti~7~ O~24~ and Fe Nb~2~ O~6~","Journal of Solid State Chemistry","1986","64","","30","46","10.1016/0022-4596(86)90119-2","","","","","","0.0273","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008357","8.038","0.001","8.038","0.001","8.038","0.001","90","","90","","90","","519.3","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Dipotassium platinum hydride - 295K","","- H4 K2 Pt -","- H4 K2 Pt -","- H16 K8 Pt4 -","4","0.0208333","","Bronger, W; Auffermann, G; Muller, P","K~2~ Pt H~4~, a new hydride with rotating planar (Pt H~4~)^2-^ groups in its high-temperature phase","Journal of the Less-Common Metals","1986","116","","9","15","10.1016/0022-5088(86)90212-2","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008358","9.151","0.008","9.151","0.008","9.151","0.008","90","","90","","90","","766.3","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thorium zirconium deuteride (1/2/6)","","- D6 Th Zr2 -","- D6.004 Th Zr2 -","- D48.032 Th8 Zr16 -","8","0.0416667","","Bartscher, W; Rebizant, J; Boeuf, A; Caciuffo, R; Rustichelli, F; Fournier, J M; Kuhs, W F","Distribution of deuterium in the cubic laves phases Th Zr~2~ D~x~","Journal of the Less-Common Metals","1986","121","","455","460","10.1016/0022-5088(86)90562-X","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008359","8.266","0.002","8.2","0.002","8.18","0.002","66.08","0.02","60.16","0.02","71.06","0.02","434.3","","","","","","","","","","","","","4","P -1","-P 1","2","","Potassium dihydrogen triiodate","","- H2 I3 K O9 -","- H I3 K O9 -","- H2 I6 K2 O18 -","2","1","","Bordet, P; Boucherle, J-X; Santoro, A; Marezio, M","Crystal structure and proton conductivity of N H~4~ H~2~ (I O~3~)~3~ and K H~2~ (I O~3~)~3~","Solid State Ionics","1986","21","","243","254","10.1016/0167-2738(86)90079-2","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008360","8.266","0.002","8.2","0.002","8.18","0.002","66.08","0.02","60.16","0.02","71.06","0.02","434.3","","","","","","","","","","","","","4","P -1","-P 1","2","","Potassium dihydrogen triiodate","","- H2 I3 K O9 -","- H2 I3 K O9 -","- H4 I6 K2 O18 -","2","1","","Bordet, P; Boucherle, J-X; Santoro, A; Marezio, M","Crystal structure and proton conductivity of N H~4~ H~2~ (I O~3~)~3~ and K H~2~ (I O~3~)~3~","Solid State Ionics","1986","21","","243","254","10.1016/0167-2738(86)90079-2","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008361","5.022","0.002","5.022","0.002","3.978","0.001","90","","90","","120","","86.9","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Lanthanum nickel deuteride (1/5/.1) - α phase","","- D0.1 La Ni5 -","- D0.096 La Ni5 -","- D0.096 La Ni5 -","1","0.0416667","","Soubeyroux, J. L.; Percheron-Guegan, A.; Achard, J. C.","Localization of hydrogen (deuterium) in α-LaNi~5~H~x~ (x = 0.1 and 0.4)","Journal of the Less-Common Metals","1987","129","","181","186","10.1016/0022-5088(87)90046-4","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","200137","2020-10-21","18:00:00",""
"1008362","5.025","0.003","5.025","0.003","3.991","0.002","90","","90","","120","","87.3","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Lanthanum nickel deuteride (1/5/.4) - α phase","","- D0.4 La Ni5 -","- D0.36 La Ni5 -","- D0.36 La Ni5 -","1","0.0416667","","Soubeyroux, J. L.; Percheron-Guegan, A.; Achard, J. C.","Localization of hydrogen (deuterium) in α-LaNi~5~H~x~ (x = 0.1 and 0.4)","Journal of the Less-Common Metals","1987","129","","181","186","10.1016/0022-5088(87)90046-4","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","200137","2020-10-21","18:00:00",""
"1008363","12.574","0.0013","12.574","0.0013","12.574","0.0013","90","","90","","90","","1988","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Hafnium iron deuteride (2/1/3)","","- D2.8 Fe Hf2 -","- D2.81 Fe Hf2 -","- D89.92 Fe32 Hf64 -","32","0.166667","","Soubeyroux, J L; Fruchart, D; Derdour, S; Vuillet, P; Rouault, A","Localization of hydrogen (deuterium) in Hf~2~ Fe D~x~","Journal of the Less-Common Metals","1987","129","","187","195","10.1016/0022-5088(87)90047-6","","","","","","0.113","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008365","20.122","0.002","20.143","0.002","12.142","0.001","90","","90","","90","","4921.4","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Sodium neodymium tetragadolinium sulfide","","- Ga4 Na Nd S8 -","- Ga4 Na Nd S8 -","- Ga64 Na16 Nd16 S128 -","16","0.5","","Ibanez, R; Gravereau, P; Garcia, A; Fouassier, C","Structural Study of Na Nd Ga~4~ S~8~, a Luminescent Material with Low- Concentration Quenching","Journal of Solid State Chemistry","1988","73","","252","258","10.1016/0022-4596(88)90076-X","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008366","8.5476","0.0002","8.5476","0.0002","20.9512","0.0007","90","","90","","120","","1325.6","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Lithium titanium indium phosphate (1.12/1.88/.12/3)","","- In0.12 Li1.12 O12 P3 Ti1.88 -","- In0.12 Li1.134 O12 P3 Ti1.88 -","- In0.72 Li6.804 O72 P18 Ti11.28 -","6","0.166667","","Tran, Qui D; Hamdoune, S; Soubeyroux, J L; Prince, E","Neutron powder diffraction study of solid solution Li~1+x~ Ti~2-x~ In~x~ P~3~ O~12~","Journal of Solid State Chemistry","1988","72","","309","315","10.1016/0022-4596(88)90034-5","","","","","","0.0302","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008367","8.5604","0.0002","8.5604","0.0002","21.0219","0.001","90","","90","","120","","1334.1","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Lithium titanium indium phosphate (1.15/1.85/.15/3)","","- In0.15 Li1.15 O12 P3 Ti1.85 -","- In0.15 Li1.152 O12 P3 Ti1.85 -","- In0.9 Li6.912 O72 P18 Ti11.1 -","6","0.166667","","Tran Qui, D; Hamdoune, S; Soubeyroux, J L; Prince, E","Neutron Powder Diffraction Study of Solid Solution Li~1+x~ Ti~2-x~ In~x~ P~3~ O~12~","Journal of Solid State Chemistry","1988","72","","309","315","10.1016/0022-4596(88)90034-5","","","","","","0.0515","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008368","7.279","0.002","13.984","0.008","17.071","0.004","90","","90.42","0.02","90","","1737.6","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricaesium cyclo-triphosphate telluric acid hydrate","","- Cs3 H8 O16 P3 Te -","- Cs3 H8 O16 P3 Te -","- Cs12 H32 O64 P12 Te4 -","4","1","","Averbuch-Pouchot, M T","Structure of a new adduct between telluric acid and a condensed phosphate: (Cs~3~ P~3~ O~9~) (Te (O H)~6~ (H~2~ O)).","Acta Crystallographica C (39,1983-)","1988","44","","1166","1168","","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008369","3.851","0.001","3.869","0.001","50.29","0.02","90","","90","","90","","749.3","","","","","","","","","","","","","4","A m m m","-A 2 2","65","","Diyttrium tetrabarium heptacuprate","","- Ba4 Cu7 O14.3 Y2 -","- Ba4 Cu7 O14.3 Y2 -","- Ba8 Cu14 O28.6 Y4 -","2","0.125","","Bordet, P; Chaillout, C; Chenavas, J; Hodeau, J L; Marezio, M; Karpinski, J; Kaldis, E","Structure Determination of the new high-temperature Superconductor Y Ba Cu O (2/4/7/14.30)","Nature (London)","1988","334","","596","598","10.1038/334596a0","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008370","13.984","0.009","8.297","0.006","15.81","0.01","90","","99.11","0.01","90","","1811.2","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(ammonium) molybdenyl diphosphate","","- H8 Mo N2 O9 P2 -","- H4 Mo N2 O9 P2 -","- H32 Mo8 N16 O72 P16 -","8","1","","Averbuch-Pouchot, M T","Structure of an ammonium molybdenyl diphosphate (N H~4~)~2~ Mo O~2~ P~2~ O~7~","Acta Crystallographica C (39,1983-)","1988","44","","2046","2048","","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008371","11.977","0.004","6.878","0.002","13.285","0.004","90","","106.5","0.02","90","","1049.3","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dibismuth tetraphosphate","","- Bi2 O13 P4 -","- Bi2 O13 P4 -","- Bi8 O52 P16 -","4","0.5","","Bagieu-Beucher, M; Averbuch-Pouchot, M-T","Crystal data and crystal structure of bismuth tetraphosphate Bi~2~ P~4~ O~13~","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","165","170","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008373","4.937","0.001","8.532","0.001","5.03","0.002","90","","109.46","0.03","90","","199.8","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Dilithium manganese(IV) trioxide","","- Li2 Mn O3 -","- Li2 Mn O3 -","- Li8 Mn4 O12 -","4","0.5","","Strobel, P; Lambert-Andron, B","Crystallographic and Magnetic Structure of Li~2~ Mn O~3~","Journal of Solid State Chemistry","1988","75","","90","98","10.1016/0022-4596(88)90305-2","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008374","6.7572","0.0001","11.4866","0.0002","5.5994","0.0001","90","","90","","90","","434.6","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Barium vanadium(IV) sulfide","","- Ba S3 V -","- Ba S3 V -","- Ba4 S12 V4 -","4","0.25","","Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F","Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~","Journal of Physics C","1986","19","","6489","6503","10.1088/0022-3719/19/33/003","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008375","6.7572","0.0001","11.4866","0.0002","5.5994","0.0001","90","","90","","90","","434.6","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Barium vanadium(IV) sulfide","","- Ba S3 V -","- Ba S3 V -","- Ba4 S12 V4 -","4","0.5","","Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F","Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~","Journal of Physics C","1986","19","","6489","6503","10.1088/0022-3719/19/33/003","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008376","6.7572","0.0001","11.4866","0.0002","5.5994","0.0001","90","","90","","90","","434.6","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Barium vanadium(IV) sulfide","","- Ba S3 V -","- Ba S3 V -","- Ba4 S12 V4 -","4","0.5","","Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F","Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~","Journal of Physics C","1986","19","","6489","6503","10.1088/0022-3719/19/33/003","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008377","6.7192","0.0001","6.7192","0.0001","5.6188","0.0001","90","","90","","120","","219.7","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Barium vanadium(IV) sulfide","","- Ba S3 V -","- Ba S3 V -","- Ba2 S6 V2 -","2","0.0833333","","Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F","Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~","Journal of Physics C","1986","19","","6489","6503","10.1088/0022-3719/19/33/003","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008380","13.724","0.009","5.314","0.001","14.702","0.008","90","","91.47","","90","","1071.9","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibarium calcium copper dichromium fluoride","","- Ba2 Ca Cr2 Cu F14 -","- Ba2 Ca Cr2 Cu F14 -","- Ba8 Ca4 Cr8 Cu4 F56 -","4","0.5","","Qiang, X; Darriet, J; Tressaud, A; Soubeyroux, J L; Hagenmuller, P","New heteronuclear trimers in fluorides with Usovite-type structure","Materials Research Bulletin","1988","23","","637","645","10.1016/0025-5408(88)90027-X","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008381","13.748","0.001","5.366","0.001","14.811","0.001","90","","91.47","","90","","1092.3","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibarium calcium copper diiron(III) fluoride","","- Ba2 Ca Cu F14 Fe2 -","- Ba2 Ca Cu F14 Fe2 -","- Ba8 Ca4 Cu4 F56 Fe8 -","4","0.5","","Qiang, X; Darriet, J; Tressaud, A; Soubeyroux, J L; Hagenmuller, P","New heteronuclear trimers in fluorides with Usovite-type structure","Materials Research Bulletin","1988","23","","637","645","10.1016/0025-5408(88)90027-X","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008382","3.8091","0.0001","3.8788","0.0001","11.6369","0.0003","90","","90","","90","","171.9","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0207","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008383","3.8093","0.0001","3.8787","0.0001","11.6376","0.0003","90","","90","","90","","171.9","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0233","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008384","3.8097","0.0001","3.8788","0.0001","11.6397","0.0003","90","","90","","90","","172","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0246","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008385","3.8097","0.0001","3.8788","0.0001","11.6409","0.0003","90","","90","","90","","172","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0231","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008386","3.8099","0.0001","3.8789","0.0001","11.6425","0.0003","90","","90","","90","","172.1","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0222","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008387","3.8102","0.0001","3.8791","0.0001","11.6445","0.0003","90","","90","","90","","172.1","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0248","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008388","3.8109","0.0001","3.8793","0.0001","11.6477","0.0003","90","","90","","90","","172.2","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0262","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008389","3.8115","0.0001","3.8795","0.0001","11.6512","0.0003","90","","90","","90","","172.3","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0239","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008390","3.8121","0.0001","3.8798","0.0001","11.6542","0.0003","90","","90","","90","","172.4","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0276","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008391","3.8128","0.0001","3.8802","0.0001","11.658","0.0003","90","","90","","90","","172.5","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0279","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008392","3.8136","0.0001","3.8806","0.0001","11.662","0.0003","90","","90","","90","","172.6","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0283","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008393","3.8143","0.0001","3.8812","0.0001","11.6662","0.0003","90","","90","","90","","172.7","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0306","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008394","3.8148","0.0001","3.8815","0.0001","11.6681","0.0003","90","","90","","90","","172.8","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0275","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008395","3.8151","0.0001","3.8817","0.0001","11.6699","0.0003","90","","90","","90","","172.8","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0298","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008396","3.8158","0.0001","3.8822","0.0001","11.6737","0.0003","90","","90","","90","","172.9","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0321","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008397","3.8177","0.0001","3.8836","0.0001","11.6827","0.0003","90","","90","","90","","173.2","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0343","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008398","3.8091","0.0001","3.8788","0.0001","11.6369","0.0003","90","","90","","90","","171.9","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0207","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008399","3.8093","0.0001","3.8787","0.0001","11.6376","0.0003","90","","90","","90","","171.9","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0232","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008400","3.8097","0.0001","3.8788","0.0001","11.6397","0.0003","90","","90","","90","","172","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0247","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008401","3.8097","0.0001","3.8788","0.0001","11.6409","0.0003","90","","90","","90","","172","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0231","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008402","3.8099","0.0001","3.8789","0.0001","11.6425","0.0003","90","","90","","90","","172.1","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0222","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008403","3.8102","0.0001","3.8791","0.0001","11.6445","0.0003","90","","90","","90","","172.1","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0249","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008404","3.8109","0.0001","3.8793","0.0001","11.6477","0.0003","90","","90","","90","","172.2","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0259","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008405","3.8115","0.0001","3.8795","0.0001","11.6512","0.0003","90","","90","","90","","172.3","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0238","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008406","3.8121","0.0001","3.8798","0.0001","11.6542","0.0003","90","","90","","90","","172.4","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0276","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008407","3.8128","0.0001","3.8802","0.0001","11.658","0.0003","90","","90","","90","","172.5","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0279","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008408","3.8136","0.0001","3.8806","0.0001","11.662","0.0003","90","","90","","90","","172.6","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0282","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008409","3.8143","0.0001","3.8812","0.0001","11.6662","0.0003","90","","90","","90","","172.7","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0304","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008410","3.8148","0.0001","3.8815","0.0001","11.6681","0.0003","90","","90","","90","","172.8","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0274","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008411","3.8151","0.0001","3.8817","0.0001","11.6699","0.0003","90","","90","","90","","172.8","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0295","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008412","3.8158","0.0001","3.8822","0.0001","11.6737","0.0003","90","","90","","90","","172.9","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008413","3.8177","0.0001","3.8836","0.0001","11.6827","0.0003","90","","90","","90","","173.2","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.91)","","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","- Ba2 Cu3 O6.91 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0341","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008414","3.8103","0.0001","3.8789","0.0001","11.6287","0.0003","90","","90","","90","","171.9","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.86)","","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0257","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008415","3.8108","0.0001","3.8789","0.0001","11.6328","0.0003","90","","90","","90","","172","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.86)","","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0262","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008416","3.8114","0.0001","3.8792","0.0001","11.6373","0.0003","90","","90","","90","","172.1","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.86)","","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0264","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008417","3.8142","0.0001","3.8807","0.0001","11.6527","0.0003","90","","90","","90","","172.5","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.86)","","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0314","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008418","3.818","0.0001","3.8835","0.0001","11.6726","0.0003","90","","90","","90","","173.1","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.86)","","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008419","3.8103","0.0001","3.8789","0.0001","11.6287","0.0003","90","","90","","90","","171.9","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.86)","","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0257","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008420","3.8108","0.0001","3.8789","0.0001","11.6328","0.0003","90","","90","","90","","172","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.86)","","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0262","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008421","3.8114","0.0001","3.8792","0.0001","11.6373","0.0003","90","","90","","90","","172.1","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.86)","","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0265","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008422","3.8142","0.0001","3.8807","0.0001","11.6527","0.0003","90","","90","","90","","172.5","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.86)","","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0312","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008423","3.818","0.0001","3.8835","0.0001","11.6726","0.0003","90","","90","","90","","173.1","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.86)","","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","- Ba2 Cu3 O6.86 Y -","1","0.125","","Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P","A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction","Solid State Communications","1988","66","","1117","1125","10.1016/0038-1098(88)90335-3","","","","","","0.0348","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008426","3.8674","0","3.8674","0","11.6687","0.0002","90","","90","","90","","174.5","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper iron oxide (1/2/2.8/.2/7.1)","","- Ba2 Cu2.77 Fe0.23 O7.13 Y -","- Ba2 Cu2.77 Fe0.23 O7.128 Y -","- Ba2 Cu2.77 Fe0.23 O7.128 Y -","1","0.0625","","Bordet, P; Hodeau, J L; Strobel, P; Marezio, M; Santoro, A","Neutron and electron diffraction study of Y Ba~2~ Cu2~2~ CU1~.77~ Fe~.23~ O~7.13~","Solid State Communications","1988","66","","435","439","10.1016/0038-1098(88)90872-1","","","","","","0.0285","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008427","13.486","0.002","10.688","0.001","6.8616","0.0007","90","","90","","90","","989","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Caesium titanium oxide arsenate","","- As Cs O5 Ti -","- As Cs O5 Ti -","- As8 Cs8 O40 Ti8 -","8","2","","Protas, J; Marnier, G; Boulanger, B; Menaert, B","Structure cristalline de Cs Ti O (As O~4~)","Acta Crystallographica C (39,1983-)","1989","45","","1123","1125","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008428","15.753","0.006","15.753","0.006","15.753","0.006","90","","90","","90","","3909.2","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Potassium cyclo-hexaphosphate","","- K6 O18 P6 -","- K6 O18 P6 -","- K48 O144 P48 -","8","0.333333","","Averbuch-Pouchot, M T","Crystal chemistry of cyclo-hexaphosphates. I. Structure of anhydrous potassium cyclo-hexaphosphate","Acta Crystallographica C (39,1983-)","1989","45","","1273","1275","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008429","14.144","0.004","5.995","0.002","15.5","0.004","90","","90","","90","","1314.3","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Caesium triphosphidosilicate","","- Cs5 P3 Si -","- Cs5 P3 Si -","- Cs20 P12 Si4 -","4","0.5","","Eisenmann, B; Klein, J; Somer, M","C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~ Ge P~3~ und Cs~5~ Ge As~3~","Angewandte Chemie (German Edition)","1990","102","","92","93","10.1002/ange.19901020127","","","","","","0.0569","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008430","14.467","0.004","6.043","0.002","15.82","0.004","90","","90","","90","","1383","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Caesium triarsenidosilicate","","- As3 Cs5 Si -","- As3 Cs5 Si -","- As12 Cs20 Si4 -","4","0.5","","Eisenmann, B; Klein, J; Somer, M","C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~ Ge P~3~ und Cs~5~ Ge As~3~","Angewandte Chemie (German Edition)","1990","102","","92","93","10.1002/ange.19901020127","","","","","","0.0539","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008431","14.311","0.004","5.994","0.002","15.618","0.004","90","","90","","90","","1339.7","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Caesium triphosphidogermanate","","- Cs5 Ge P3 -","- Cs5 Ge P3 -","- Cs20 Ge4 P12 -","4","0.5","","Eisenmann, B; Klein, J; Somer, M","C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~ Ge P~3~ und Cs~5~ Ge As~3~","Angewandte Chemie (German Edition)","1990","102","","92","93","10.1002/ange.19901020127","","","","","","0.0829","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008432","14.615","0.004","6.045","0.002","15.964","0.004","90","","90","","90","","1410.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Caesium triarsenidogermanate","","- As3 Cs5 Ge -","- As3 Cs5 Ge -","- As12 Cs20 Ge4 -","4","0.5","","Eisenmann, B; Klein, J; Somer, M","C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~ Ge P~3~ und Cs~5~ Ge As~3~","Angewandte Chemie (German Edition)","1990","102","","92","93","10.1002/ange.19901020127","","","","","","0.0765","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008433","7.286","0.005","9.761","0.007","10.026","0.006","118.31","0.05","110.62","0.05","86.27","0.05","583","","","","","","","","","","","","","5","P -1","-P 1","2","","Dilithium dimanganese cyclo-hexaphosphate decahydrate","","- H20 Li2 Mn2 O28 P6 -","- H40 Li2 Mn2 O28 P6 -","- H40 Li2 Mn2 O28 P6 -","1","0.5","","Averbuch-Pouchot, M T","Crystal chemistry of cyclo-hexaphosphates. III. Structure of dilithium dimanganese cyclo-hexaphosphate decahydrate","Acta Crystallographica C (39,1983-)","1989","45","","1856","1858","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008434","5.894","0.001","5.894","0.001","43.742","0.006","90","","90","","120","","1316","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Barium cobalt hexairon(III) oxide","","- Ba Co Fe6 O11 -","- Ba Co1.005 Fe5.995 O11 -","- Ba6 Co6.03 Fe35.97 O66 -","6","0.166667","","Collomb, A; Hadj Farhat, M A; Joubert, J C","Cobalt Location in the Y-Type Hexagonal Ferrite : Ba Co Fe~6~ O~11~","Materials Research Bulletin","1989","24","","453","458","10.1016/0025-5408(89)90027-5","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008436","9.67","0.005","14.231","0.01","6.265","0.005","90","","100.1","0.07","90","","848.8","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Caesium hydrogen molybdatodiphosphate","","- Cs H Mo O9 P2 -","- Cs H Mo O9 P2 -","- Cs4 H4 Mo4 O36 P8 -","4","1","","Averbuch-Pouchot, M T","Synthesis and Crystal Structure of Cs H Mo O~2~ (P~2~ O~7~)","Journal of Solid State Chemistry","1989","79","","296","299","10.1016/0022-4596(89)90279-X","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008437","5.947","0.001","5.947","0.001","35.83","0.01","90","","90","","120","","1097.4","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sodium iron oxide (2.4/11/16)","","- Fe10.99 Na2.4 O16.03 -","- Fe10.988 Na2.4 O16.03 -","- Fe32.964 Na7.2 O48.09 -","3","0.0833333","","Vincent, H; Bekka, A; Anne, M; Joubert, J C","Synthese, structure cristalline,conductivite ionique, et proprietes magnetiques d'un nouveau ferrite de type alumine $+beta"" Na~1.3~ K~.6~ Fe~10.1~ Zn~.9~ O~17~","Journal of Solid State Chemistry","1989","81","","181","191","10.1016/0022-4596(89)90005-4","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008439","5.9442","0.0008","5.9442","0.0008","32.875","0.005","90","","90","","120","","1006","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Strontium zinc manganese(II) iron manganese(III) iron(III) oxide (1/.66/.86/.45/.58/15.45/27)","","- Fe15.9 Mn1.44 O27 Sr Zn0.66 -","- Fe15.9 Mn1.44 O27 Sr Zn0.66 -","- Fe31.8 Mn2.88 O54 Sr2 Zn1.32 -","2","0.0833333","","Collomb, A; Litsardakis, G; Samaras, D; Pannetier, J","Neutron diffraction studies of the crystallographic and magnetic structures of SrZn~2/3~ Mn~4/3~ Fe~16~ O~27~","Journal of Magnetism and Magnetic Materials","1989","78","","219","225","10.1016/0304-8853(89)90271-0","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008440","4.103","0.003","17.04","0.03","4.016","0.003","90","","90","","90","","280.8","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Praseodymium iron silicide (1/1/2)","","- Fe Pr Si2 -","- Fe Pr Si2 -","- Fe4 Pr4 Si8 -","4","0.25","","Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P","Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","7","4700","4712","10.1103/PhysRevB.41.4700","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008441","4.103","0.003","17.04","0.03","4.016","0.003","90","","90","","90","","280.8","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Praseodymium iron silicide (1/1/2)","","- Fe Pr Si2 -","- Fe Pr Si2 -","- Fe4 Pr4 Si8 -","4","0.25","","Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P","Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","7","4700","4712","10.1103/PhysRevB.41.4700","","","","","","0.007","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008442","4.082","0.003","16.98","0.03","4.004","0.003","90","","90","","90","","277.5","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Neodymium iron silicide (1/1/2)","","- Fe Nd Si2 -","- Fe Nd Si2 -","- Fe4 Nd4 Si8 -","4","0.25","","Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P","Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","7","4700","4712","10.1103/PhysRevB.41.4700","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008443","4.072","0.001","16.896","0.004","3.996","0.001","90","","90","","90","","274.9","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Neodymium iron silicide (1/1/2)","","- Fe Nd Si2 -","- Fe Nd Si2 -","- Fe4 Nd4 Si8 -","4","0.25","","Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P","Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","7","4700","4712","10.1103/PhysRevB.41.4700","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008444","4.072","0.001","16.896","0.004","3.996","0.001","90","","90","","90","","274.9","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Neodymium iron silicide (1/1/2)","","- Fe Nd Si2 -","- Fe Nd Si2 -","- Fe4 Nd4 Si8 -","4","0.25","","Malaman, B; Venturini, G; Le Caer, G; Pontonnier, L; Fruchart, D; Tomala, K; Sanchez, J P","Magnetic structures of Pr Fe Si~2~ and Nd Fe Si~2~ from neutron and Moessbauer studies","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1990","41","7","4700","4712","10.1103/PhysRevB.41.4700","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008445","6.6573","0.0002","6.6573","0.0002","5.3862","","90","","90","","90","","238.7","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Zirconium nickel deuteride (2/1/2.23)","","- D2.23 Ni Zr2 -","- D2.228 Ni Zr2 -","- D8.912 Ni4 Zr8 -","4","0.125","","Chikdene, A; Baudry, A; Boyer, P; Miraglia, S; Fruchart, D; Soubeyroux, J L","Neutron diffraction studies of Zr~2~NiH(D)~x~ hydrides","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1989","163","","219","224","","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008446","6.7357","0.0002","6.7357","0.0002","5.4752","0.0002","90","","90","","90","","248.4","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Zirconium nickel deuteride (2/1/3.78)","","- D3.78 Ni Zr2 -","- D3.776 Ni Zr2 -","- D15.104 Ni4 Zr8 -","4","0.125","","Chikdene, A; Baudry, A; Boyer, P; Miraglia, S; Fruchart, D; Soubeyroux, J L","Neutron diffraction studies of Zr~2~NiH(D)~x~ hydrides","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1989","163","","219","224","","","","","","","0.0762","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008447","6.828","0.0003","6.828","0.0003","5.6862","0.0002","90","","90","","90","","265.1","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Zirconium nickel deuteride (2/1/7.16)","","- D7.16 Ni Zr2 -","- D7.162 Ni Zr2 -","- D28.648 Ni4 Zr8 -","4","0.125","","Chikdene, A; Baudry, A; Boyer, P; Miraglia, S; Fruchart, D; Soubeyroux, J L","Neutron diffraction studies of Zr~2~NiH(D)~x~ hydrides","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1989","163","","219","224","","","","","","","0.0978","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008448","3.8415","0.0003","3.8707","0.0003","27.24","0.002","90","","90","","90","","405","","","","","","","","","","","","","4","A m m m","-A 2 2","65","","Yttrium barium copper oxide (1/2/4/8.1)","","- Ba2 Cu4 O8.06 Y -","- Ba2 Cu4 O8.056 Y -","- Ba4 Cu8 O16.112 Y2 -","2","0.125","","Karpinski, J; Kaldis, E; Rusiecki, S; Jilek, E; Fischer, P; Bordet, P; Chaillout, C; Chenavas, J; Hodeau, J L; Marezio, M","Two New Bulk Superconducting Phases in the Y-Ba-Cu-O System: Y Ba~2~ Cu~3.5~ O~7+x~ (T~c~ 40K) and Y Ba~2~ Cu~4~ O~8+x~ (T~c~ 80K)","Journal of the Less-Common Metals","1989","150","","129","137","10.1016/0022-5088(89)90262-2","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008449","14.59","0.01","14.59","0.01","14.59","0.01","90","","90","","90","","3105.7","","","","","","","","","","","","","5","I a -3","-I 2b 2c 3","206","","Tris(guanidinium) diberyllium fluoride","","- C3 H18 Be2 F7 N9 -","- C3 H18 Be2 F7 N9 -","- C24 H144 Be16 F56 N72 -","8","0.166667","","Aleonard, S; Gorius, M","Structure cristalline du pyrofluoroberyllate de guanidinium (C N~3~ H~6~)~3~ Be~2~ F~7~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1989","309","","683","687","","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008450","15.8476","0.0002","15.8476","0.0002","15.8476","0.0002","90","","90","","90","","3980.1","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Tristrontium cyclo-hexaaluminate","","- Al6 O18 Sr9 -","- Al6 O18 Sr9 -","- Al48 O144 Sr72 -","8","0.333333","","Alonso, J A; Rasines, I; Soubeyroux, J L","Tristrontium dialuminium hexaoxide: An intricate superstructure of perovskite","Inorganic Chemistry","1990","29","","4768","4771","10.1021/ic00348a035","","","","","","0.0329","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008451","6.243","0.001","11.154","0.003","7.862","0.002","90","","107.48","0.02","90","","522.2","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Telluric acid bis(caesium chloride)","","- Cl2 Cs2 H6 O6 Te -","- Cl2 Cs2 H6 O6 Te -","- Cl4 Cs4 H12 O12 Te2 -","2","0.5","","Averbuch-Pouchot, M T","Crystal structure of a new telluric acid adduct : Te(OH)~6~ 2CsCl","Zeitschrift fuer Kristallographie (149,1979-)","1988","182","","291","295","10.1524/zkri.1988.182.1-4.291","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008452","11.652","0.004","8.152","0.002","32.57","0.01","90","","90","","90","","3093.7","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Potassium gadolinium fluoride (0.3/0.7/2.5)","","- F2.47 Gd0.735 K0.265 -","- F2.46875 Gd0.735 K0.265 -","- F158 Gd47.04 K16.96 -","64","4","","Le Fur, Y; Aleonard, S; Gorius, M F; Roux, M T","Structure cristalline de K~0.265~Gd~0.735~ F~2.47~","Zeitschrift fuer Kristallographie (149,1979-)","1988","182","","281","290","10.1524/zkri.1988.182.1-4.281","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008453","8.5271","0.0004","8.5271","0.0004","21.32","0.001","90","","90","","120","","1342.5","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Copper(I) dititanium tris(phosphate)","","- Cu O12 P3 Ti2 -","- Cu1.0002 O12 P3 Ti2 -","- Cu6.0012 O72 P18 Ti12 -","6","0.166667","","Mbandza, A; Bordes, E; Courtine, P; El Jazouli, A; Soubeyroux, J L; Le Flem, G; Hagenmueller, P","The Nasicon-type copper(I) titanium phosphate CuTi~2~(PO~4~)~3~: structure and chemical properties","Reactivity of Solids","1988","5","","315","321","10.1016/0168-7336(88)80030-5","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008454","12.821","","12.537","0.006","7.029","0.002","90","","90","","90","","1129.8","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Dicalcium diammonium cyclo-hexaphosphate hexahydrate","","- Ca2 H20 N2 O24 P6 -","- Ca2 H20 N2 O24 P6 -","- Ca4 H40 N4 O48 P12 -","2","0.5","","Averbuch-Pouchot, M T","Crystal chemistry of cyclo-Hexaphosphates. XII. Structure of Ammonium Calcium cyclo-Hexaphosphate Hexahydrate","Acta Crystallographica C (39,1983-)","1990","46","","2005","2007","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","186518","2020-10-21","18:00:00",""
"1008455","8.7485","","8.7485","","11.9863","","90","","90","","90","","917.4","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Holmium iron boride (2/14/1)","","- B Fe14 Ho2 -","- B Fe14 Ho2 -","- B4 Fe56 Ho8 -","4","0.25","","Wolfers, P; Miraglia, S; Fruchart, D; Hirosawa, S; Sagawa, M; Bartolome, J; Pannetier, J","Low temperature crystal and magnetic structures of Ho~2~Fe~14~B","Journal of the Less-Common Metals","1990","162","","237","249","10.1016/0022-5088(90)90340-P","","","","","","0.0425","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008456","8.5363","0.0006","8.5363","0.0006","8.3519","0.0007","90","","90","","120","","527.1","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Holmium iron deuteride (1.9/17.2/3.4)","","- D3.4 Fe17.2 Ho1.9 -","- D3.396 Fe17.17 Ho1.914 -","- D6.792 Fe34.34 Ho3.828 -","2","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D","Neutron diffraction study of the structural and magnetic propertiesof the R~2~Fe~17~H~x~(D~x~) ternary compounds (R=Ce, Nd and Ho)","Journal of the Less-Common Metals","1990","162","","273","284","10.1016/0022-5088(90)90343-I","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008457","8.499","0.001","8.499","0.001","8.31","0.001","90","","90","","120","","519.8","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Holmium iron deuteride (1.9/17.2/3.4)","","- D3.4 Fe17.2 Ho1.9 -","- D3.396 Fe17.17 Ho1.914 -","- D6.792 Fe34.34 Ho3.828 -","2","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D","Neutron diffraction study of the structural and magnetic properties of the R~2~Fe~17~H~x~(D~x~) ternary compounds (R=Ce,Nd and Ho)","Journal of the Less-Common Metals","1990","162","","273","284","10.1016/0022-5088(90)90343-I","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008458","8.68","0.001","8.68","0.001","12.525","0.001","90","","90","","120","","817.2","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Neodymium iron deuteride (2/17/4.55)","","- D4.55 Fe17 Nd2 -","- D4.548 Fe17 Nd2 -","- D13.644 Fe51 Nd6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D","Neutron diffraction study of the structural and magnetic properties of the R~2~Fe~17~H~x~(D~x~) ternary compounds (R=Ce,Nd and Ho)","Journal of the Less-Common Metals","1990","162","","273","284","10.1016/0022-5088(90)90343-I","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008459","8.482","0.001","8.482","0.001","12.395","0.002","90","","90","","120","","772.3","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Cerium iron deuteride (2/17/4.7)","","- Ce2 D4.7 Fe17 -","- Ce2 D4.704 Fe17 -","- Ce6 D14.112 Fe51 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D","Neutron diffraction study of the structural and magnetic properties of the R~2~Fe~17~H~x~(D~x~) ternary compounds (R=Ce,Nd and Ho)","Journal of the Less-Common Metals","1990","162","","273","284","10.1016/0022-5088(90)90343-I","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008460","3.7541","0.0001","5.7442","0.0001","11.3019","0.0002","90","","90","","90","","243.7","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Dierbium barium catena-niccolate","","- Ba Er2 Ni O5 -","- Ba Er2 Ni O4.99 -","- Ba2 Er4 Ni2 O9.98 -","2","0.125","","Alonso, J A; Amador, J; Rasines, I; Soubeyroux, J L","Er~2~BaNiO~5~: Structure refinement using neutron powder diffraction data","Acta Crystallographica C (39,1983-)","1991","47","","249","251","","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008461","13.966","0.004","5.582","0.002","15.256","0.004","90","0","90","0","90","0","1189.3","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pentarubidium triphosphidogermanate","","- Ge P3 Rb5 -","- Ge P3 Rb5 -","- Ge4 P12 Rb20 -","4","0.5","","Eisenmann, B; Klein, J; Somer, M","Crystal structure of pentarubidium triphosphidogermanate","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","263","264","","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008462","13.466","0.005","7.529","0.004","8.177","0.005","90","0","90.5","0.1","90","0","829","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Decasodium di-μ-arsenido-bis(diarsenidosilicate)","","- As6 Na10 Si2 -","- As6 Na10 Si2 -","- As12 Na20 Si4 -","2","0.5","","Eisenmann, B.; Klein, J.; Somer, M.","Crystal structure of decasodium di-μ-arsenidobis(diarsenidosilicate), Na~10~Si~2~As~6~","Zeitschrift für Kristallographie","1991","197","1-4","267","268","10.1524/zkri.1991.197.14.267","","","","","","0.087","","","","","","","","","","","","","","","has coordinates","200128","2020-10-21","18:00:00",""
"1008463","13.4","0.005","7.456","0.004","8.289","0.005","90","0","90.2","0.1","90","0","828.2","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Decasodium di-μ-phosphido-bis(diphosphidostannate(IV))","","- Na10 P6 Sn2 -","- Na10 P6 Sn2 -","- Na20 P12 Sn4 -","2","0.5","","Eisenmann, B.; Klein, J.; Somer, M.","Crystal structure of decasodium di-μ-phosphidobis(diphosphidostannate(IV)), Na~10~Sn~2~P~6~","Zeitschrift für Kristallographie","1991","197","3-4","269","270","10.1524/zkri.1991.197.3-4.269","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008464","14.169","0.004","5.671","0.002","15.479","0.004","90","0","90","0","90","0","1243.8","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pentarubidium triarsenidosilicate","","- As3 Rb5 Si -","- As3 Rb5 Si -","- As12 Rb20 Si4 -","4","0.5","","Eisenmann, B; Klein, J; Somer, M","Crystal structure of pentarubidium triarsenidosilicate","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","273","274","","","","","","","0.0842","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008465","9.787","0.004","7.395","0.003","6.168","0.002","90","0","90","0","90","0","446.4","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Dipotassium catena-phosphidoaurate","","- Au K2 P -","- Au K2 P -","- Au4 K8 P4 -","4","0.25","","Eisenmann, B; Klein, J; Somer, M","Crystal structure of dipotassium catena-phosphidoaurate","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","277","278","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008466","14.58","0.004","4.75","0.002","13.02","0.004","90","0","90","0","90","0","901.7","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Trisodium dipotassium triphosphidosilicate","","- K2 Na3 P3 Si -","- K2 Na3 P3 Si -","- K8 Na12 P12 Si4 -","4","0.5","","Eisenmann, B; Klein, J; Somer, M","Crystal structure of trisodium dipotassium triphosphidosilicate","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","275","276","","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008467","15.161","0.004","4.813","0.002","13.168","0.004","90","0","90","0","90","0","960.9","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tetrasodium potassium triarsenidogermanate","","- As3 Ge K Na4 -","- As3 Ge K Na4 -","- As12 Ge4 K4 Na16 -","4","0.5","","Eisenmann, B; Klein, J","Crystal structure of tetrasodium monopotassium triarsenidogermanate","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","279","280","","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008468","4.204","0.002","4.204","0.002","26.728","0.009","90","","90","","120","","409.1","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Strontium ditin arsenide","","- As2 Sn2 Sr -","- As2 Sn2 Sr -","- As6 Sn6 Sr3 -","3","0.166667","","Eisenmann, B; Klein, J","Zintl-Phasen mit Schichtanionen: Darstellung und Kristallstrukturender isotypen Verbindungen SrSn~2~As~2~ und Sr~0.87~Ba~0.13~Sn~2~As~2~ sowie eine Einkristallstrukturbestimmung von KSnSb","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","598","","93","102","10.1002/zaac.19915980109","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008469","4.227","0.002","4.227","0.002","26.878","0.009","90","","90","","120","","415.9","","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","Strontium barium tin arsenide (0.87/0.13/2/2)","","- As2 Ba0.13 Sn2 Sr0.87 -","- As2 Ba0.13 Sn2 Sr0.87 -","- As6 Ba0.39 Sn6 Sr2.61 -","3","0.166667","","Eisenmann, B; Klein, J","Zintl-Phasen mit Schichtanionen: Darstellung und Kristallstrukturender isotypen Verbindungen SrSn~2~As~2~ und Sr~0.87~Ba~0.13~Sn~2~As~2~ sowie eine Einkristallstrukturbestimmung von KSnSb","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","598","","93","102","10.1002/zaac.19915980109","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008470","4.35","0.002","4.35","0.002","13.141","0.005","90","","90","","120","","215.3","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Potassium tin antimonide","","- K Sb Sn -","- K Sb Sn -","- K2 Sb2 Sn2 -","2","0.166667","","Eisenmann, B; Klein, J","Zintl-Phasen mit Schichtanionen: Darstellung und Kristallstrukturender isotypen Verbindungen SrSn~2~As~2~ und Sr~0.87~Ba~0.13~Sn~2~As~2~ sowie eine Einkristallstrukturbestimmung von KSnSb","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","598","","93","102","10.1002/zaac.19915980109","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008471","8.755","","8.755","","11.99","","90","","90","","90","","919","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Holmium iron boride (2/14/1)","","- B Fe14 Ho2 -","- B Fe14 Ho2 -","- B4 Fe56 Ho8 -","4","0.25","","Wolfers, P; Miraglia, S; Fruchart, D; Hirosawa, S; Sagawa, M; Bartolome, J; Pannetier, J","Low temperature crystal and magnetic structures of Ho~2~ Fe~14~B","Journal of the Less-Common Metals","1990","162","","237","249","10.1016/0022-5088(90)90340-P","","","","","","0.0379","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008472","8.77","","8.77","","12.016","","90","","90","","90","","924.2","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Holmium iron boride (2/14/1)","","- B Fe14 Ho2 -","- B Fe14 Ho2 -","- B4 Fe56 Ho8 -","4","0.25","","Wolfers, P; Miraglia, S; Fruchart, D; Hirosawa, S; Sagawa, M; Bartolome, J; Pannetier, J","Low temperature crystal and magnetic structures of Ho~2~ Fe~14~B","Journal of the Less-Common Metals","1990","162","","237","249","10.1016/0022-5088(90)90340-P","","","","","","0.0601","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008477","3.834","0.0004","3.834","0.0004","12.5874","0.0013","90","","90","","90","","185","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Distrontium vanadium(IV) oxide","","- O4 Sr2 V -","- O4 Sr2 V -","- O8 Sr4 V2 -","2","0.0625","","Cyrot, M; Lambert Andron, B; Soubeyroux, J L; Rey, M J; Dehauht, P; Cyrot Lackmann, F; Fourcaudot, G; Beille, J; Tholence, J L","Properties of a new perovskite oxide Sr~2~VO~4~","Journal of Solid State Chemistry","1990","85","","321","325","10.1016/S0022-4596(05)80090-8","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008478","10.265","","10.265","","10.265","","90","","90","","90","","1081.6","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Bismuth bismuth(V) vanadium oxide (12/.7/.05/20)","","- Bi12.675 O20 V0.045 -","- Bi12.675 O20 V0.045 -","- Bi25.35 O40 V0.09 -","2","0.0833333","","Soubeyroux, J L; Devalette, M; Khachani, N; Hagenmueller, P","Etude par diffraction neutronique de la phase Bi~12~(Bi~0.75~^V^V~0.05~^V^x~0.20~)O~ ~2~0~ de structure sillenite","Journal of Solid State Chemistry","1990","86","","59","63","10.1016/0022-4596(90)90113-C","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008479","5.9401","0.0001","5.9401","0.0001","35.731","0.012","90","","90","","120","","1091.9","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Iron(III) sodium zinc hydrogen oxide hydrate (10/1.6/1/0.5/17/1)","","- Fe9.96 H2.47 Na1.61 O17.97 Zn0.99 -","- Fe9.96 H0.206 Na1.608 O17.97 Zn0.99 -","- Fe29.88 H0.618 Na4.824 O53.91 Zn2.97 -","3","0.0833333","","Nicolopoulos, S; Vincent, H; Anne, M; Joubert, J C","Variation in crystal structure, ionic conductivity and magnetic properties with the water uptake of a new hydrated sodium $-beta"" ferrite","Journal of Solid State Chemistry","1990","87","","298","307","10.1016/0022-4596(90)90032-S","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008480","7.709","0.001","11.028","0.006","9.231","0.002","108.25","0.05","110.06","0.05","79.77","0.05","697.9","","","","","","","","","","","","","5","P -1","-P 1","2","","Dicadmium disodium cyclo-hexaphosphate 14-hydrate","","- Cd2 H28 Na2 O32 P6 -","- Cd2 H56 Na2 O32 P6 -","- Cd2 H56 Na2 O32 P6 -","1","0.5","","Averbuch-Pouchot, M T","Crystal chemistry of cyclo-hexaphosphates. V. Structure of cadmium sodium cyclo-hexaphosphate tetradecahydrate","Acta Crystallographica C (39,1983-)","1990","46","","10","13","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008481","3.7793","0.0006","3.7793","0.0006","13.2","0.003","90","","90","","90","","188.5","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Lanthanum strontium copper oxide (1.8/.2/1/4)","","- Cu La1.85 O4 Sr0.15 -","- Cu La1.85 O4 Sr0.15 -","- Cu2 La3.7 O8 Sr0.3 -","2","0.0625","","Decroux, M; Junod, A; Bezinge, A; Cattani, D; Cors, J; Jorda, L; Stettler, A; Francois, M; Yvon, K; Fischer, O; Muller, J","Structure, Resistivity, Critical Field, Specific-Heat Jump at T~c~, Meissner Effect, a.c. and d.c. Susceptibility of the High-Temperature Superconductor La~2-x~ Sr~x~ Cu O~4~.","Europhysics Letters","1987","3","","1035","1040","10.1209/0295-5075/3/9/012","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008488","6.538","0.002","3.793","0.002","4.082","0.002","90","","90","","90","","101.2","","","","","","","","","","","","","2","P m m m","-P 2 2","47","","Erbium silicide (2/3.3)","","- Er2 Si3.333 -","- Er2 Si3.334 -","- Er2 Si3.334 -","1","0.125","","Auffret, S.; Pierre, J.; Lambert, B.; Soubeyroux, J. L.; Chroboczek, J. A.","Crystallographic and magnetic structures of Er~3~Si~5~","Physica B: Condensed Matter","1990","162","3","271","280","10.1016/0921-4526(90)90022-M","","","","","","0.082","","","","","","","","","","","","","","","has coordinates","174782","2020-10-21","18:00:00",""
"1008489","5.444","0.01","5.495","0.01","19.49","0.03","90","","90","","90","","583","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Trilead tristrontium copper(I) dicopper octaoxide chloride","","- Cl Cu3 O8 Pb3 Sr3 -","- Cl Cu3 O8 Pb3 Sr3 -","- Cl2 Cu6 O16 Pb6 Sr6 -","2","0.125","","Cava, R. J.; Bordet, P.; Capponi, J. J.; Chaillout, C.; Chenavas, J.; Fournier, T.; Hewat, E. A.; Hodeau, J. L.; Levy, J. P.; Marezio, M.; Batlogg, B.; Rupp, Jr, L. W.","Pb~3~Sr~3~Cu~3~O~8+δ~Cl: a new layered copper oxychloride","Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands)","1990","167","1-2","67","74","10.1016/0921-4534(90)90487-Y","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","200133","2020-10-21","18:00:00",""
"1008490","3.842","0.001","3.878","0.001","11.765","0.002","90","","90","","90","","175.3","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Yttrium barium copper gold oxide (1/2/2.9/0.1/6.5)","","- Au0.099 Ba2 Cu2.901 O6.5 Y -","- Au0.099 Ba2 Cu2.901 O5.5 Y -","- Au0.099 Ba2 Cu2.901 O5.5 Y -","1","0.125","","Renevier, H; Hodeau, J L; Fournier, T; Bordet, P; Marezio, M","Gold effect on chemical bonding in YBa~2~(Cu~1-y~,Au~y~)4/3O~6+x~","Physica C (Amsterdam) (152,1988-)","1990","172","","183","189","10.1016/0921-4534(90)90658-2","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008491","10.287","","10.287","","10.287","","90","","90","","90","","1088.6","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Hydrogen antimony(V) tellurate hydrate","","- H3 O7 Sb Te -","- H5.0006 O7 Sb Te -","- H40.0048 O56 Sb8 Te8 -","8","0.0416667","","Pontonnier, L; Fruchart, D; Fournier, T; Vaillant, F","Relationships between structural and electric properties of pure and mixed protonic conductors","Solid State Ionics","1990","37","","307","316","10.1016/0167-2738(90)90193-U","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008492","13.773","0.004","5.384","0.001","14.929","0.002","90","","91.27","0.03","90","","1106.8","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Barium calcium cobalt iron(III) fluoride (2/1.1/0.9/2/14)","","- Ba2 Ca1.072 Co0.928 F14 Fe2 -","- Ba2 Ca1.072 Co0.928 F14 Fe2 -","- Ba8 Ca4.288 Co3.712 F56 Fe8 -","4","0.5","","Le Lirzin, A; Quiang, X; Darriet, J; Soubeyroux, J L; Kaiser, V; Pebler, J; Babel, D","Structural and magnetic properties of 1D bimetallic chains in Ba~2~CaCoFe~2~F~14~ and Ba~2~CaCoCr~2~F~14~","European Journal of Solid State Inorganic Chemistry","1990","27","","791","803","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008493","13.78","0.004","5.395","0.001","14.97","0.002","90","","91.22","0.03","90","","1112.7","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Barium calcium cobalt iron(III) fluoride (2/1.2/0.8/2/14)","","- Ba2 Ca1.17 Co0.83 F14 Fe2 -","- Ba2 Ca1.17 Co0.83 F14 Fe2 -","- Ba8 Ca4.68 Co3.32 F56 Fe8 -","4","0.5","","Le Lirzin, A; Quiang, X; Darriet, J; Soubeyroux, J L; Kaiser, V; Pebler, J; Babel, D","Structural and magnetic properties of 1D bimetallic chains in Ba~2~CaCoFe~2~F~14~ and Ba~2~CaCoCr~2~F~14~","European Journal of Solid State Inorganic Chemistry","1990","27","","791","803","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008494","12.062","0.001","14.679","0.001","11.816","0.001","90","","97.31","0.01","90","","2075.1","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tetracarbonylbis(pentacarbonylrhenio)iron","","- C14 Fe O14 Re2 -","- C14 Fe O14 Re2 -","- C56 Fe4 O56 Re8 -","4","0.5","","Agron, P A; Ellison, R D; Levy, H A","Structure of iron dirhenium tetradecacarbonyl, (Re(CO)~5~Fe(CO)~4~Re(CO)~5~)","Acta Crystallographica C (39,1983-)","1991","47","","913","916","","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008496","19.052","0.01","19.052","0.01","19.052","0.01","90","","90","","90","","6915.5","","","","","","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","Dichromium cyclo-hexaphosphate 21-water","","- Cr2 H42 O39 P6 -","- Cr2 H75.75 O39 P6 -","- Cr16 H606 O312 P48 -","8","0.333333","","Bagieu-Bacher, M; Averbuch-Pouchot, M T; Rzaigui, M","Crystal chemistry of cyclo-hexaphosphates.XVII.Structure of chromium cyclo-hexaphosphate henicosahydrate","Acta Crystallographica C (39,1983-)","1991","47","","1364","1366","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008497","12.45","0.008","12.755","0.008","8.154","0.006","90","","90","","90","","1294.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Ammonium cyclo-trithiohexaoxotriphosphate","","- H12 N3 O6 P3 S3 -","- H12 N3 O6 P3 S3 -","- H48 N12 O24 P12 S12 -","4","0.5","","Meisel, M; Wolf, G U; Averbuch-Pouchot, M T","Structure of ammonium trithio-cyclo-triphosphate","Acta Crystallographica C (39,1983-)","1991","47","","1368","1370","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008498","9.317","0.004","9.72","0.004","6.685","0.003","90","","91.95","0.02","90","","605.1","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tristrontium copper platinum(IV) oxide","","- Cu O6 Pt Sr3 -","- Cu O6 Pt Sr3 -","- Cu4 O24 Pt4 Sr12 -","4","0.5","","Hodeau, J L; Tu, H Y; Bordet, P; Fournier, T; Strobel, P; Marezio, M; Chandrashekhar, G V","Structure and twinning of Sr~3~CuPtO~6~","Acta Crystallographica B (39,1983-)","1992","48","","1","11","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008499","10.203","0.001","10.203","0.001","6.611","0.001","90","","90","","90","","688.2","","300","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Thorium iron carbide (1/11/1.4)","","- C1.5 Fe11 Th -","- C1.384 Fe11 Th -","- C5.536 Fe44 Th4 -","4","0.125","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2)","Journal of Physics: Condensed Matter","1992","4","","6367","6374","10.1088/0953-8984/4/30/003","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1008500","10.249","0.001","10.249","0.001","6.649","","90","","90","","90","","698.4","","300","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Thorium iron carbide (1/11/1.8)","","- C2 Fe11 Th -","- C1.784 Fe11 Th -","- C7.136 Fe44 Th4 -","4","0.125","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2)","Journal of Physics: Condensed Matter","1992","4","","6367","6374","10.1088/0953-8984/4/30/003","","","","","","0.007","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1008501","10.191","0.001","10.191","0.001","6.609","0.001","90","","90","","90","","686.4","","300","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Thorium iron carbide (1/11/1.3)","","- C1.35 Fe11 Th -","- C1.288 Fe11 Th -","- C5.152 Fe44 Th4 -","4","0.125","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2)","Journal of Physics: Condensed Matter","1992","4","","6367","6374","10.1088/0953-8984/4/30/003","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1008502","10.19","0.001","10.19","0.001","6.592","0.001","90","","90","","90","","684.5","","2","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Thorium iron carbide (1/11/1.3)","","- C1.5 Fe11 Th -","- C1.256 Fe11 Th -","- C5.024 Fe44 Th4 -","4","0.125","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2)","Journal of Physics: Condensed Matter","1992","4","","6367","6374","10.1088/0953-8984/4/30/003","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1008503","10.262","0.001","10.262","0.001","6.656","0.001","90","","90","","90","","700.9","","2","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Thorium iron carbide (1/11/1.8)","","- C2 Fe11 Th -","- C1.768 Fe11 Th -","- C7.072 Fe44 Th4 -","4","0.125","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2)","Journal of Physics: Condensed Matter","1992","4","","6367","6374","10.1088/0953-8984/4/30/003","","","","","","0.01","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1008504","10.174","0.001","10.174","0.001","6.581","0.001","90","","90","","90","","681.2","","2","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Thorium iron carbide (1/11/1.3)","","- C1.35 Fe11 Th -","- C1.336 Fe11 Th -","- C5.344 Fe44 Th4 -","4","0.125","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2)","Journal of Physics: Condensed Matter","1992","4","","6367","6374","10.1088/0953-8984/4/30/003","","","","","","0.014","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1008505","5.8723","0.0001","5.8723","0.0001","43.556","0.002","90","","90","","120","","1300.8","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Barium zinc iron(III) oxide (.99/.94/6.02/11)","","- Ba0.99 Fe6.02 O11 Zn0.94 -","- Ba0.99 Fe6.02 O11 Zn0.94 -","- Ba5.94 Fe36.12 O66 Zn5.64 -","6","0.166667","","Muller, J; Collomb, A; Fournier, T; Harrowfield, I; Samaras, D","Composition and structure of some (Ba~1-p~Sr~p~)Zn Fe~6~O~11~Y-type hexagonal ferrites","Journal of Magnetism and Magnetic Materials","1991","102","","305","313","10.1016/0304-8853(91)90143-X","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008506","5.8656","0.0001","5.8656","0.0001","43.503","0.002","90","","90","","120","","1296.2","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Barium strontium zinc iron(III) oxide (.7/.27/.83/6.16/11)","","- Ba0.7 Fe6.16 O11 Sr0.27 Zn0.83 -","- Ba0.7 Fe6.16 O11 Sr0.27 Zn0.83 -","- Ba4.2 Fe36.96 O66 Sr1.62 Zn4.98 -","6","0.166667","","Muller, J; Collomb, A; Fournier, T; Harrowfield, I; Samaras, D","Composition and structure of some (Ba~1-p~Sr~p~)Zn Fe~6~O~11~Y-type hexagonal ferrites","Journal of Magnetism and Magnetic Materials","1991","102","","305","313","10.1016/0304-8853(91)90143-X","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008507","5.8629","0.0001","5.8629","0.0001","43.464","0.002","90","","90","","120","","1293.9","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Barium strontium zinc iron(III) oxide (.49/.47/.84/6.13/11)","","- Ba0.49 Fe6.13 O11 Sr0.47 Zn0.84 -","- Ba0.49 Fe6.13 O11 Sr0.47 Zn0.84 -","- Ba2.94 Fe36.78 O66 Sr2.82 Zn5.04 -","6","0.166667","","Muller, J; Collomb, A; Fournier, T; Harrowfield, I; Samaras, D","Composition and structure of some (Ba~1-p~Sr~p~)Zn Fe~6~O~11~Y-type hexagonal ferrites","Journal of Magnetism and Magnetic Materials","1991","102","","305","313","10.1016/0304-8853(91)90143-X","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008508","5.8585","0.0001","5.8585","0.0001","43.412","0.003","90","","90","","120","","1290.4","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Barium strontium zinc iron(III) oxide (.28/.67/.88/6.07/11)","","- Ba0.28 Fe6.07 O11 Sr0.67 Zn0.88 -","- Ba0.28 Fe6.07 O11 Sr0.67 Zn0.88 -","- Ba1.68 Fe36.42 O66 Sr4.02 Zn5.28 -","6","0.166667","","Muller, J; Collomb, A; Fournier, T; Harrowfield, I; Samaras, D","Composition and structure of some (Ba~1-p~Sr~p~)Zn Fe~6~O~11~Y-type hexagonal ferrites","Journal of Magnetism and Magnetic Materials","1991","102","","305","313","10.1016/0304-8853(91)90143-X","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008509","15.07","0.07","8.74","0.005","8.724","0.009","90","","125.1","0.1","90","","940.1","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diiron(III) trisodium tris(phosphate)","","- Fe2 Na3 O12 P3 -","- Fe2 Na3 O12 P3 -","- Fe8 Na12 O48 P12 -","4","0.5","","Fanjat, N; Soubeyroux, J L","Powder neutron diffraction study of Fe~2~Na~3~(P O~4~)~3~ in the low temperature phase","Journal of Magnetism and Magnetic Materials","1992","104","","933","934","","","","","","","0.0176","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008510","8.275","0.005","8.275","0.005","20.47","0.03","90","","90","","120","","1213.9","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Lithium germanium tris(phosphate)","","- Ge2 Li O12 P3 -","- Ge2 Li O12 P3 -","- Ge12 Li6 O72 P18 -","6","0.166667","","Alami, M; Brochu, R; Soubeyroux, J L; Gravereau, P; Le Flem, G; Hagenmueller, P","Structure and thermal expansion of LiGe~2~(PO~4~)~3~","Journal of Solid State Chemistry","1991","90","","185","193","10.1016/0022-4596(91)90134-4","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008511","8.2722","0.0002","8.2722","0.0002","20.4825","0.0007","90","","90","","120","","1213.8","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Lithium germanium tris(phosphate)","","- Ge2 Li O12 P3 -","- Ge2 Li1.0002 O12 P3 -","- Ge12 Li6.0012 O72 P18 -","6","0.166667","","Alami, M; Brochu, R; Soubeyroux, J L; Gravereau, P; Le Flem, G; Hagenmueller, P","Structure and thermal expansion of LiGe~2~(PO~4~)~3~","Journal of Solid State Chemistry","1991","90","","185","193","10.1016/0022-4596(91)90134-4","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008512","8.2682","0.0009","8.2682","0.0009","20.494","0.004","90","","90","","120","","1213.3","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Lithium germanium tris(phosphate)","","- Ge2 Li O12 P3 -","- Ge2 Li1.0002 O12 P3 -","- Ge12 Li6.0012 O72 P18 -","6","0.166667","","Alami, M; Brochu, R; Soubeyroux, J L; Gravereau, P; Le Flem, G; Hagenmueller, P","Structure and thermal expansion of LiGe~2~(PO~4~)~3~","Journal of Solid State Chemistry","1991","90","","185","193","10.1016/0022-4596(91)90134-4","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008513","14.524","0.011","14.524","0.011","5.936","0.002","90","","90","","90","","1252.2","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Caesium titanium oxide (1.06/8/16)","","- Cs1.062 O16 Ti8 -","- Cs1.061 O16 Ti8 -","- Cs4.244 O64 Ti32 -","4","0.25","","Fanchon, E; Hodeau, J L; Vicat, J; Watts, J A","Three-dimensional/one-dimensional transition in the Cs^+^ sublattice of the mixed valence CsTi~8~O~1~6 hollandite: structuresat 297 and 673K","Journal of Solid State Chemistry","1991","92","","88","100","10.1016/0022-4596(91)90245-D","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008514","10.317","0.007","10.317","0.007","2.98","0.001","90","","90","","90","","317.2","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Caesium titanium oxide (1.1/8/16)","","- Cs1.1 O16 Ti8 -","- Cs1.1 O16 Ti8 -","- Cs1.1 O16 Ti8 -","1","0.0625","","Fanchon, E; Hodeau, J L; Vicat, J; Watts, J A","Three-dimensional/one-dimensional transition in the Cs^+^ sublattice of the mixed valence CsTi~8~O~1~6 hollandite: structures at 297 and 673K","Journal of Solid State Chemistry","1991","92","","88","100","10.1016/0022-4596(91)90245-D","","","","","","0.109","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008515","7.005","0.0015","8.3629","0.0015","10.9833","0.0017","91.98","0.02","108.34","0.02","110.39","0.02","564.9","","","","","","","","","","","","","2","P -1","-P 1","2","","Vanadium oxide (5/9)","","- O9 V5 -","- O9 V5 -","- O36 V20 -","4","2","","Le Page, Y; Bordet, P; Marezio, M","Valence ordering in V~5~O~9~ below 120K","Journal of Solid State Chemistry","1991","92","","380","385","10.1016/0022-4596(91)90346-J","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008516","6.03","0.0003","6.03","0.0003","3.5325","0.0002","90","","90","","120","","111.2","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Cobalt iron arsenide (1.9/0.1/1) - β","","- As Co1.88 Fe0.1 -","- As Co1.88 Fe0.1 -","- As3 Co5.64 Fe0.3 -","3","0.25","","Artigas, M.; Bacmann, M.; Fruchart, D.; Fruchart, R.; Soubeyroux, J.-L.; Wolfers, P.","Analyse comparative des modifications structurales α et β de Co~2~As","Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique, Chimie, Sciences de la Terre et de l'Univers","1991","313","","635","640","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","200089","2020-10-21","18:00:00",""
"1008517","11.9867","0.0005","11.9867","0.0005","3.5875","0.0002","90","","90","","120","","446.4","","","","","","","","","","","","","2","P -6 2 m","P -6 -2","189","","Cobalt arsenide (2/1) - α","","- As Co2 -","- As Co2 -","- As12 Co24 -","12","1","","Artigas, M.; Bacmann, M.; Fruchart, D.; Fruchart, R.; Soubeyroux, J.-L.; Wolfers, P.","Analyse comparative des modifications structurales α et β de Co~2~As","Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique, Chimie, Sciences de la Terre et de l'Univers","1991","313","","635","640","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","200089","2020-10-21","18:00:00",""
"1008518","4.102","0.002","4.102","0.002","12.816","0.005","90","","90","","120","","186.8","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Potassium tin arsenide","","- As K Sn -","- As K Sn -","- As2 K2 Sn2 -","2","0.166667","","Klein, J; Eisenmann, B","Zintl-Phasen mit komplexen Anionen: Darstellung und Einkristallstrukturbestimmung von KSnAs und K~6~Sn~3~As~5~","Materials Research Bulletin","1988","23","","587","594","10.1016/0025-5408(88)90167-5","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008519","14.8","0.006","10.728","0.005","10.934","0.005","90","","90","","90","","1736","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Hexapotassium tritin(III) arsenide","","- As5 K6 Sn3 -","- As5 K6 Sn3 -","- As20 K24 Sn12 -","4","0.5","","Klein, J; Eisenmann, B","Zintl-Phasen mit komplexen Anionen: Darstellung und Einkristallstrukturbestimmung von KSnAs und K~6~Sn~3~As~5~","Materials Research Bulletin","1988","23","","587","594","10.1016/0025-5408(88)90167-5","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008520","13.292","0.004","7.028","0.003","6.548","0.003","90","","90","","90","","611.7","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Dipotassium catena-diarsenidogermanate","","- As2 Ge K2 -","- As2 Ge K2 -","- As8 Ge4 K8 -","4","0.25","","Eisenmann, B; Klein, J","SiS~2~-isostrukturelle Anionen (SiP~2~^2-^),(GeAs~2~^2-^) und (SnAs~2~^2-^) in Alkaliverbindungen","Journal of the Less-Common Metals","1991","175","","109","117","10.1016/0022-5088(91)90355-8","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008521","13.974","0.004","7.454","0.003","6.942","0.003","90","","90","","90","","723.1","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Dirubidium catena-diarsenidostannate","","- As2 Rb2 Sn -","- As2 Rb2 Sn -","- As8 Rb8 Sn4 -","4","0.25","","Eisenmann, B; Klein, J","SiS~2~-isostrukturelle Anionen (SiP~2~^2-^),(GeAs~2~^2-^) und (SnAs~2~^2-^) in Alkaliverbindungen","Journal of the Less-Common Metals","1991","175","","109","117","10.1016/0022-5088(91)90355-8","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008522","14.127","0.004","7.462","0.003","6.196","0.003","90","","90","","90","","653.2","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Dicaesium catena-diphosphidosilicate","","- Cs2 P2 Si -","- Cs2 P2 Si -","- Cs8 P8 Si4 -","4","0.25","","Eisenmann, B; Klein, J","SiS~2~-isostrukturelle Anionen (SiP~2~^2-^),(GeAs~2~^2-^) und (SnAs~2~^2-^) in Alkaliverbindungen","Journal of the Less-Common Metals","1991","175","","109","117","10.1016/0022-5088(91)90355-8","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008523","14.425","0.004","7.571","0.003","6.42","0.003","90","","90","","90","","701.1","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Dicaesium catena-diarsenidosilicate","","- As2 Cs2 Si -","- As2 Cs2 Si -","- As8 Cs8 Si4 -","4","0.25","","Eisenmann, B; Klein, J","SiS~2~-isostrukturelle Anionen (SiP~2~^2-^),(GeAs~2~^2-^) und (SnAs~2~^2-^) in Alkaliverbindungen","Journal of the Less-Common Metals","1991","175","","109","117","10.1016/0022-5088(91)90355-8","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008524","14.657","0.004","7.733","0.003","6.953","0.003","90","","90","","90","","788.1","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Dicaesium catena-diarsenidostannate","","- As2 Cs2 Sn -","- As2 Cs2 Sn -","- As8 Cs8 Sn4 -","4","0.25","","Eisenmann, B; Klein, J","SiS~2~-isostrukturelle Anionen (SiP~2~^2-^),(GeAs~2~^2-^) und (SnAs~2~^2-^) in Alkaliverbindungen","Journal of the Less-Common Metals","1991","175","","109","117","10.1016/0022-5088(91)90355-8","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008525","14.323","0.003","7.106","0.002","15.795","0.003","90","","90.3","0.02","90","","1607.6","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tetrapotassium phyllo-hexaarsenidotetraindate","","- As6 In4 K4 -","- As6 In4 K4 -","- As24 In16 K16 -","4","1","","Birdwishtell, T L T; Klein, C L; Jeffries, T; Stevens, E D; O'Connor, C J","Synthesis and crystal structures of the layered I-III-V Zintl phases, K~4~In~4~X~6~, where X=As, Sb","Journal of Materials Chemistry","1991","1","4","555","558","10.1039/jm9910100555","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008526","15.288","0.005","7.544","0.001","16.79","0.003","90","","90.54","0.02","90","","1936.3","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tetrapotassium phyllo-hexaantimonidotetraindate","","- In4 K4 Sb6 -","- In4 K4 Sb6 -","- In16 K16 Sb24 -","4","1","","Birdwishtell, T L T; Klein, C L; Jeffries, T; Stevens, E D; O'Connor, C J","Synthesis and crystal structures of the layered I-III-V Zintl phases, K~4~In~4~X~6~, where X=As, Sb","Journal of Materials Chemistry","1991","1","4","555","558","10.1039/jm9910100555","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008527","5.736","0.002","4.892","0.001","5.748","0.002","90","","108.07","0.02","90","","153.3","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Sodium tetrafluoromanganate(III)","","- F4 Mn Na -","- F4 Mn Na -","- F8 Mn2 Na2 -","2","0.5","","Molinier, M; Massa, W; Khairoun, S; Tressaud, A; Soubeyroux, J L","Crystal and magnetic structures of NaMnF~4~","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1991","46","12","1669","1673","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008528","5.755","0.002","4.892","0.001","5.76","0.002","90","","108.62","0.01","90","","153.7","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Sodium tetrafluoromanganate(III)","","- F4 Mn Na -","- F4 Mn Na -","- F8 Mn2 Na2 -","2","0.5","","Molinier, M; Massa, W; Khairoun, S; Tressaud, A; Soubeyroux, J L","Crystal and magnetic structures of NaMnF~4~","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1991","46","12","1669","1673","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008529","8.775","0.001","8.775","0.001","12.641","0.001","90","","90","","120","","843","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Praseodymium iron nitride (2/17/2.9)","","- Fe17 N2.92 Pr2 -","- Fe17 N2.919 Pr2 -","- Fe51 N8.757 Pr6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Pannetier, J","Neutron powder diffraction study of Pr~2~Fe~17~ and Pr~2~Fe~17~N~2.9~","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1992","45","","2920","2926","10.1103/PhysRevB.45.2920","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008530","8.771","0.001","8.771","0.001","12.629","0.001","90","","90","","120","","841.4","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Praseodymium iron nitride (2/17/2.9)","","- Fe17 N2.92 Pr2 -","- Fe17 N2.919 Pr2 -","- Fe51 N8.757 Pr6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Pannetier, J","Neutron powder diffraction study of Pr~2~Fe~17~ and Pr~2~Fe~17~N~2.9~","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1992","45","","2920","2926","10.1103/PhysRevB.45.2920","","","","","","0.01","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008531","8.817","0.001","8.817","0.001","12.692","0.001","90","","90","","120","","854.5","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Praseodymium iron nitride (2/17/2.9)","","- Fe17 N2.92 Pr2 -","- Fe17 N2.919 Pr2 -","- Fe51 N8.757 Pr6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Pannetier, J","Neutron powder diffraction study of Pr~2~Fe~17~ and Pr~2~Fe~17~N~2.9~","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1992","45","","2920","2926","10.1103/PhysRevB.45.2920","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008532","9.688","0.002","8.002","0.001","8.339","0.001","90","","90","","90","","646.5","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Dithallium catena-pentafluoromanganate(III) hydrate","","- F5 H2 Mn O Tl2 -","- F5 H4 Mn O Tl2 -","- F20 H16 Mn4 O4 Tl8 -","4","0.25","","Nunez, P; Tressaud, A; Darriet, J; Hagenmuller, P; Hahn, G; Frenzen, G; Massa, W; Babel, D; Boireau, A; Soubeyroux, J L","A new linear chain compound: crystal and magnetic structures of Tl~2~MnF~5~.H~2~O","Inorganic Chemistry","1992","31","","770","774","10.1021/ic00031a015","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008533","9.526","0.002","7.861","0.001","8.317","0.001","90","","90","","90","","622.8","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Dithallium catena-pentafluoromanganate(III) hydrate","","- F5 H2 Mn O Tl2 -","- F5 H4 Mn O Tl2 -","- F20 H16 Mn4 O4 Tl8 -","4","0.25","","Nunez, P; Tressaud, A; Darriet, J; Hagenmuller, P; Hahn, G; Frenzen, G; Massa, W; Babel, D; Boireau, A; Soubeyroux, J L","A new linear chain compound: crystal and magnetic structures of Tl~2~MnF~5~.H~2~O","Inorganic Chemistry","1992","31","","770","774","10.1021/ic00031a015","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008534","7.6827","0.0004","7.6827","0.0004","7.6827","0.0004","90","","90","","90","","453.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Iron zirconium fluoride (0.8/0.2/3.2)","","- F3.2 Fe0.8 Zr0.2 -","- F3.2004 Fe0.8 Zr0.2 -","- F76.8096 Fe19.2 Zr4.8 -","24","0.125","","Ruchaud, N; Grannec, J; Hagenmuller, P; Soubeyroux, J L","A neutron diffraction study of the anion-excess cubic ReO~3~-type derived phase Fe~.8~Zr~.2~F~3.2~","Journal of Alloys Compd.","1992","183","","263","270","10.1016/0925-8388(92)90750-4","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008535","5.952","0.001","8.543","0.001","5.949","0.001","90","","90","","90","","302.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium manganese fluoride","","- F3 H4 Mn N -","- F3 H2 Mn N -","- F12 H8 Mn4 N4 -","4","0.5","","Laguna, M A; Sanjuan, M L; Orera, V M; Rubin, J; Palacios, E; Pique, M C; Bartolome, J; Berar, J F","X-ray and raman study of the low temperature NH~4~MnF~3~ structure;evidence of librational motion of the NH~4~^+^ ion","Journal of Physics: Condensed Matter","1993","5","","283","300","10.1088/0953-8984/5/3/005","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008536","7.002","0.002","8.3516","0.002","10.9052","0.0023","91.91","0.02","108.39","0.02","110.5","0.02","559.4","","","","","","","","","","","","","2","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","","Vanadium oxide (5/9)","","- O9 V5 -","- O9 V5 -","- O36 V20 -","4","","","Le Page, Y; Bordet, P; Marezio, M","Valence ordering in V~5~O~9~ below 120K","Journal of Solid State Chemistry","1991","92","","380","385","10.1016/0022-4596(91)90346-J","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008537","4.874","0.008","4.874","0.008","8.515","0.02","90","","90","","120","","175.2","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Sodium arsenide - $-alpha","","- As Na3 -","- As Na3 -","- As2 Na6 -","2","0.0833333","","Beister, H J; Syassen, K; Klein, J","Phase transition of Na~3~As under pressure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1990","45","","1388","1392","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008538","6.835","0.015","6.835","0.015","6.835","0.015","90","","90","","90","","319.3","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sodium arsenide - $-beta","","- As Na3 -","- As Na3 -","- As4 Na12 -","4","0.0208333","","Beister, H J; Syassen, K; Klein, J","Phase transition of Na~3~As under pressure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1990","45","","1388","1392","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008541","5.352","","5.4","","13.157","","90","","90","","90","","380.2","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Dilanthanum copper oxide","","- Cu La2 O4 -","- Cu La2 O4 -","- Cu4 La8 O16 -","4","","","Tuilier, M H; Chevalier, B; Tressaud, A; Brisson, C; Soubeyroux, J L; Etourneau, J","EXAFS study at the LaL~III~ X-ray absorption edge of superconducting materials obtained by fluorination of La~2-x~Sr~x~CuO~4~ oxides (0<x<0.15)","Physica C (Amsterdam) (152,1988-)","1992","200","","113","121","10.1016/0921-4534(92)90327-9","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008542","5.328","","5.427","","13.194","","90","","90","","90","","381.5","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Lanthanum copper oxide (2/1/4.2)","","- Cu La2 O4.178 -","- Cu La2 O4.178 -","- Cu4 La8 O16.712 -","4","","","Tuilier, M H; Chevalier, B; Tressaud, A; Brisson, C; Soubeyroux, J L; Etourneau, J","EXAFS study at the LaL~III~ X-ray absorption edge of superconducting materials obtained by fluorination of La~2-x~Sr~x~CuO~4~ oxides (0<x<0.15)","Physica C (Amsterdam) (152,1988-)","1992","200","","113","121","10.1016/0921-4534(92)90327-9","","","","","","0.102","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008543","8.7449","0.0003","8.7449","0.0013","21.819","0.001","90","","90","","120","","1445","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Dicopper(I) chromium zirconium tris(phosphate)","","- Cr Cu2 O12 P3 Zr -","- Cr Cu1.9998 O12 P3 Zr -","- Cr6 Cu11.9988 O72 P18 Zr6 -","6","0.166667","","Boireau, A; Soubeyroux, J L; Gravereau, P; Olazcuaga, R; Le Flem, G","Evidence of copper pairing in Cu~2~^I^CrZr(PO4/4)~3~, a crystallographic study","European Journal of Solid State Inorganic Chemistry","1993","30","","337","346","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008544","4.02","0.003","4.02","0.003","10.548","0.007","90","","90","","90","","170.5","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Praseodymium manganese silicide (1/2/2)","","- Mn2 Pr Si2 -","- Mn2 Pr Si2 -","- Mn4 Pr2 Si4 -","2","0.0625","","Welter, R; Venturini, G; Fruchart, D; Malaman, B","Magnetic structures of PrMn~2~Si~2~ and NdMn~2~Si~2~ from neutron diffraction studies","Journal of Alloys Compd.","1993","191","","263","270","10.1016/0925-8388(93)90075-X","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008545","4.019","0.003","4.019","0.003","10.551","0.007","90","","90","","90","","170.4","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Praseodymium manganese silicide (1/2/2)","","- Mn2 Pr Si2 -","- Mn2 Pr Si2 -","- Mn4 Pr2 Si4 -","2","0.0625","","Welter, R; Venturini, G; Fruchart, D; Malaman, B","Magnetic structures of PrMn~2~Si~2~ and NdMn~2~Si~2~ from neutron diffraction studies","Journal of Alloys Compd.","1993","191","","263","270","10.1016/0925-8388(93)90075-X","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008546","3.998","0.003","3.998","0.003","10.51","0.007","90","","90","","90","","168","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Neodymium manganese silicide (1/2/2)","","- Mn2 Nd Si2 -","- Mn2 Nd Si2 -","- Mn4 Nd2 Si4 -","2","0.0625","","Welter, R; Venturini, G; Fruchart, D; Malaman, B","Magnetic structures of PrMn~2~Si~2~ and NdMn~2~Si~2~ from neutron diffraction studies","Journal of Alloys Compd.","1993","191","","263","270","10.1016/0925-8388(93)90075-X","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008547","3.996","0.003","3.996","0.003","10.478","0.007","90","","90","","90","","167.3","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Neodymium manganese silicide (1/2/2)","","- Mn2 Nd Si2 -","- Mn2 Nd Si2 -","- Mn4 Nd2 Si4 -","2","0.0625","","Welter, R; Venturini, G; Fruchart, D; Malaman, B","Magnetic structures of PrMn~2~Si~2~ and NdMn~2~Si~2~ from neutron diffraction studies","Journal of Alloys Compd.","1993","191","","263","270","10.1016/0925-8388(93)90075-X","","","","","","0.011","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008548","8.659","0.0008","8.659","0.0008","4.793","0.0005","90","","90","","90","","359.4","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Yttrium iron molybdenum nitride (1/10.1/1.9/0.8)","","- Fe10.12 Mo1.88 N0.8 Y -","- Fe10.12 Mo1.88 N0.8 Y -","- Fe20.24 Mo3.76 N1.6 Y2 -","2","0.0625","","Tomey, E; Isnard, O; Fagan, A; Desmoulins, C; Miraglia, S; Soubeyroux, J L; Fruchart, D","Modulation of spin reorientation transitions in the series R(Fe,M)~12~X~y~ (R=Y,Nd,Ho;M=Mo,Ti;X=N,H)","Journal of Alloys Compd.","1993","191","","233","238","10.1016/0925-8388(93)90070-4","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008549","8.6648","0.0006","8.6648","0.0006","4.8012","0.0005","90","","90","","90","","360.5","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Yttrium iron molybdenum nitride (1/10.1/1.9/0.8)","","- Fe10.12 Mo1.88 N0.8 Y -","- Fe10.12 Mo1.88 N0.8 Y -","- Fe20.24 Mo3.76 N1.6 Y2 -","2","0.0625","","Tomey, E; Isnard, O; Fagan, A; Desmoulins, C; Miraglia, S; Soubeyroux, J L; Fruchart, D","Modulation of spin reorientation transitions in the series R(Fe,M)~12~X~y~ (R=Y,Nd,Ho;M=Mo,Ti;X=N,H)","Journal of Alloys Compd.","1993","191","","233","238","10.1016/0925-8388(93)90070-4","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008550","8.6398","0.0009","8.6398","0.0009","4.8437","0.0006","90","","90","","90","","361.6","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Neodymium iron molybdenum nitride (1/10.5/1.5/0.8)","","- Fe10.52 Mo1.48 N0.8 Nd -","- Fe10.52 Mo1.48 N0.8 Nd -","- Fe21.04 Mo2.96 N1.6 Nd2 -","2","0.0625","","Tomey, E; Isnard, O; Fagan, A; Desmoulins, C; Miraglia, S; Soubeyroux, J L; Fruchart, D","Modulation of spin reorientation transitions in the series R(Fe,M)~12~X~y~ (R=Y,Nd,Ho;M=Mo,Ti;X=N,H)","Journal of Alloys Compd.","1993","191","","233","238","10.1016/0925-8388(93)90070-4","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008551","8.646","0.001","8.646","0.001","4.8519","0.0006","90","","90","","90","","362.7","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Neodymium iron molybdenum nitride (1/10.5/1.5/0.8)","","- Fe10.48 Mo1.52 N0.8 Nd -","- Fe10.48 Mo1.52 N0.8 Nd -","- Fe20.96 Mo3.04 N1.6 Nd2 -","2","0.0625","","Tomey, E; Isnard, O; Fagan, A; Desmoulins, C; Miraglia, S; Soubeyroux, J L; Fruchart, D","Modulation of spin reorientation transitions in the series R(Fe,M)~12~X~y~ (R=Y,Nd,Ho;M=Mo,Ti;X=N,H)","Journal of Alloys Compd.","1993","191","","233","238","10.1016/0925-8388(93)90070-4","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008552","7.275","0.002","9.452","0.001","13.569","0.002","90","","90","","90","","933","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dicaesium oxotitanium diphosphate","","- Cs2 O8 P2 Ti -","- Cs2 O8 P2 Ti -","- Cs8 O32 P8 Ti4 -","4","1","","Protas, J; Menaert, B; Marnier, G; Boulanger, B","Structure cristalline de Cs~2~TiO(P~2~O~7~)","Acta Crystallographica C (39,1983-)","1991","47","","698","701","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008553","19.58","0.01","7.388","0.005","7.451","0.005","90","","102.32","0.1","90","","1053","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Iron(III) tris(phosphate) trihydroxide","","- Fe4 H3 O15 P3 -","- Fe4 H6 O15 P3 -","- Fe16 H24 O60 P12 -","4","0.5","","Malaman, M; Ijjaali, M; Venturini, G; Gleitzer, C; Soubeyroux, J L","Neutron diffraction study of Fe~4~(PO~4~)~3~(OH)~3~: occurrence of ferromagnetic Fe~2~O~9~ clusters","European Journal of Solid State Inorganic Chemistry","1991","28","","519","531","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008554","3.897","0.0002","3.897","0.0002","11.573","0.004","90","","90","","90","","175.8","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Calcium barium lanthanum copper aluminium oxide (0.5/1.5/1/2.4/0.6/6.7)","","- Al0.58 Ba1.47 Ca0.53 Cu2.42 La O6.68 -","- Al0.58 Ba1.47 Ca0.53 Cu2.42 La O6.676 -","- Al0.58 Ba1.47 Ca0.53 Cu2.42 La O6.676 -","1","0.0625","","Amador, U; Senaris, M A; Moran, E; Alario-Franco, M A; Vegas, A; Martinez-Ripoll, M; Ibanez, J","(CaBaLa)~3~(Cu~3-y~M~y~)O~7-x~ (M=Al, Pt) single crystals","European Journal of Solid State Inorganic Chemistry","1991","28","","611","624","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008555","3.891","0.001","3.891","0.001","11.675","0.005","90","","90","","90","","176.8","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Calcium barium lanthanum copper platinum oxide (0.5/1/1.5/2.8/0.2/6.5)","","- Ba Ca0.49 Cu2.8 La1.51 O6.48 Pt0.2 -","- Ba Ca0.49 Cu2.8 La1.51 O6.476 Pt0.2 -","- Ba Ca0.49 Cu2.8 La1.51 O6.476 Pt0.2 -","1","0.0625","","Amador, U; Senaris, M A; Moran, E; Alario-Franco, M A; Vegas, A; Martinez-Ripoll, M; Ibanez, J","(CaBaLa)~3~(Cu~3-y~M~y~)O~7-x~ (M=Al, Pt) single crystals","European Journal of Solid State Inorganic Chemistry","1991","28","","611","624","","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008556","13.986","0.006","3.78","0.001","4.065","0.001","90","","93.99","0.02","90","","214.4","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Deuterium molybdenum oxide (1.6/1/3)","","- D1.64 Mo O3 -","- D1.64 Mo O3 -","- D6.56 Mo4 O12 -","4","0.5","","Anne, M; Fruchart, D; Derdour, S; Tinet, D","Structure of D~1.65~ Mo O~3~ by neutron diffraction","Journal de Physique (Paris)","1988","49","","505","509","10.1051/jphys:01988004903050500","","","","","","0.148","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008557","8.727","0.001","8.727","0.001","12.687","0.001","90","","90","","120","","836.8","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Cerium iron nitride (2/17/3)","","- Ce2 Fe17 N3 -","- Ce2 Fe17 N3 -","- Ce6 Fe51 N9 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D","Nitrogen gas pressure synthesis and neutron diffraction study of R~2~Fe~17~N~3~ with R=Ce and Nd","Journal of Alloys Compd.","1992","190","","129","135","10.1016/0925-8388(92)90189-G","","","","","","0.0157","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008558","8.737","0.001","8.737","0.001","12.702","0.001","90","","90","","120","","839.7","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Cerium iron nitride (2/17/3)","","- Ce2 Fe17 N3 -","- Ce2 Fe17 N3 -","- Ce6 Fe51 N9 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D","Nitrogen gas pressure synthesis and neutron diffraction study of R~2~Fe~17~N~3~ with R=Ce and Nd","Journal of Alloys Compd.","1992","190","","129","135","10.1016/0925-8388(92)90189-G","","","","","","0.0304","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008559","8.75","0.001","8.75","0.001","12.626","0.001","90","","90","","120","","837.2","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Neodymium iron nitride (2/17/3)","","- Fe17 N3 Nd2 -","- Fe17 N3 Nd2 -","- Fe51 N9 Nd6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D","Nitrogen gas pressure synthesis and neutron diffraction study of R~2~Fe~17~N~3~ with R=Ce and Nd","Journal of Alloys Compd.","1992","190","","129","135","10.1016/0925-8388(92)90189-G","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008560","8.786","0.001","8.786","0.001","12.626","0.001","90","","90","","120","","844.1","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Neodymium iron nitride (2/17/3)","","- Fe17 N3 Nd2 -","- Fe17 N3 Nd2 -","- Fe51 N9 Nd6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D","Nitrogen gas pressure synthesis and neutron diffraction study of R~2~Fe~17~N~3~ with R=Ce and Nd","Journal of Alloys Compd.","1992","190","","129","135","10.1016/0925-8388(92)90189-G","","","","","","0.0124","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008561","8.4318","","8.4318","","8.4318","","90","","90","","90","","599.5","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium iron oxide (0.9/2/3)","","- Fe2 Li0.87 O3 -","- Fe2.0004 Li0.8696 O1.5 -","- Fe4.0008 Li1.7392 O3 -","2","0.0104167","","Bonnet, B.; Strobel, P.; Pernet, M.; Gondrand, M.; Gros, Y.; Mouget, C.; Chabre, Y.","Structural aspects of lithium insertion into γ-Fe~2~O~3~","Materials Science Forum","1992","","","345","350","10.4028/www.scientific.net/MSF.91-93.345","","","","","","0.0565","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1008562","3.8413","0.0004","3.8413","0.0004","3.8413","0.0004","90","","90","","90","","56.7","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Iron zirconium fluoride (0.8/0.2/3.2)","","- F3.2 Fe0.8 Zr0.2 -","- F3.1992 Fe0.7998 Zr0.1998 -","- F3.1992 Fe0.7998 Zr0.1998 -","1","0.0208333","","Ruchaud, N; Grannec, J; Hagenmuller, P; Soubeyroux, J L","A neutron diffraction study of the anion-excess cubic ReO~3~-type derived phase Fe~0.80~Zr~0.20~F~3.20~","Journal of Alloys Compd.","1992","183","","263","270","10.1016/0925-8388(92)90750-4","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008563","5.4055","0.0009","5.4055","0.0009","8.7964","0.0007","90","","90","","120","","222.6","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Zirconium manganese deuteride (1/2/3)","","- D3.054 Mn2 Zr -","- D3.054 Mn2 Zr -","- D12.216 Mn8 Zr4 -","4","0.166667","","Pontonnier, L; Miraglia, S; Fruchart, D; Soubeyroux, J L; Baudry, A; Boyer, P","Structural study of hyperstoichiometric alloys ZrMn~2+x~ and their hydrides","Journal of Alloys Compd.","1992","186","","241","248","10.1016/0925-8388(92)90010-7","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008564","5.3889","0.001","5.3889","0.001","8.766","0.0011","90","","90","","120","","220.5","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Zirconium manganese deuteride (0.9/2.2/2.3)","","- D2.332 Mn2.15 Zr0.85 -","- D2.3325 Mn2.15 Zr0.85 -","- D9.33 Mn8.6 Zr3.4 -","4","0.166667","","Pontonnier, L; Miraglia, S; Fruchart, D; Soubeyroux, J L; Baudry, A; Boyer, P","Structural study of hyperstoichiometric alloys ZrMn~2+x~ and their hydrides","Journal of Alloys Compd.","1992","186","","241","248","10.1016/0925-8388(92)90010-7","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008565","5.3889","0.001","5.3889","0.001","8.766","0.0011","90","","90","","120","","220.5","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Zirconium manganese deuteride (1/2/2.8)","","- D2.83 Mn2 Zr -","- D2.8305 Mn2 Zr -","- D11.322 Mn8 Zr4 -","4","0.166667","","Pontonnier, L; Miraglia, S; Fruchart, D; Soubeyroux, J L; Baudry, A; Boyer, P","Structural study of hyperstoichiometric alloys ZrMn~2+x~ and their hydrides","Journal of Alloys Compd.","1992","186","","241","248","10.1016/0925-8388(92)90010-7","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008566","5.3493","0.0009","5.3493","0.0009","8.6995","0.0009","90","","90","","120","","215.6","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Zirconium manganese deuteride (0.8/2.2/2.1)","","- D2.113 Mn2.227 Zr0.772 -","- D2.1135 Mn2.227 Zr0.772 -","- D8.454 Mn8.908 Zr3.088 -","4","0.166667","","Pontonnier, L; Miraglia, S; Fruchart, D; Soubeyroux, J L; Baudry, A; Boyer, P","Structural study of hyperstoichiometric alloys ZrMn~2+x~ and their hydrides","Journal of Alloys Compd.","1992","186","","241","248","10.1016/0925-8388(92)90010-7","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008567","5.5899","0.0002","5.5899","0.0002","7.7153","0.0003","90","","90","","90","","241.1","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Barium strontium copper oxide carbonate (1/1/1/2.05/1)","","- C Ba Cu O5.05 Sr -","- C Ba Cu O5.05 Sr -","- C2 Ba2 Cu2 O10.1 Sr2 -","2","0.125","","Chaillout, C; Huang, Q; Cava, R J; Chenavas, J; Santoro, A; Bordet, P; Hodeau, J L; Krajewski, J J; Levy, J P; Marezio, M; Peck, W F jr","Synthesis and crystal structure of BaSrCuO~2+x~CO~3~","Physica C (Amsterdam) (152,1988-)","1992","195","","335","344","10.1016/0921-4534(92)90358-J","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1008568","5.336","0.004","5.336","0.004","8.7","0.001","90","","90","","120","","214.5","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium manganese iron deuteride (0.6/1.5/0.8/1.5)","","- D1.539 Fe0.82 Mn1.538 Zr0.642 -","- D1.53885 Fe0.82 Mn1.538 Zr0.642 -","- D6.1554 Fe3.28 Mn6.152 Zr2.568 -","4","0.166667","","Triantafillidis, G; Pontonnier, L; Fruchart, D; Wolfers, P; Soubeyroux, J L","Effect of hydrogen absorption on the structural properties of the hyperstoichiometric alloys Zr(Mn~0.72~Fe~0.28~)~2+x~","Journal of the Less-Common Metals","1991","172","","183","190","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008569","5.336","0.005","5.336","0.005","8.697","0.005","90","","90","","120","","214.5","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium manganese iron hydride (0.7/1.7/0.5/4.1)","","- Fe0.512 H4.072 Mn1.738 Zr0.749 -","- Fe0.5125 H4.0725 Mn1.7385 Zr0.749 -","- Fe2.05 H16.29 Mn6.954 Zr2.996 -","4","0.166667","","Triantafillidis, G; Pontonnier, L; Fruchart, D; Wolfers, P; Soubeyroux, J L","Effect of hydrogen absorption on the structural properties of the hyperstoichiometric alloys Zr(Mn~0.72~Fe~0.28~)~2+x~","Journal of the Less-Common Metals","1991","172","","183","190","","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008570","13.663","0.001","5.213","0.001","14.326","0.001","90","","91.49","0.01","90","","1020","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Barium manganese copper aluminium fluoride (2/1/1/2/14)","","- Al2 Ba2 Cu F14 Mn -","- Al2 Ba2 Cu F14 Mn -","- Al8 Ba8 Cu4 F56 Mn4 -","4","0.5","","le Lirzin, A; Soubeyroux, J L; Tressaud, A; Georges, R; Darriet, J","Systemes magnetiques de basse dimensionnalite dans des fluorures de type usovite et jarlite","Journal de Chimie Physique et de Physico-Chimie Biologique","1991","88","","2173","2189","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008571","13.658","0.004","5.205","0.002","14.38","0.004","90","","91.08","0.02","90","","1022.1","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Barium manganese cobalt aluminium fluoride (2/1/1/2/14)","","- Al2 Ba2 Co F14 Mn -","- Al2 Ba2 Co F14 Mn -","- Al8 Ba8 Co4 F56 Mn4 -","4","0.5","","le Lirzin, A; Soubeyroux, J L; Tressaud, A; Georges, R; Darriet, J","Systemes magnetiques de basse dimensionnalite dans des fluorures de type usovite et jarlite","Journal de Chimie Physique et de Physico-Chimie Biologique","1991","88","","2173","2189","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008572","5.35","0.001","13.148","0.006","5.398","0.003","90","","90","","90","","379.7","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Lanthanum copper oxide (2/1/4)","","- Cu La2 O4 -","- Cu La2 O4 -","- Cu4 La8 O16 -","4","","","Chaillout, C; Bordet, P; Chenavas, J; Cheong, S W; Fisk, Z; Marezio, M; Morosin, B; Schirber, J E","Structural aspects of the phase separation in La~2~CuO~4.032~","Materials Research Society Symposia Proceedings","1990","169","","47","52","10.1557/PROC-169-47","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008573","5.35","0.001","13.148","0.006","5.398","0.003","90","","90","","90","","379.7","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Lanthanum copper oxide (2/1/4.02)","","- Cu La2 O4.024 -","- Cu La2 O4.024 -","- Cu4 La8 O16.096 -","4","0.125","","Chaillout, C; Bordet, P; Chenavas, J; Cheong, S W; Fisk, Z; Marezio, M; Morosin, B; Schirber, J E","Structural aspects of the phase separation in La~2~CuO~4.032~","Materials Research Society Symposia Proceedings","1990","169","","47","52","10.1557/PROC-169-47","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008574","13.784","0.001","6.631","0.001","10.537","0.001","90","","103.66","0.01","90","","935.9","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Thallium tetrafluoromanganate(III) hydrate","","- F4 H2 Mn O Tl -","- F4 H2 Mn O Tl -","- F32 H16 Mn8 O8 Tl8 -","8","1","","Nunez, P; Tressaud, A; Hahn, F; Massa, W; Babel, D; Boireau, A; Soubeyroux, J L","A new 1D-antiferromagnet: crystal and magnetic structures of TlMnF~4~.H~2~O","Physica Status Solidi, Sectio A: Applied Research","1991","127","","505","517","10.1002/pssa.2211270227","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008575","13.6775","0.0001","6.5865","0.0002","10.389","0.0003","90","","103.176","0.001","90","","911.3","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Thallium tetrafluoromanganate(III) hydrate","","- F4 H2 Mn O Tl -","- F4 H4 Mn O Tl -","- F32 H32 Mn8 O8 Tl8 -","8","1","","Nunez, P; Tressaud, A; Hahn, F; Massa, W; Babel, D; Boireau, A; Soubeyroux, J L","A new 1D-antiferromagnet: crystal and magnetic structures of TlMnF~4~.H~2~O","Physica Status Solidi, Sectio A: Applied Research","1991","127","","505","517","10.1002/pssa.2211270227","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008576","13.838","0.007","6.429","0.005","10.486","0.001","90","","103.97","0.01","90","","905.3","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Rubidium tetrafluoromanganate(III) hydrate","","- F4 H2 Mn O Rb -","- F4 H4 Mn O Rb -","- F32 H32 Mn8 O8 Rb8 -","8","1","","Nunez, P; Tressaud, A; Hahn, F; Massa, W; Babel, D; Boireau, A; Soubeyroux, J L","A new 1D-antiferromagnet: crystal and magnetic structures of TlMnF~4~.H~2~O","Physica Status Solidi, Sectio A: Applied Research","1991","127","","505","517","10.1002/pssa.2211270227","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008577","8.9018","0.0002","8.9018","0.0002","22.2021","0.0006","90","","90","","120","","1523.6","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Copper(I) dizirconium phosphate","","- Cu O12 P3 Zr2 -","- Cu1.0002 O12 P3 Zr2 -","- Cu6.0012 O72 P18 Zr12 -","6","0.166667","","Bussereau, I; Belkhiria, M S; Gravereau, P; Boireau, A; Soubeyroux, J L; Olazcuaga, R; Le Flem, G","Structure of CuZr~2~(PO~4~)~3~ by X-ray and neutron powder diffraction","Acta Crystallographica C (39,1983-)","1992","48","","1741","1744","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008578","8.892","0.001","8.892","0.001","22.19","0.001","90","","90","","120","","1519.5","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Copper(I) dizirconium phosphate","","- Cu O12 P3 Zr2 -","- Cu1.0002 O12 P3 Zr2 -","- Cu6.0012 O72 P18 Zr12 -","6","0.166667","","Bussereau, I; Belkhiria, M S; Gravereau, P; Boireau, A; Soubeyroux, J L; Olazcuaga, R; Le Flem, G","Structure of CuZr~2~(PO~4~)~3~ by X-ray and neutron powder diffraction","Acta Crystallographica C (39,1983-)","1992","48","","1741","1744","","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008579","8.597","0.001","8.597","0.001","12.489","0.002","90","","90","","120","","799.4","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Thorium iron carbide (2/17/0.3)","","- Fe17 Th2 -","- C0.276 Fe17 Th2 -","- C0.828 Fe51 Th6 -","3","0.0833333","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Structural and magnetic behaviour of the series Th~2~Fe~17~C~x~ (x=0 to 1.25)","Journal of Alloys Compd.","1992","186","","135","145","10.1016/0925-8388(92)90627-L","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008580","8.643","0.001","8.643","0.001","12.516","0.002","90","","90","","120","","809.7","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Thorium iron carbide (2/17/0.6)","","- Fe17 Th2 -","- C0.624 Fe17 Th2 -","- C1.872 Fe51 Th6 -","3","0.0833333","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Structural and magnetic behaviour of the series Th~2~Fe~17~C~x~ (x=0 to 1.25)","Journal of Alloys Compd.","1992","186","","135","145","10.1016/0925-8388(92)90627-L","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008581","8.65","0.001","8.65","0.001","12.494","0.002","90","","90","","120","","809.6","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Thorium iron carbide (2/17/0.8)","","- Fe17 Th2 -","- C0.84 Fe17 Th2 -","- C2.52 Fe51 Th6 -","3","0.0833333","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Structural and magnetic behaviour of the series Th~2~Fe~17~C~x~ (x=0 to 1.25)","Journal of Alloys Compd.","1992","186","","135","145","10.1016/0925-8388(92)90627-L","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008582","8.699","0.001","8.699","0.001","12.533","0.002","90","","90","","120","","821.3","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Thorium iron carbide (2/17/1.1)","","- Fe17 Th2 -","- C1.08 Fe17 Th2 -","- C3.24 Fe51 Th6 -","3","0.0833333","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Structural and magnetic behaviour of the series Th~2~Fe~17~C~x~ (x=0 to 1.25)","Journal of Alloys Compd.","1992","186","","135","145","10.1016/0925-8388(92)90627-L","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008583","8.69","0.002","8.69","0.002","12.51","0.003","90","","90","","120","","818.1","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Thorium iron carbide (2/17/1.2)","","- Fe17 Th2 -","- C1.236 Fe17 Th2 -","- C3.708 Fe51 Th6 -","3","0.0833333","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Structural and magnetic behaviour of the series Th~2~Fe~17~C~x~ (x=0 to 1.25)","Journal of Alloys Compd.","1992","186","","135","145","10.1016/0925-8388(92)90627-L","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008584","8.606","0.001","8.606","0.001","12.492","0.001","90","","90","","120","","801.2","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Thorium iron carbide (2/17/0.3)","","- Fe17 Th2 -","- C0.276 Fe17 Th2 -","- C0.828 Fe51 Th6 -","3","0.0833333","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Structural and magnetic behaviour of the series Th~2~Fe~17~C~x~ (x=0 to 1.25)","Journal of Alloys Compd.","1992","186","","135","145","10.1016/0925-8388(92)90627-L","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008585","8.643","0.001","8.643","0.001","12.504","0.001","90","","90","","120","","808.9","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Thorium iron carbide (2/17/0.6)","","- Fe17 Th2 -","- C0.624 Fe17 Th2 -","- C1.872 Fe51 Th6 -","3","0.0833333","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Structural and magnetic behaviour of the series Th~2~Fe~17~C~x~ (x=0 to 1.25)","Journal of Alloys Compd.","1992","186","","135","145","10.1016/0925-8388(92)90627-L","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008586","8.666","0.001","8.666","0.001","12.508","0.001","90","","90","","120","","813.5","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Thorium iron carbide (2/17/0.9)","","- Fe17 Th2 -","- C0.912 Fe17 Th2 -","- C2.736 Fe51 Th6 -","3","0.0833333","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Structural and magnetic behaviour of the series Th~2~Fe~17~C~x~ (x=0 to 1.25)","Journal of Alloys Compd.","1992","186","","135","145","10.1016/0925-8388(92)90627-L","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008587","8.697","0.001","8.697","0.001","12.518","0.001","90","","90","","120","","820","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Thorium iron carbide (2/17/1.1)","","- Fe17 Th2 -","- C1.08 Fe17 Th2 -","- C3.24 Fe51 Th6 -","3","0.0833333","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Structural and magnetic behaviour of the series Th~2~Fe~17~C~x~ (x=0 to 1.25)","Journal of Alloys Compd.","1992","186","","135","145","10.1016/0925-8388(92)90627-L","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008588","8.741","0.001","8.741","0.001","12.558","0.001","90","","90","","120","","830.9","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Thorium iron carbide (2/17/1.2)","","- Fe17 Th2 -","- C1.164 Fe17 Th2 -","- C3.492 Fe51 Th6 -","3","0.0833333","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Structural and magnetic behaviour of the series Th~2~Fe~17~C~x~ (x=0 to 1.25)","Journal of Alloys Compd.","1992","186","","135","145","10.1016/0925-8388(92)90627-L","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008589","8.7449","0.0003","8.7449","0.0003","21.819","0.001","90","","90","","120","","1445","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Dicopper(I) chromium zirconium tris(phosphate)","","- Cr Cu2 O12 P3 Zr -","- Cr Cu1.9998 O12 P3 Zr -","- Cr6 Cu11.9988 O72 P18 Zr6 -","6","0.166667","","Boireau, A; Soubeyroux, J L; Gravereau, P; Olazcuaga, R; Le Flem, G","Structure of Cu^I^~2~CrZr(PO~4~)~3~ by powder neutron diffraction","Journal of Alloys Compd.","1992","188","","113","116","10.1016/0925-8388(92)90655-S","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008590","6.1557","0.0001","6.1557","0.0001","6.1557","0.0001","90","","90","","90","","233.3","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Barium bismuth fluoride (0.9/0.1/2.1)","","- Ba0.9 Bi0.1 F2.1 -","- Ba0.9 Bi0.1 F2.1 -","- Ba3.6 Bi0.4 F8.4 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Wahbi, M; Senegas; Soo, S K","Neutron diffraction investigation of the Ba~1-x~Bi~x~F~2-x~ solid solution","Solid State Communications","1992","82","2","63","70","10.1016/0038-1098(92)90673-W","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008591","6.1118","0.0001","6.1118","0.0001","6.1118","0.0001","90","","90","","90","","228.3","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Barium bismuth fluoride (0.8/0.2/2.2)","","- Ba0.8 Bi0.2 F2.2 -","- Ba0.8 Bi0.2 F2.2 -","- Ba3.2 Bi0.8 F8.8 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Wahbi, M; Senegas; Soo, S K","Neutron diffraction investigation of the Ba~1-x~Bi~x~F~2-x~ solid solution","Solid State Communications","1992","82","2","63","70","10.1016/0038-1098(92)90673-W","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008592","6.0773","0.0002","6.0773","0.0002","6.0773","0.0002","90","","90","","90","","224.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Barium bismuth fluoride (0.7/0.3/2.3)","","- Ba0.7 Bi0.3 F2.3 -","- Ba0.7 Bi0.3 F2.2996 -","- Ba2.8 Bi1.2 F9.1984 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Wahbi, M; Senegas; Soo, S K","Neutron diffraction investigation of the Ba~1-x~Bi~x~F~2-x~ solid solution","Solid State Communications","1992","82","2","63","70","10.1016/0038-1098(92)90673-W","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008593","6.0377","0.0002","6.0377","0.0002","6.0377","0.0002","90","","90","","90","","220.1","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Barium bismuth fluoride (0.6/0.4/2.4)","","- Ba0.6 Bi0.4 F2.4 -","- Ba0.6 Bi0.4 F2.4004 -","- Ba2.4 Bi1.6 F9.6016 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Wahbi, M; Senegas; Soo, S K","Neutron diffraction investigation of the Ba~1-x~Bi~x~F~2-x~ solid solution","Solid State Communications","1992","82","2","63","70","10.1016/0038-1098(92)90673-W","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008594","3.8714","0.0005","3.8714","0.0005","23.269","0.007","90","","90","","90","","348.7","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Thallium barium copper oxide (1.9/2/1.1/6)","","- Ba2 Cu1.06 O6 Tl1.94 -","- Ba2 Cu1.0592 O6 Tl1.9408 -","- Ba4 Cu2.1184 O12 Tl3.8816 -","2","0.0625","","Opagiste, C; Couach, M; Khoder, A F; Abraham, R; Jondo, T K; Jorda, J L; Cohen-Adad, M T; Junod, A; Triscone, G; Muller, J","A new elaboration process of the superconducting Tl~2~Ba~2~CuO~6~ phase with T~c~=90K","Journal of Alloys Compd.","1993","195","","47","52","10.1016/0925-8388(93)90684-F","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008595","8.398","0.001","8.398","0.001","8.398","0.001","90","","90","","90","","592.3","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium titanium oxide (0.9/2/4)","","- Li0.93 O4 Ti2 -","- Li0.93 O4 Ti2 -","- Li7.44 O32 Ti16 -","8","0.0416667","","Moshopoulou, E; Bordet, P; Capponi, J J; Chaillout, C; Souletie, B; Sulpice, A","Evolution of structure and superconductivity with lithium content in Li~1-x~Ti~2~O~4~","Journal of Alloys Compd.","1993","195","","81","84","10.1016/0925-8388(93)90692-G","","","","","","0.007","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008596","8.387","0.001","8.387","0.001","8.387","0.001","90","","90","","90","","590","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium titanium oxide (0.9/2/4)","","- Li0.89 O4 Ti2 -","- Li0.89 O4 Ti2 -","- Li7.12 O32 Ti16 -","8","0.0416667","","Moshopoulou, E; Bordet, P; Capponi, J J; Chaillout, C; Souletie, B; Sulpice, A","Evolution of structure and superconductivity with lithium content in Li~1-x~Ti~2~O~4~","Journal of Alloys Compd.","1993","195","","81","84","10.1016/0925-8388(93)90692-G","","","","","","0.01","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008597","8.386","0.001","8.386","0.001","8.386","0.001","90","","90","","90","","589.7","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium titanium oxide (0.9/2/4)","","- Li0.86 O4 Ti2 -","- Li0.86 O4 Ti2 -","- Li6.88 O32 Ti16 -","8","0.0416667","","Moshopoulou, E; Bordet, P; Capponi, J J; Chaillout, C; Souletie, B; Sulpice, A","Evolution of structure and superconductivity with lithium content in Li~1-x~Ti~2~O~4~","Journal of Alloys Compd.","1993","195","","81","84","10.1016/0925-8388(93)90692-G","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008598","6.2165","0.0006","6.2165","0.0006","12.326","0.001","90","","90","","90","","476.3","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Nickel titanium hydride (1/1/0.95)","","- H0.95 Ni Ti -","- H0.95 Ni Ti -","- H15.2 Ni16 Ti16 -","16","0.5","","Soubeyroux, J L; Fruchart, D; Lorthioir, G; Ochin, P; Colin, D","Structural study of the hydrides NiTiH~x~ (x=1.0 and 1.4)","Journal of Alloys Compd.","1993","196","","127","132","10.1016/0925-8388(93)90582-8","","","","","","0.011","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008599","6.2364","0.0005","6.2364","0.0005","12.424","0.002","90","","90","","90","","483.2","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Nickel titanium deuteride (1/1/1.4)","","- D1.4 Ni Ti -","- D1.4 Ni Ti -","- D22.4 Ni16 Ti16 -","16","0.5","","Soubeyroux, J L; Fruchart, D; Lorthioir, G; Ochin, P; Colin, D","Structural study of the hydrides NiTiH~x~ (x=1.0 and 1.4)","Journal of Alloys Compd.","1993","196","","127","132","10.1016/0925-8388(93)90582-8","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008600","8.802","","8.802","","12.737","","90","","90","","120","","854.6","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Thorium iron nitride (2/17/3)","","- Fe17 N2.964 Th2 -","- Fe17 N2.964 Th2 -","- Fe51 N8.892 Th6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Deportes, J; Buschow, K H J","Structural study and magnetic characterization of Th~2~Fe~17~D~5~, Th~2~Fe~17~C~x~H~5-x~ and Th~2~Fe~17~N~3~","Journal of Physics: Condensed Matter","1993","5","","5481","5490","10.1088/0953-8984/5/31/012","","","","","","0.008","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008601","8.7653","","8.7653","","12.691","","90","","90","","120","","844.4","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Thorium iron nitride (2/17/3)","","- Fe17 N2.964 Th2 -","- Fe17 N2.964 Th2 -","- Fe51 N8.892 Th6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Deportes, J; Buschow, K H J","Structural study and magnetic characterization of Th~2~Fe~17~D~5~, Th~2~Fe~17~C~x~H~5-x~ and Th~2~Fe~17~N~3~","Journal of Physics: Condensed Matter","1993","5","","5481","5490","10.1088/0953-8984/5/31/012","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008602","8.7116","","8.7116","","12.624","","90","","90","","120","","829.7","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Thorium iron deuteride (2/17/5)","","- D4.956 Fe17 Th2 -","- D4.956 Fe17 Th2 -","- D14.868 Fe51 Th6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Deportes, J; Buschow, K H J","Structural study and magnetic characterization of Th~2~Fe~17~D~5~, Th~2~Fe~17~C~x~H~5-x~ and Th~2~Fe~17~N~3~","Journal of Physics: Condensed Matter","1993","5","","5481","5490","10.1088/0953-8984/5/31/012","","","","","","0.007","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008603","8.682","","8.682","","12.56","","90","","90","","120","","819.9","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Thorium iron deuteride (2/17/4.7)","","- D4.668 Fe17 Th2 -","- D4.668 Fe17 Th2 -","- D14.004 Fe51 Th6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Deportes, J; Buschow, K H J","Structural study and magnetic characterization of Th~2~Fe~17~D~5~, Th~2~Fe~17~C~x~H~5-x~ and Th~2~Fe~17~N~3~","Journal of Physics: Condensed Matter","1993","5","","5481","5490","10.1088/0953-8984/5/31/012","","","","","","0.01","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008604","8.7457","","8.7457","","12.65","","90","","90","","120","","837.9","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Thorium iron carbide hydride (2/17/0.6/4.3)","","- Fe17 H4.272 Th2 -","- C0.624 H4.272 Fe17 Th2 -","- C1.872 H12.816 Fe51 Th6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Deportes, J; Buschow, K H J","Structural study and magnetic characterization of Th~2~Fe~17~D~5~, Th~2~Fe~17~C~x~H~5-x~ and Th~2~Fe~17~N~3~","Journal of Physics: Condensed Matter","1993","5","","5481","5490","10.1088/0953-8984/5/31/012","","","","","","0.005","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008605","8.751","","8.751","","12.643","","90","","90","","120","","838.5","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Thorium iron carbide hydride (2/17/0.6/4.3)","","- Fe17 H4.284 Th2 -","- C0.588 H4.284 Fe17 Th2 -","- C1.764 H12.852 Fe51 Th6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Deportes, J; Buschow, K H J","Structural study and magnetic characterization of Th~2~Fe~17~D~5~, Th~2~Fe~17~C~x~H~5-x~ and Th~2~Fe~17~N~3~","Journal of Physics: Condensed Matter","1993","5","","5481","5490","10.1088/0953-8984/5/31/012","","","","","","0.004","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008606","6.479","0.003","6.569","0.003","6.559","0.003","96.89","0.04","93.44","0.04","95.74","0.04","275","","","","","","","","","","","","","3","P -1","-P 1","2","","COPPER MOLYBDENUM SULFIDE (1.8/6/8) - AT 250K","","- Cu1.8 Mo6 S8 -","- Cu1.8 Mo6 S8 -","- Cu1.8 Mo6 S8 -","1","0.5","","Baillif, R; Yvon, K; Fluekiger, R; Muller, J","The tricilic structure of Cu~1.8~ Mo~6~ S~8~ in the superconducting state","Journal of Low Temperature Physics","1979","37","","2319","2379","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008607","12.7853","","12.7853","","12.7853","","90","","90","","90","","2089.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Manganese yttrium deuteride (23/6/8.3)","","- D8.3 Mn23 Y6 -","- D8.3 Mn23 Y6 -","- D33.2 Mn92 Y24 -","4","0.0208333","","Commandre, M; Fruchart, D; Rouault, A; Sauvage, D; Shoemaker, C B; Shoemaker, D P","Etude par diffraction neutronique des composes Mn~23~ Y~6~ D~x~","Journal de Physique (Paris)","1979","40","","L639","L642","","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008608","12.799","","12.799","","12.799","","90","","90","","90","","2096.7","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Manganese yttrium deuteride (23/6/18)","","- D18 Mn23 Y6 -","- D18 Mn23 Y6 -","- D72 Mn92 Y24 -","4","0.0208333","","Commandre, M; Fruchart, D; Rouault, A; Sauvage, D; Shoemaker, C B; Shoemaker, D P","Etude par diffraction neutronique des composes Mn~23~ Y~6~ D~x~","Journal de Physique (Paris)","1979","40","","L639","L642","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008609","12.84","","12.84","","12.84","","90","","90","","90","","2116.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Manganese yttrium deuteride (23/6/23)","","- D23 Mn23 Y6 -","- D22.92 Mn23 Y6 -","- D91.68 Mn92 Y24 -","4","0.0208333","","Commandre, M; Fruchart, D; Rouault, A; Sauvage, D; Shoemaker, C B; Shoemaker, D P","Etude par diffraction neutronique des composes Mn~23~ Y~6~ D~x~","Journal de Physique (Paris)","1979","40","","L639","L642","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008610","5.9454","0.0003","5.9454","0.0003","5.9454","0.0003","90","","90","","90","","210.2","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead thorium fluoride (.98/.03/2.05)","","- F2.05 Pb0.975 Th0.025 -","- F2.04 Pb0.975 Th0.025 -","- F8.16 Pb3.9 Th0.1 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~","Solid State Ionics","1981","2","","215","229","10.1016/0167-2738(81)90181-8","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008611","5.9465","0.0003","5.9465","0.0003","5.9465","0.0003","90","","90","","90","","210.3","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead thorium fluoride (.95/.05/2.1)","","- F2.1 Pb0.95 Th0.05 -","- F2.08 Pb0.95 Th0.05 -","- F8.32 Pb3.8 Th0.2 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~","Solid State Ionics","1981","2","","215","229","10.1016/0167-2738(81)90181-8","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008612","5.9528","0.0003","5.9528","0.0003","5.9528","0.0003","90","","90","","90","","210.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead thorium fluoride (.9/.1/2.2)","","- F2.2 Pb0.9 Th0.1 -","- F2.18 Pb0.9 Th0.1 -","- F8.72 Pb3.6 Th0.4 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~","Solid State Ionics","1981","2","","215","229","10.1016/0167-2738(81)90181-8","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008613","5.957","0.0003","5.957","0.0003","5.957","0.0003","90","","90","","90","","211.4","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead thorium fluoride (.88/.13/2.25)","","- F2.25 Pb0.875 Th0.125 -","- F2.256 Pb0.875 Th0.125 -","- F9.024 Pb3.5 Th0.5 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~","Solid State Ionics","1981","2","","215","229","10.1016/0167-2738(81)90181-8","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008614","5.9581","0.0003","5.9581","0.0003","5.9581","0.0003","90","","90","","90","","211.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead thorium fluoride (.85/.15/2.3)","","- F2.3 Pb0.85 Th0.15 -","- F2.28 Pb0.85 Th0.15 -","- F9.12 Pb3.4 Th0.6 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~","Solid State Ionics","1981","2","","215","229","10.1016/0167-2738(81)90181-8","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008615","5.9644","0.0003","5.9644","0.0003","5.9644","0.0003","90","","90","","90","","212.2","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead thorium fluoride (.8/.2/2.4)","","- F2.4 Pb0.8 Th0.2 -","- F2.376 Pb0.8 Th0.2 -","- F9.504 Pb3.2 Th0.8 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C","Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~","Solid State Ionics","1981","2","","215","229","10.1016/0167-2738(81)90181-8","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008616","5.9687","0.0003","5.9687","0.0003","5.9687","0.0003","90","","90","","90","","212.6","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lead thorium fluoride (.77/.23/2.46)","","- F2.46 Pb0.77 Th0.23 -","- F2.456 Pb0.77 Th0.23 -","- F9.824 Pb3.08 Th0.92 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C","Etude par diffracton de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~","Solid State Ionics","1981","2","","215","229","10.1016/0167-2738(81)90181-8","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008617","8.383","0.007","8.383","0.007","8.383","0.007","90","","90","","90","","589.1","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Cerium ruthenium deuteride (1/1.9/5.2)","","- Ce D5.196 Ru1.86 -","- Ce D5.196 Ru1.86 -","- Ce8 D41.568 Ru14.88 -","8","0.0416667","","Fruchart, D; Vaillant, F; Roudaut, E; Nemoz, A; Tessema, X G","Etude par diffraction neutronique de Ce Ru~2~ D~5~","Physica Status Solidi, Sectio A: Applied Research","1981","67","","K19","K24","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008618","5.9381","0.0004","5.9381","0.0004","5.9381","0.0004","90","","90","","90","","209.4","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium bismuth fluoride (.5/.5/2)","","- Bi0.5 F2 K0.5 -","- Bi0.5 F1.98 K0.5 -","- Bi2 F7.92 K2 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008619","5.9391","0.0005","5.9391","0.0005","5.9391","0.0005","90","","90","","90","","209.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium bismuth fluoride (.48/.52/2.04)","","- Bi0.52 F2.04 K0.48 -","- Bi0.52 F2.06 K0.48 -","- Bi2.08 F8.24 K1.92 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008620","5.9224","0.0004","5.9224","0.0004","5.9224","0.0004","90","","90","","90","","207.7","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium bismuth fluoride (.45/.55/2.10)","","- Bi0.55 F2.1 K0.45 -","- Bi0.55 F2.16 K0.45 -","- Bi2.2 F8.64 K1.8 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008621","5.9142","0.0008","5.9142","0.0008","5.9142","0.0008","90","","90","","90","","206.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium bismuth fluoride (.4/.6/2.2)","","- Bi0.6 F2.2 K0.4 -","- Bi0.6 F2.2 K0.4 -","- Bi2.4 F8.8 K1.6 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008622","5.8885","0.0003","5.8885","0.0003","5.8885","0.0003","90","","90","","90","","204.2","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium bismuth fluoride (.35/.65/2.30)","","- Bi0.65 F2.3 K0.35 -","- Bi0.65 F2.36 K0.35 -","- Bi2.6 F9.44 K1.4 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008623","5.8895","0.0003","5.8895","0.0003","5.8895","0.0003","90","","90","","90","","204.3","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium bismuth fluoride (.3/.7/2.4)","","- Bi0.7 F2.4 K0.3 -","- Bi0.7 F2.42 K0.3 -","- Bi2.8 F9.68 K1.2 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008624","6.0548","0.0004","6.0548","0.0004","6.0548","0.0004","90","","90","","90","","222","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium bismuth fluoride (.5/.5/2)","","- Bi0.5 F2 Rb0.5 -","- Bi0.5 F1.98 Rb0.5 -","- Bi2 F7.92 Rb2 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008625","6.0567","0.0012","6.0567","0.0012","6.0567","0.0012","90","","90","","90","","222.2","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium bismuth fluoride (.48/.52/2.04)","","- Bi0.52 F2.04 Rb0.48 -","- Bi0.52 F1.98 Rb0.48 -","- Bi2.08 F7.92 Rb1.92 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008626","6.0445","0.0004","6.0445","0.0004","6.0445","0.0004","90","","90","","90","","220.8","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium bismuth fluoride (.45/.55/2.10)","","- Bi0.55 F2.1 Rb0.45 -","- Bi0.55 F2.08 Rb0.45 -","- Bi2.2 F8.32 Rb1.8 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008627","6.0423","0.0012","6.0423","0.0012","6.0423","0.0012","90","","90","","90","","220.6","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium bismuth fluoride (.4/.6/2.2)","","- Bi0.6 F2.2 Rb0.4 -","- Bi0.6 F2.16 Rb0.4 -","- Bi2.4 F8.64 Rb1.6 -","4","0.0208333","","Soubeyroux, J L; Reau, J M; Matar, S; Villeneuve, G; Hagenmueller, P","Etude par diffraction neutronique des solutions solides K~1-x~ Bi~x~ F~1+2x~ et Rb~1-x~ Bi~x~ F~1+2x~","Solid State Ionics","1982","6","","103","111","10.1016/0167-2738(82)90102-3","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008628","12.376","","12.376","","12.376","","90","","90","","90","","1895.6","","","","","","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","Triyttrium pentairon(III) oxide","","- Fe5 O12 Y3 -","- Fe5 O12 Y3 -","- Fe40 O96 Y24 -","8","0.0833333","","Bertaut, F; Forrat, F; Herpin, A; Meriel, P","Etude par diffraction de neutrons du grenat ferrimagnetique Y~3~ Fe~5~ O~12~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1956","243","","898","901","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008629","6.627","0.001","6.627","0.001","6.627","0.001","90","","90","","90","","291","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Uranium trideuteride -β","","- D3 U -","- D3 U -","- D24 U8 -","8","0.166667","","Bartscher, W.; Boeuf, A.; Caciuffo, R.; Fournier, J. M.; Kuhs, W. F.; Rebizant, J.; Rustichelli, F.","Neutron diffraction study of β-UD~3~ and β-UH~3~","Solid State Communications","1985","53","53","423","426","10.1016/0038-1098(85)91000-2","","","","","","","","","","","","","","","","","","","","","has coordinates","200124","2020-10-21","18:00:00",""
"1008630","6.643","0.001","6.643","0.001","6.643","0.001","90","","90","","90","","293.2","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Uranium trihydride - β","","- H3 U -","- H3 U -","- H24 U8 -","8","0.166667","","Bartscher, W.; Boeuf, A.; Caciuffo, R.; Fournier, J. M.; Kuhs, W. F.; Rebizant, J.; Rustichelli, F.","Neutron diffraction study of β-U D~3~ and β-U H~3~","Solid State Communications","1985","53","53","423","426","10.1016/0038-1098(85)91000-2","","","","","","","","","","","","","","","","","","","","","has coordinates","200124","2020-10-21","18:00:00",""
"1008633","7.455","","7.455","","7.455","","90","","90","","90","","414.3","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Neodymium copper ruthenium oxide (1/3/4/12)","","- Cu3 Nd O12 Ru4 -","- Cu3 Nd O12 Ru4 -","- Cu6 Nd2 O24 Ru8 -","2","0.0416667","","Muller, J; Haouzi, A; Laviron, C; Labeau, M; Joubert, J C","Conductivie electrique et caracterisation cristallographique des composes type perovskite Nd Cu~3~ Ru~x~ Ti~4-x~ O~12~ (1<x<4) et Nd~(2+x)/3~ Cu~3~ Ru~x~ Ti~4-x~ O~12~ (x<1)","Materials Research Bulletin","1986","21","","1131","1136","10.1016/0025-5408(86)90230-8","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008634","7.1226","0.0001","7.1226","0.0001","66.2","0.1","90","","90","","90","","3358.4","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Neodymium iron boride (19/68/68)","","- B68 Fe68 Nd19 -","- B68 Fe68 Nd19 -","- B136 Fe136 Nd38 -","2","0.25","","Bezinge, A; Yvon, K; Braun, H F; Muller, J; Nissen, H U","Nd~1+e~ Fe~4~ B~4~: A composition-modulated compound with incommensurate composite crystal structure.","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1987","36","","1406","1414","10.1103/PhysRevB.36.1406","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008636","8.4325","0.0008","8.4325","0.0001","8.4325","0.0001","90","","90","","90","","599.6","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium iron oxide (9.3/21.3/32)","","- Fe21.34 Li9.28 O32 -","- Fe21.336 Li9.28 O32 -","- Fe21.336 Li9.28 O32 -","1","0.00520833","","Pernet, M.; Strobel, P.; Bonnet, B.; Bordet, P.; Chabre, Y.","Structural and electrochemical study of lithium insertion into γ-Fe~2~O~3~","Solid State Ionics","1993","66","","259","265","10.1016/0167-2738(93)90415-Y","","","","","","0.0565","","","","","","","","","","","","","","","has coordinates","189456","2020-10-21","18:00:00",""
"1008637","8.4328","0.0008","8.4328","0.0001","8.4328","0.0001","90","","90","","90","","599.7","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium iron oxide (9.1/21.3/32)","","- Fe21.33 Li9.07 O32 -","- Fe21.336 Li9.072 O32 -","- Fe21.336 Li9.072 O32 -","1","0.00520833","","Pernet, M.; Strobel, P.; Bonnet, B.; Bordet, P.; Chabre, Y.","Structural and electrochemical study of lithium insertion into γ-Fe~2~O~3~","Solid State Ionics","1993","66","","259","265","10.1016/0167-2738(93)90415-Y","","","","","","0.0737","","","","","","","","","","","","","","","has coordinates","189456","2020-10-21","18:00:00",""
"1008638","3.8984","0.0003","3.8984","0.0003","11.613","0.001","90","","90","","90","","176.5","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Barium praseodymium copper oxide (2/1/3/6.9)","","- Ba2 Cu3 O6.9 Pr -","- Ba2 Cu3 O6.9 Pr -","- Ba2 Cu3 O6.9 Pr -","1","0.0625","","Amador, U; Moran, E; Alario-Franco, M A; Ibanez, J; Martin, J; Rey, T S","On the oxidation-reduction of Ba~2~PrCu~3~O~y~ single crystals","Solid State Ionics","1993","63","","858","865","","","","","","","0.0372","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008639","3.8918","0.0002","3.8918","0.0002","11.6484","0.0008","90","","90","","90","","176.4","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Barium praseodymium copper oxide (2/1/3/6.98)","","- Ba2 Cu3 O6.98 Pr -","- Ba2 Cu3 O6.984 Pr -","- Ba2 Cu3 O6.984 Pr -","1","0.0625","","Amador, U; Moran, E; Alario-Franco, M A; Ibanez, J; Martin, J; Rey, T S","On the oxidation-reduction of Ba~2~PrCu~3~O~y~ single crystals","Solid State Ionics","1993","63","","858","865","","","","","","","0.0394","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008640","3.9048","0.0003","3.9048","0.0003","11.648","0.001","90","","90","","90","","177.6","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Barium praseodymium copper oxide (2/1/3/7.5)","","- Ba2 Cu3 O7.5 Pr -","- Ba2 Cu3 O7.5 Pr -","- Ba2 Cu3 O7.5 Pr -","1","0.0625","","Amador, U; Moran, E; Alario-Franco, M A; Ibanez, J; Martin, J; Rey, T S","On the oxidation-reduction of Ba~2~PrCu~3~O~y~ single crystals","Solid State Ionics","1993","63","","858","865","","","","","","","0.0377","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008641","8.5325","","8.5325","","12.4554","","90","","90","","120","","785.3","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Niobium iron silicide (2/12.9/4.1)","","- Fe12.91 Nd2 Si4.09 -","- Fe12.908 Nd2 Si4.092 -","- Fe38.724 Nd6 Si12.276 -","3","0.0833333","","Long, G J; Marasinghe, G K; Mishra, S; Pringle, O A; Grandjean, F; Buschow, K H J; Middleton, D P; Yelon, W B; Pourarian, F; Isnard, O","A neutron diffraction and Moessbauer effect study of the Nd~2~Fe~17- x~Si~x~ solid solutions","Solid State Communications","1993","88","10","761","764","10.1016/0038-1098(93)90872-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008642","8.276","0.001","8.276","0.001","4.82","0.001","90","","90","","90","","330.1","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Yttrium iron titanium deuteride (2/17.2/2.3/2.4)","","- D2.35 Fe17.17 Ti2.28 Y2 -","- D2.352 Fe17.168 Ti2.288 Y2 -","- D2.352 Fe17.168 Ti2.288 Y2 -","1","0.0625","","Revel, R; Tomey, E; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Crystal structure and magnetic properties of the ternary compound YFe~8.6~Ti~1.1~ and its hydride","Journal of Alloys Compd.","1993","202","","57","61","10.1016/0925-8388(93)90517-Q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008643","5.4644","0.0001","5.457","0.0001","12.7035","0.0002","90","","90","","90","","378.8","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Lanthanum nickel oxide (2/1/4.2)","","- La2 Ni O4.24 -","- La2 Ni O4.2396 -","- La8 Ni4 O16.9584 -","4","0.125","","Demourgues, A; Wattiaux, A; Grenier, J C; Pouchard, M; Soubeyroux, J L; Dance, J M; Hagenmuller, P","Electrochemical preparation and structural characterization of La~2~NiO~4+d~ phases (0<d<0.25)","Journal of Solid State Chemistry","1993","105","","458","468","10.1006/jssc.1993.1238","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008644","5.55548","0.00004","7.84868","0.00006","5.55349","0.00005","90","","90","","90","","242.1","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lanthanum vanadate(III)","","- La O3 V -","- La O3 V -","- La4 O12 V4 -","4","0.5","","Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B","Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K","Journal of Solid State Chemistry","1993","106","","253","270","10.1006/jssc.1993.1285","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008645","5.5581","0.00004","7.83421","0.00006","5.54862","0.00005","90","","90","","90","","241.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lanthanum vanadate(III)","","- La O3 V -","- La O3 V -","- La4 O12 V4 -","4","0.5","","Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B","Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K","Journal of Solid State Chemistry","1993","106","","253","270","10.1006/jssc.1993.1285","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008646","5.5936","0.00004","7.75951","0.00005","5.5649","0.00003","90","","90","","90.125","0.0004","241.5","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","Lanthanum vanadate(III)","","- La O3 V -","- La O3 V -","- La4 O12 V4 -","4","1","","Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B","Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K","Journal of Solid State Chemistry","1993","106","","253","270","10.1006/jssc.1993.1285","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008647","5.5917","0.0003","7.7516","0.0004","5.5623","0.0003","90","","90","","90.129","0.006","241.1","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","Lanthanum vanadate(III)","","- La O3 V -","- La O3 V -","- La4 O12 V4 -","4","1","","Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B","Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K","Journal of Solid State Chemistry","1993","106","","253","270","10.1006/jssc.1993.1285","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008649","3.8184","0.0003","3.8857","0.0002","11.701","0.001","90","","90","","90","","173.6","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.9)","","- Ba2 Cu3 O6.877 Y -","- Ba2 Cu3 O6.877 Y -","- Ba2 Cu3 O6.877 Y -","1","0.125","","Sullivan, J D; Bordet, P; Marezio, M; Takenaka, K; Uchida, S","Electron-density Fourier maps of an untwinned YBa~2~Cu~3~O~6.877~ single crystal by x-ray-diffraction data","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","14","10638","10641","10.1103/PhysRevB.48.10638","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008650","17.06099","0.003","11.41","0.002","7.687","0.002","90","","102.29","0.02","90","","1462.1","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Heptabarium manganese hexairon(III) fluoride","","- Ba7 F34 Fe6 Mn -","- Ba7 F34 Fe6 Mn -","- Ba14 F68 Fe12 Mn2 -","2","0.25","","le Lirzin, A; Soubeyroux, J L; Tressaud, A; Georges, R; Darriet, J","Systemes magnetiques de basse dimensionnalite dans des fluorures de type usovite et jarlite","Journal de Chimie Physique et de Physico-Chimie Biologique","1991","88","","2173","2189","","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008651","5.865","0.001","5.865","0.001","43.48599","0.004","90","","90","","120","","1295.4","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Barium magnesium iron oxide (0.99/0.7/6.3/11)","","- Ba0.99 Fe6.295 Mg0.705 O11 -","- Ba0.99 Fe6.295 Mg0.705 O11 -","- Ba5.94 Fe37.77 Mg4.23 O66 -","6","0.166667","","Collomb, A; Muller, J; Fournier, T","Magnesium location in the barium-magnesium-iron Y-type hexagonal ferrite","Materials Research Bulletin","1993","28","","621","627","10.1016/0025-5408(93)90105-M","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008652","5.399","0.001","5.399","0.001","8.828","0.002","90","","90","","120","","222.9","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium manganese aluminium deuteride (1/1.6/0.4/2.8)","","- Al0.384 D2.76 Mn1.616 Zr -","- Al0.384 D2.7585 Mn1.616 Zr -","- Al1.536 D11.034 Mn6.464 Zr4 -","4","0.166667","","Soubeyroux, J L; Pontonnier, L; Miraglia, S; Isnard, O; Fruchart, D; Akiba, E; Hayakawa, H; Fujitani, S; Yonezu, I","Crystal structure and microstructure analysis of alloys Zr(Mn~1- x~M~x~)~2~H~y~ with M=V,Fe,Co,Ni,Al and their hydrides","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1993","179","","187","198","10.1524/zpch.1993.179.Part_1_2.187","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008653","5.4616","0.0004","5.4616","0.0004","8.8959","0.0006","90","","90","","120","","229.8","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium manganese vanadium deuteride (1/1.6/0.4/3.5)","","- D3.54 Mn1.601 V0.399 Zr -","- D3.54 Mn1.601 V0.399 Zr -","- D14.16 Mn6.404 V1.596 Zr4 -","4","0.166667","","Soubeyroux, J L; Pontonnier, L; Miraglia, S; Isnard, O; Fruchart, D; Akiba, E; Hayakawa, H; Fujitani, S; Yonezu, I","Crystal structure and microstructure analysis of alloys Zr(Mn~1- x~M~x~)~2~H~y~ with M=V,Fe,Co,Ni,Al and their hydrides","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1993","179","","187","198","10.1524/zpch.1993.179.Part_1_2.187","","","","","","0.011","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008654","5.3935","0.0008","5.3935","0.0008","8.791","0.002","90","","90","","120","","221.5","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium manganese iron deuteride (1/1.6/0.4/3.2)","","- D3.22 Fe0.366 Mn1.634 Zr -","- D3.22035 Fe0.366 Mn1.634 Zr -","- D12.8814 Fe1.464 Mn6.536 Zr4 -","4","0.166667","","Soubeyroux, J L; Pontonnier, L; Miraglia, S; Isnard, O; Fruchart, D; Akiba, E; Hayakawa, H; Fujitani, S; Yonezu, I","Crystal structure and microstructure analysis of alloys Zr(Mn~1- x~M~x~)~2~H~y~ with M=V,Fe,Co,Ni,Al and their hydrides","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1993","179","","187","198","10.1524/zpch.1993.179.Part_1_2.187","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008655","5.3915","0.0007","5.3915","0.0007","8.78","0.001","90","","90","","120","","221","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium manganese cobalt deuteride (1/1.5/0.5/3.4)","","- Co0.477 D3.36 Mn1.523 Zr -","- Co0.477 D3.3603 Mn1.523 Zr -","- Co1.908 D13.4412 Mn6.092 Zr4 -","4","0.166667","","Soubeyroux, J L; Pontonnier, L; Miraglia, S; Isnard, O; Fruchart, D; Akiba, E; Hayakawa, H; Fujitani, S; Yonezu, I","Crystal structure and microstructure analysis of alloys Zr(Mn~1- x~M~x~)~2~H~y~ with M=V,Fe,Co,Ni,Al and their hydrides","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1993","179","","187","198","10.1524/zpch.1993.179.Part_1_2.187","","","","","","0.009","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008656","5.371","0.003","5.371","0.003","8.729","0.005","90","","90","","120","","218.1","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium manganese nickel deuteride (1/1.7/0.3/2.9)","","- D2.85 Mn1.658 Ni0.342 Zr -","- D2.8497 Mn1.658 Ni0.342 Zr -","- D11.3988 Mn6.632 Ni1.368 Zr4 -","4","0.166667","","Soubeyroux, J L; Pontonnier, L; Miraglia, S; Isnard, O; Fruchart, D; Akiba, E; Hayakawa, H; Fujitani, S; Yonezu, I","Crystal structure and microstructure analysis of alloys Zr(Mn~1- x~M~x~)~2~H~y~ with M=V,Fe,Co,Ni,Al and their hydrides","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1993","179","","187","198","10.1524/zpch.1993.179.Part_1_2.187","","","","","","0.011","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008657","14.546","0.01","15.211","0.01","9.86","0.006","90","","105.12","0.04","90","","2106.1","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Dipotassium tetramanganese cyclo-decaphosphate 18-hydrate","","- H36 K2 Mn4 O48 P10 -","- H36 K2 Mn4 O48 P10 -","- H72 K4 Mn8 O96 P20 -","2","0.5","","Schuelke, U; Averbuch-Pouchot, M T","Preparation and crystal structure of potassium manganese cyclodecaphosphate octadecahydrate: K~2~Mn~4~P~10~O~30~ . 18H~2~O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","545","550","10.1002/zaac.19946200327","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008658","11.896","0.009","12.663","0.007","8.079","0.008","90","","94.33","0.07","90","","1213.5","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Dizinc dicaesium cyclo-hexaphosphate octahydrate","","- Cs2 H16 O26 P6 Zn2 -","- Cs2 H16 O26 P6 Zn2 -","- Cs4 H32 O52 P12 Zn4 -","2","1","","Abid, S; Rzaigui, M; Averbuch-Pouchot, M T","Chemical preparation, structural investigation, and thermal behavior of a new cyclohexaphosphate: Zn~2~Cs~2~P~6~O~18~.8H~2~O","Journal of Solid State Chemistry","1994","110","","180","184","10.1006/jssc.1994.1154","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008659","3.873","0.0003","3.873","0.0003","12.7323","0.0009","90","","90","","90","","191","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Distrontium ruthenium(IV) oxide","","- O4 Ru Sr2 -","- O4 Ru Sr2 -","- O8 Ru2 Sr4 -","2","0.0625","","Huang, Q; Soubeyroux, J L; Chmaissem, O; Natali Sora, I; Santoro, A; Cava, R J; Krajewski, J J; Peck, W F jr","Neutron powder diffraction study of the crystal structures of Sr~2~RuO~4~ and Sr~2~IrO~4~ at room temperature and at 10K","Journal of Solid State Chemistry","1994","112","","355","361","10.1006/jssc.1994.1316","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008660","3.86358","0.00007","3.86358","0.00007","12.7155","0.0004","90","","90","","90","","189.8","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Distrontium ruthenium(IV) oxide","","- O4 Ru Sr2 -","- O4 Ru Sr2 -","- O8 Ru2 Sr4 -","2","0.0625","","Huang, Q; Soubeyroux, J L; Chmaissem, O; Natali Sora, I; Santoro, A; Cava, R J; Krajewski, J J; Peck, W F jr","Neutron powder diffraction study of the crystal structures of Sr~2~RuO~4~ and Sr~2~IrO~4~ at room temperature and at 10K","Journal of Solid State Chemistry","1994","112","","355","361","10.1006/jssc.1994.1316","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008661","5.4994","0.0001","5.4994","0.0001","25.78409","0.0008","90","","90","","90","","779.8","","","","","","","","","","","","","3","I 41/a c d :1","I 4bw 2aw -1bw","142","","Distrontium iridium(IV) oxide","","- Ir O4 Sr2 -","- Ir O4 Sr2 -","- Ir8 O32 Sr16 -","8","0.25","","Huang, Q; Soubeyroux, J L; Chmaissem, O; Natali Sora, I; Santoro, A; Cava, R J; Krajewski, J J; Peck, W F jr","Neutron powder diffraction study of the crystal structures of Sr~2~RuO~4~ and Sr~2~IrO~4~ at room temperature and at 10K","Journal of Solid State Chemistry","1994","112","","355","361","10.1006/jssc.1994.1316","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008662","5.48463","0.00009","5.48463","0.00009","25.7977","0.0007","90","","90","","90","","776","","","","","","","","","","","","","3","I 41/a c d :1","I 4bw 2aw -1bw","142","","Distrontium iridium(IV) oxide","","- Ir O4 Sr2 -","- Ir O4 Sr2 -","- Ir8 O32 Sr16 -","8","0.25","","Huang, Q; Soubeyroux, J L; Chmaissem, O; Natali Sora, I; Santoro, A; Cava, R J; Krajewski, J J; Peck, W F jr","Neutron powder diffraction study of the crystal structures of Sr~2~RuO~4~ and Sr~2~IrO~4~ at room temperature and at 10K","Journal of Solid State Chemistry","1994","112","","355","361","10.1006/jssc.1994.1316","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008663","15.429","0.008","11.794","0.005","14.369","0.009","90","","115.95","0.05","90","","2351.1","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Lithium cyclo-hexaphosphate hydrate (6/1/8.2)","","- H16.48 Li6 O26.24 P6 -","- H28.716 Li6 O26.238 P6 -","- H114.864 Li24 O104.952 P24 -","4","0.5","","Rzaigui, M; Bagieu, M","Synthesis and crystal structure of the lithium cyclohexaphosphate hydrate Li~6~P~6~O~18~ . 9H~2~O","Journal of Solid State Chemistry","1994","108","","11","17","10.1006/jssc.1994.1002","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008664","7.251","","7.251","","6.356","","90","","90","","90","","334.2","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Samarium(II) chromate","","- Cr O4 Sm -","- Cr O4 Sm -","- Cr4 O16 Sm4 -","4","0.125","","Buisson, G; Bertaut, F; Mareschal, J","Etude cristallographique des composes T Cr O4 (T= terre rare ou Y)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1964","259","","411","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008667","3.8684","0.0001","3.8684","0.0001","11.6596","0.0003","90","","90","","90","","174.5","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper cobalt oxide (1/2/2.7/0.4/7.3)","","- Ba2 Co0.345 Cu2.655 O7.29 Y -","- Ba2 Co0.345 Cu2.655 O7.286 Y -","- Ba2 Co0.345 Cu2.655 O7.286 Y -","1","0.0625","","Renevier, H; Hodeau, J L; Marezio, M; Santoro, A","Electron- and powder neutron-diffraction studies of Y Ba2 (Cu1-y Coy)3 O6+x with 0.05< y< 0.33","Physica C (Amsterdam) (152,1988-)","1994","220","","143","159","10.1016/0921-4534(94)90895-8","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008668","3.8865","0.0001","3.8865","0.0001","11.6425","0.0003","90","","90","","90","","175.9","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper cobalt oxide (1/2/2.4/0.6/7.3)","","- Ba2 Co0.57 Cu2.43 O7.34 Y -","- Ba2 Co0.57 Cu2.43 O7.34 Y -","- Ba2 Co0.57 Cu2.43 O7.34 Y -","1","0.0625","","Renevier, H; Hodeau, J L; Marezio, M; Santoro, A","Electron- and powder neutron-diffraction studies of Y Ba2 (Cu1-y Coy)3 O6+x with 0.05< y< 0.33","Physica C (Amsterdam) (152,1988-)","1994","220","","143","159","10.1016/0921-4534(94)90895-8","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008669","3.8772","0.0001","3.8772","0.0001","11.7352","0.0003","90","","90","","90","","176.4","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper cobalt oxide (1/2/2.6/0.4/6.9)","","- Ba2 Co0.38 Cu2.62 O6.91 Y -","- Ba2 Co0.38 Cu2.62 O6.91 Y -","- Ba2 Co0.38 Cu2.62 O6.91 Y -","1","0.0625","","Renevier, H; Hodeau, J L; Marezio, M; Santoro, A","Electron- and powder neutron-diffraction studies of Y Ba2 (Cu1-y Coy)3 O6+x with 0.05< y< 0.33","Physica C (Amsterdam) (152,1988-)","1994","220","","143","159","10.1016/0921-4534(94)90895-8","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008670","3.885","0.0001","3.885","0.0001","11.7055","0.0003","90","","90","","90","","176.7","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper cobalt oxide (1/2/2.4/0.6/7.1)","","- Ba2 Co0.554 Cu2.446 O7.12 Y -","- Ba2 Co0.554 Cu2.446 O7.12 Y -","- Ba2 Co0.554 Cu2.446 O7.12 Y -","1","0.0625","","Renevier, H; Hodeau, J L; Marezio, M; Santoro, A","Electron- and powder neutron-diffraction studies of Y Ba2 (Cu1-y Coy)3 O6+x with 0.05< y< 0.33","Physica C (Amsterdam) (152,1988-)","1994","220","","143","159","10.1016/0921-4534(94)90895-8","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008671","2.921","0.0009","2.921","0.0009","10.459","0.004","90","","90","","120","","77.3","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Lithium niobium(III) oxide","","- Li Nb O2 -","- Li Nb O2 -","- Li2 Nb2 O4 -","2","0.0833333","","Bordet, P; Moshopoulou, E; Liesert, S; Capponi, J J","Structure and physical properties of Li(1-x) Nb O2 single crystals","Physica C (Amsterdam) (152,1988-)","1994","235","","745","746","","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008672","2.9239","0.0004","2.9239","0.0004","20.91299","0.002","90","","90","","120","","154.8","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Lithium niobium oxide (0.8/1/2)","","- Li0.795 Nb O2 -","- Li0.795 Nb O2 -","- Li3.18 Nb4 O8 -","4","0.333333","","Bordet, P; Moshopoulou, E; Liesert, S; Capponi, J J","Structure and physical properties of Li(1-x) Nb O2 single crystals","Physica C (Amsterdam) (152,1988-)","1994","235","","745","746","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008673","7.436","0.002","7.436","0.002","7.436","0.002","90","","90","","90","","411.2","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Uranium osmium silicide (2/3.3/0.7)","","- Os3.32 Si0.68 U2 -","- Os3.32 Si0.68 U2 -","- Os13.28 Si2.72 U8 -","4","0.0208333","","Vernière, A.; Lejay, P.; Bordet, P.; Chenavas, J.; Brison, J. P.; Haen, P.; Boucherle, J. X.","Crystal structures and physical properties of some new ternary compounds U2 T3X (T= Ru, Os; X= Si, Ge)","Journal of Alloys and Compounds","1994","209","1-2","251","255","10.1016/0925-8388(94)91108-8","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1008674","3.86521","0.00007","3.86521","0.00007","15.6486","0.0004","90","","90","","90","","233.8","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury barium calcium copper oxide (0.69/2/2/3/8.6)","","- Ba2 Ca2 Cu3 Hg0.692 O8.6 -","- Ba2 Ca2 Cu3 Hg0.692 O8.6 -","- Ba2 Ca2 Cu3 Hg0.692 O8.6 -","1","0.0625","","Kopnin, E M; Antipov, E V; Capponi, J J; Bordet, P; Chaillout, C; de Brion, S; Marezio, M; Bobylev, A P; Van Tendeloo, G","Suppression of superconductivity in Hg-1223 and Hg-1234 by partial replacement of Hg by carbon","Physica C (Amsterdam) (152,1988-)","1995","243","","222","232","10.1016/0921-4534(95)00010-0","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008675","3.8639","0.00004","3.8639","0.00004","9.4771","0.0002","90","","90","","90","","141.5","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (0.96/2/1/4.34)","","- Ba2 Cu Hg0.96 O4.34 -","- Ba2 Cu Hg0.96 O4.34 -","- Ba2 Cu Hg0.96 O4.34 -","1","0.0625","","Alexandre, E T; Loureiro, S M; Antipov, E V; Bordet, P; de Brion, S; Capponi, J J; Marezio, M","On the possibility of replacing Hg by Cu in the Hg Ba2 Cu O(4+d) phase synthesized under high-pressure","Physica C (Amsterdam) (152,1988-)","1995","245","","207","211","10.1016/0921-4534(95)00094-1","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008676","3.86586","0.00005","3.86586","0.00005","9.4764","0.0003","90","","90","","90","","141.6","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (0.98/2/1/4.34)","","- Ba2 Cu Hg0.98 O4.34 -","- Ba2 Cu Hg0.98 O4.34 -","- Ba2 Cu Hg0.98 O4.34 -","1","0.0625","","Alexandre, E T; Loureiro, S M; Antipov, E V; Bordet, P; de Brion, S; Capponi, J J; Marezio, M","On the possibility of replacing Hg by Cu in the Hg Ba2 Cu O(4+d) phase synthesized under high-pressure","Physica C (Amsterdam) (152,1988-)","1995","245","","207","211","10.1016/0921-4534(95)00094-1","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008677","5.3204","0.0003","5.3796","0.0003","23.71399","0.001","90","","90","","90","","678.7","","","","","","","","","","","","","5","A m a a","-A 2a 2","66","","Bismuth lead distrontium manganese(III) oxide","","- Bi Mn O6 Pb Sr2 -","- Bi Mn O6 Pb Sr2 -","- Bi4 Mn4 O24 Pb4 Sr8 -","4","0.25","","Levy, D; Fu, W T; Ijdo, D J W; Catti, M","Crystal structure of Bi Pb Sr2 Mn O6 by powder neutron diffraction","Solid State Communications","1994","92","8","659","663","10.1016/0038-1098(94)90448-0","","","","","","0.0383","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008678","18.84799","0.003","10.918","0.002","3.9153","0.0005","90","","90","","90","","805.7","","","","","","","","","","","","","3","P n m m :2","-P 2c 2bc","59","","Erbium iridium silicide (4/13/9)","","- Er4 Ir13 Si9 -","- Er4 Ir13 Si9 -","- Er8 Ir26 Si18 -","2","0.25","","Verniere, A; Lejay, P; Bordet, P; Chenavas, J; Tholence, J L; Boucherle, J X; Keller, N","Crystal structure and physical properties of new ternary silicides R4 T13 X9 (R, rare earth or uranium; T, rhodium or iridium; X, silicon or germanium)","Journal of Alloys Compd.","1995","218","","197","203","10.1016/0925-8388(94)01400-0","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008679","7.1838","0.0002","9.7373","0.0003","5.6018","0.0002","90","","90","","90","","391.9","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Cerium iridium silicide (1/3/2)","","- Ce Ir3 Si2 -","- Ce Ir3 Si2 -","- Ce4 Ir12 Si8 -","4","0.25","","Verniere, A; Lejay, P; Bordet, P; Chenavas, J; Tholence, J L; Boucherle, J X; Keller, N","Crystal structure and physical properties of new ternary silicides R4 T13 X9 (R, rare earth or uranium; T, rhodium or iridium; X, silicon or germanium)","Journal of Alloys Compd.","1995","218","","197","203","10.1016/0925-8388(94)01400-0","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008680","5.381","0.003","5.381","0.003","8.798","0.006","90","","90","","120","","220.6","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium chromium manganese deuteride (1/1.8/0.2/2.46)","","- Cr1.8 D2.46 Mn0.2 Zr -","- Cr1.8 D2.46 Mn0.2 Zr -","- Cr7.2 D9.84 Mn0.8 Zr4 -","4","0.166667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; Pontonnier, L","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides","Journal of Alloys Compd.","1995","219","","48","54","10.1016/0925-8388(94)05019-8","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008681","5.374","0.002","5.374","0.002","8.784","0.004","90","","90","","120","","219.7","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium chromium iron deuteride (1/1.8/0.2/3.66)","","- Cr1.8 D3.66 Fe0.2 Zr -","- Cr1.8 D3.66 Fe0.2 Zr -","- Cr7.2 D14.64 Fe0.8 Zr4 -","4","0.166667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; Pontonnier, L","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides","Journal of Alloys Compd.","1995","219","","48","54","10.1016/0925-8388(94)05019-8","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008682","5.37","0.002","5.37","0.002","8.789","0.003","90","","90","","120","","219.5","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium chromium cobalt deuteride (1/1.8/0.2/3.62)","","- Co0.2 Cr1.8 D3.615 Zr -","- Co0.2 Cr1.8 D3.615 Zr -","- Co0.8 Cr7.2 D14.46 Zr4 -","4","0.166667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; Pontonnier, L","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides","Journal of Alloys Compd.","1995","219","","48","54","10.1016/0925-8388(94)05019-8","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008683","5.367","0.002","5.367","0.002","8.793","0.003","90","","90","","120","","219.3","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium chromium nickel deuteride (1/1.8/0.2/3.53)","","- Cr1.8 D3.525 Ni0.2 Zr -","- Cr1.8 D3.525 Ni0.2 Zr -","- Cr7.2 D14.1 Ni0.8 Zr4 -","4","0.166667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; Pontonnier, L","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides","Journal of Alloys Compd.","1995","219","","48","54","10.1016/0925-8388(94)05019-8","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008684","5.357","0.002","5.357","0.002","8.722","0.003","90","","90","","120","","216.8","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium chromium copper deuteride (1/1.8/0.2/3.68)","","- Cr1.8 Cu0.2 D3.684 Zr -","- Cr1.8 Cu0.2 D3.684 Zr -","- Cr7.2 Cu0.8 D14.736 Zr4 -","4","0.166667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; Pontonnier, L","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides","Journal of Alloys Compd.","1995","219","","48","54","10.1016/0925-8388(94)05019-8","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008685","7.68","0.002","7.68","0.002","7.68","0.002","90","","90","","90","","453","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Zirconium chromium deuteride (1/2/3.51)","","- Cr2 D3.51 Zr -","- Cr2 D3.51 Zr -","- Cr16 D28.08 Zr8 -","8","0.0416667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; Pontonnier, L","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides","Journal of Alloys Compd.","1995","219","","48","54","10.1016/0925-8388(94)05019-8","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008686","7.754","0.002","7.754","0.002","7.754","0.002","90","","90","","90","","466.2","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Zirconium chromium manganese deuteride (1/1.8/0.2/3.80)","","- Cr1.8 D3.8 Mn0.2 Zr -","- Cr1.8 D3.7996 Mn0.2 Zr -","- Cr14.4 D30.3968 Mn1.6 Zr8 -","8","0.0416667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; Pontonnier, L","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides","Journal of Alloys Compd.","1995","219","","48","54","10.1016/0925-8388(94)05019-8","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008687","7.6551","0.0008","7.6551","0.0008","7.6551","0.0008","90","","90","","90","","448.6","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Zirconium chromium iron deuteride (1/1.8/0.2/3.65)","","- Cr1.8 D3.65 Fe0.2 Zr -","- Cr1.8 D3.6504 Fe0.2 Zr -","- Cr14.4 D29.2032 Fe1.6 Zr8 -","8","0.0416667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; Pontonnier, L","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides","Journal of Alloys Compd.","1995","219","","48","54","10.1016/0925-8388(94)05019-8","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008688","7.6605","0.0007","7.6605","0.0007","7.6605","0.0007","90","","90","","90","","449.5","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Zirconium chromium cobalt deuteride (1/1.8/0.2/3.56)","","- Co0.2 Cr1.8 D3.56 Zr -","- Co0.2 Cr1.8 D3.5596 Zr -","- Co1.6 Cr14.4 D28.4768 Zr8 -","8","0.0416667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; Pontonnier, L","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides","Journal of Alloys Compd.","1995","219","","48","54","10.1016/0925-8388(94)05019-8","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008689","9.838","","9.838","","6.377","","90","","90","","90","","617.2","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Samarium cobalt silicon carbide (1/9/2/0.6)","","- C0.6 Co9 Si2 Sm -","- C0.6 Co9 Si2 Sm -","- C2.4 Co36 Si8 Sm4 -","4","0.125","","Skolozdra, R; Akselrud, L; Fruchart, D; Gignoux, D; Gorolenko, Yu; Soubeyroux, J L; Tomey, E","Magnetic and structural properties of new Sm Co9 Si2 Cx compounds (x=0.,0.6,0.9)","Journal of Magnetism and Magnetic Materials","1995","140","","915","916","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1008690","5.861","0.001","5.861","0.001","43.50299","0.003","90","","90","","120","","1294.2","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Barium zinc iron(III) oxide (1/1/6/11)","","- Ba0.98 Fe5.905 O11 Zn0.94 -","- Ba0.98 Fe5.945 O11 Zn0.94 -","- Ba5.88 Fe35.67 O66 Zn5.64 -","6","0.166667","","Collomb, A; Muller, J; Argoud, R","Low-temperature studies of two Y-type hexagonal ferrites: Ba Zn Fe6 O11 and Ba Co Fe6 O11","Journal of Magnetism and Magnetic Materials","1994","130","","367","376","10.1016/0304-8853(94)90696-3","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008691","5.851","0.001","5.851","0.001","43.45399","0.002","90","","90","","120","","1288.3","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Barium cobalt iron(III) oxide (1/1/6/11)","","- Ba0.96 Co0.985 Fe6.015 O11 -","- Ba0.96 Co0.985 Fe6.015 O11 -","- Ba5.76 Co5.91 Fe36.09 O66 -","6","0.166667","","Collomb, A; Muller, J; Argoud, R","Low-temperature studies of two Y-type hexagonal ferrites: Ba Zn Fe6 O11 and Ba Co Fe6 O11","Journal of Magnetism and Magnetic Materials","1994","130","","367","376","10.1016/0304-8853(94)90696-3","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008692","5.937","","5.937","","5.937","","90","","90","","90","","209.3","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.9/.1/.1/1.9)","","- Bi0.1 F1.9 O0.1 Pb0.9 -","- Bi0.12 F1.8976 O0.1024 Pb0.9 -","- Bi0.48 F7.5904 O0.4096 Pb3.6 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb1-x Bix Ox F2-x","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008693","9.571","0.003","14.006","0.004","11.678","0.003","90","","90","","90","","1565.5","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Lithium rhenium sulfide (4/6/11)","","- Li4 Re6 S11 -","- Li4 Re6 S11 -","- Li16 Re24 S44 -","4","0.5","","Bronger, W; Miessen, H J; Muller, P; Neugroschel, R","Darstellung und Kristallstruktur von Li4 Re6 S11","Journal of the Less-Common Metals","1985","105","","303","310","10.1016/0022-5088(85)90417-5","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008695","7.082","0.004","11.329","0.004","5.403","0.003","90","","113.2","0.1","90","","398.4","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Potassium iron sulfide","","- Fe K S2 -","- Fe K S2 -","- Fe4 K4 S8 -","4","0.5","","Bronger, W; Kyas, A; Muller, P","The antiferromagnetic structures of K Fe S2, Rb Fe S2, K Fe Se2, and Rb Fe Se2 and the correlation between magnetic moments and crystal field calculations","Journal of Solid State Chemistry","1987","70","","262","270","10.1016/0022-4596(87)90065-X","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008696","3.8468","0.0001","3.8747","0.0001","11.7466","0.0005","90","","90","","90","","175.1","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/6.5)","","- Ba2 Cu3 O6.5 Y -","- Ba2 Cu3 O6.5 Y -","- Ba2 Cu3 O6.5 Y -","1","0.125","","Miraglia, S; Beech, F; Santoro, A; Tran Qui, D; Sunshine, S A; Murphy, D W","Neutron powder diffraction study of orthorhombic Ba2 Y Cu3 O6.5","Materials Research Bulletin","1987","22","","1733","1740","10.1016/0025-5408(87)90018-3","","","","","","0.0565","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008697","14.3574","0.0006","5.3247","0.0003","5.02","0.0002","90","","90","","90","","383.8","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Zirconium titanium oxide (5/7/24)","","- O24 Ti7.24 Zr4.76 -","- O24 Ti7.24 Zr4.76 -","- O24 Ti7.24 Zr4.76 -","1","0.125","","Bordet, P; McHale, A; Santoro, A; Roth, R S","Powder neutron diffraction study of Zr Ti O4, Zr5 Ti7 O24 and Fe Nb2 O6","Journal of Solid State Chemistry","1986","64","","30","46","10.1016/0022-4596(86)90119-2","","","","","","0.0989","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008698","9.042","0.004","9.042","0.004","9.042","0.004","90","","90","","90","","739.3","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thorium zirconium deuteride (1/2/3.6)","","- D3.6 Th Zr2 -","- D3.604 Th Zr2 -","- D28.832 Th8 Zr16 -","8","0.0416667","","Bartscher, W; Rebizant, J; Boeuf, A; Caciuffo, R; Rustichelli, F; Fournier, J M; Kuhs, W F","Distribution of deuterium in the cubic laves phases Th Zr2 Dx","Journal of the Less-Common Metals","1986","121","","455","460","10.1016/0022-5088(86)90562-X","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008699","9.112","0.007","9.112","0.007","9.112","0.007","90","","90","","90","","756.6","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thorium zirconium deuteride (1/2/4.8)","","- D4.8 Th Zr2 -","- D4.792 Th Zr2 -","- D38.336 Th8 Zr16 -","8","0.0416667","","Bartscher, W; Rebizant, J; Boeuf, A; Caciuffo, R; Rustichelli, F; Fournier, J M; Kuhs, W F","Distribution of deuterium in the cubic laves phases Th Zr2 Dx","Journal of the Less-Common Metals","1986","121","","455","460","10.1016/0022-5088(86)90562-X","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008700","9.154","0.009","9.154","0.009","9.154","0.009","90","","90","","90","","767.1","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thorium zirconium deuteride (1/2/6.3)","","- D6.3 Th Zr2 -","- D6.296 Th Zr2 -","- D50.368 Th8 Zr16 -","8","0.0416667","","Bartscher, W; Rebizant, J; Boeuf, A; Caciuffo, R; Rustichelli, F; Fournier, J M; Kuhs, W F","Distribution of deuterium in the cubic laves phases Th Zr2 Dx","Journal of the Less-Common Metals","1986","121","","455","460","10.1016/0022-5088(86)90562-X","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008701","10.3516","0.0009","8.2069","0.0009","6.9674","0.0007","90","","90","0","90","","591.9","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Sodium lithium ytterbium fluoride (1/1/2/8)","","- F8 Li Na Yb2 -","- F8 Li Na Yb2 -","- F32 Li4 Na4 Yb8 -","4","0.5","","Dib, A; Gorius, F; Aleonard, S","Structure cristalline de Na Li Yb2 F8: Composes isotypes","Journal of Solid State Chemistry","1986","65","","205","214","10.1016/0022-4596(86)90055-1","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008702","10.2475","","10.2475","","10.2475","","90","","90","","90","","1076.1","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Neodymium copper ruthenium oxide (1.63/.37/2/6.63)","","- Cu0.375 Nd1.625 O6.625 Ru2 -","- Cu0.38 Nd1.62 O6.625 Ru2 -","- Cu3.04 Nd12.96 O53 Ru16 -","8","0.0416667","","Haouzi, A; Muller, J; Joubert, J C","Characterisations electrique et cristallographique des phases de type pyrochlore Nd2-y Cuy Ru2 O7-y","Materials Research Bulletin","1986","21","","1489","1493","10.1016/0025-5408(86)90089-9","","","","","","0.0254","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008703","5.859","0.002","5.859","0.002","23.19199","0.009","90","","90","","120","","689.5","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Barium gallium oxide (0.7/10.8/16.8) - β","","- Ba0.65 Ga10.8 O16.84 -","- Ba0.648 Ga10.798 O16.84 -","- Ba1.296 Ga21.596 O33.68 -","2","0.0833333","","Samaras, D.; Kotrotsios, G.; Collomb, A.; Guitel, J. C.; Stergiou, A. C.","Crystal structure of a barium hexagallate: Barium β-gallate","Solid State Ionics","1986","21","2","143","149","10.1016/0167-2738(86)90205-5","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","200092","2020-10-21","18:00:00",""
"1008704","8.396","0.002","8.363","0.002","8.207","0.002","65.57","0.02","60.13","0.02","70.33","0.02","448.7","","","","","","","","","","","","","4","P -1","-P 1","2","","Ammonium dihydrogen tris(iodate)","","- H6 I3 N O9 -","- H5 I3 N O9 -","- H10 I6 N2 O18 -","2","1","","Bordet, P; Boucherle, J-X; Santoro, A; Marezio, M","Crystal structure and proton conductivity of N H4 H2 (I O3)3 and K H2 (I O3)3","Solid State Ionics","1986","21","","243","254","10.1016/0167-2738(86)90079-2","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008705","8.396","0.002","8.363","0.002","8.207","0.002","65.57","0.02","60.13","0.02","70.33","0.02","448.7","","","","","","","","","","","","","4","P -1","-P 1","2","","Ammonium dihydrogen tris(iodate)","","- H6 I3 N O9 -","- H6 I3 N O9 -","- H12 I6 N2 O18 -","2","1","","Bordet, P; Boucherle, J-X; Santoro, A; Marezio, M","Crystal structure and proton conductivity of N H4 H2 (I O3)3 and K H2 (I O3)3","Solid State Ionics","1986","21","","243","254","10.1016/0167-2738(86)90079-2","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008706","3.857","0.0001","3.857","0.0001","11.8194","0.0003","90","","90","","90","","175.8","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Barium yttrium copper oxide (2/1/3/6.1)","","- Ba2 Cu3 O6.072 Y -","- Ba2 Cu3 O6.072 Y -","- Ba2 Cu3 O6.072 Y -","1","0.0625","","Santoro, A; Miraglia, S; Beech, F; Sunshine, S A; Murphy, D W; Schneemeyer, L F; Waszcak, J V","The structure and properties of Ba2 Y Cu3 O6","Materials Research Bulletin","1987","22","","1007","1013","10.1016/0025-5408(87)90100-0","","","","","","0.0389","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008707","12.7784","0.0009","12.7784","0.0009","12.7784","0.0009","90","","90","","90","","2086.6","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Hafnium iron deuteride (2/1/4.1)","","- D4.15 Fe Hf2 -","- D4.15 Fe Hf2 -","- D132.8 Fe32 Hf64 -","32","0.166667","","Soubeyroux, J L; Fruchart, D; Derdour, S; Vuillet, P; Rouault, A","Localization of hydrogen (deuterium) in Hf2 Fe Dx","Journal of the Less-Common Metals","1987","129","","187","195","10.1016/0022-5088(87)90047-6","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008708","12.7795","0.0008","12.7795","0.0008","12.7795","0.0008","90","","90","","90","","2087.1","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Hafnium iron deuteride (2/1/4.4)","","- D4.38 Fe Hf2 -","- D4.39 Fe Hf2 -","- D140.48 Fe32 Hf64 -","32","0.166667","","Soubeyroux, J L; Fruchart, D; Derdour, S; Vuillet, P; Rouault, A","Localization of hydrogen (deuterium) in Hf2 Fe Dx","Journal of the Less-Common Metals","1987","129","","187","195","10.1016/0022-5088(87)90047-6","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008710","15.904","0.007","15.904","0.007","16.67","0.02","90","","90","","120","","3651.6","","","","","","","","","","","","","5","P 63","P 6c","173","","Dodecaguanidinium cyclo-dodecaphosphate hexahydrate","","- C12 H84 N36 O42 P12 -","- C12 H84 N36 O42 P12 -","- C24 H168 N72 O84 P24 -","2","0.333333","","Schuelke, U; Averbuch-Pouchot, M T","Preparation and crystal structure of guanidinium cyclododecaphosphate hexahydrate: (C (N H2)3)12 P12 O36 . 6(H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1232","1236","10.1002/zaac.19956210721","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008712","9.988","0.007","17.29799","0.009","19.17","0.02","90","","99.33","0.06","90","","3268.2","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Barium iron titanium oxide (12/29.3/13.7/84)","","- Ba12 Fe29.28 O84 Ti13.72 -","- Ba12 Fe29.28 O84 Ti13.72 -","- Ba24 Fe58.56 O168 Ti27.44 -","2","0.25","","Grey, I E; Collomb, A; Obradors, X","The crystal structure of a new quaternary ferrite: Ba12 Fe28 Ti15 O84","Journal of Solid State Chemistry","1991","91","","131","139","10.1016/0022-4596(91)90066-Q","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008713","5.3835","0.0008","5.4091","0.0008","15.784","0.002","90","","90","","90","","459.6","","","","","","","","","","","","","6","P m a n","-P 2ab 2","53","","Lead strontium yttrium calcium copper oxide (2/1.97/0.7/0.3/2.97/7.7)","","- Ca0.27 Cu2.969 O7.73 Pb2 Sr1.968 Y0.73 -","- Ca0.27 Cu2.969 O7.73 Pb2 Sr1.968 Y0.73 -","- Ca0.54 Cu5.938 O15.46 Pb4 Sr3.936 Y1.46 -","2","0.25","","Chaillout, C; Chmaissen, O; Capponi, J J; Fournier, T; McIntyre, G J; Marezio, M","The structure of superconducting Pb2 Sr2 Y0.73 Ca0.27 Cu3 O8 by single- crystal neutron diffraction","Physica C (Amsterdam) (152,1988-)","1991","175","","293","300","10.1016/0921-4534(91)90600-4","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008714","5.371","0.001","5.371","0.001","8.782","0.003","90","","90","","120","","219.4","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Zirconium chromium copper nickel deuteride (1/1.6/0.2/0.2/3.8)","","- Cr1.6 Cu0.2 D3.78 Ni0.2 Zr -","- Cr1.6 Cu0.2 D3.78 Ni0.2 Zr -","- Cr6.4 Cu0.8 D15.12 Ni0.8 Zr4 -","4","0.166667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; de Rango, P","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M = (Cu0.5 Ni0.5) and 0<x<0.2 and their hydrides","Journal of Alloys Compd.","1995","231","","760","765","10.1016/0925-8388(95)01714-3","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008715","5.385","0.002","5.385","0.002","8.818","0.005","90","","90","","120","","221.4","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Zirconium chromium copper nickel deuteride (1/1.4/0.3/0.3/3.48)","","- Cr1.4 Cu0.3 D3.48 Ni0.3 Zr -","- Cr1.4 Cu0.3 D3.48 Ni0.3 Zr -","- Cr5.6 Cu1.2 D13.92 Ni1.2 Zr4 -","4","0.166667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; de Rango, P","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M = (Cu0.5 Ni0.5) and 0<x<0.2 and their hydrides","Journal of Alloys Compd.","1995","231","","760","765","10.1016/0925-8388(95)01714-3","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008716","5.343","0.002","5.343","0.002","8.744","0.003","90","","90","","120","","216.2","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Zirconium chromium copper nickel deuteride (1/1.2/0.4/0.4/3.51)","","- Cr1.2 Cu0.4 D3.51 Ni0.4 Zr -","- Cr1.2 Cu0.4 D3.51 Ni0.4 Zr -","- Cr4.8 Cu1.6 D14.04 Ni1.6 Zr4 -","4","0.166667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; de Rango, P","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M = (Cu0.5 Ni0.5) and 0<x<0.2 and their hydrides","Journal of Alloys Compd.","1995","231","","760","765","10.1016/0925-8388(95)01714-3","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008717","7.666","0.001","7.666","0.001","7.666","0.001","90","","90","","90","","450.5","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Zirconium chromium copper nickel deuteride (1/1.6/0.2/0.2/3.8)","","- Cr1.6 Cu0.2 D3.8 Ni0.2 Zr -","- Cr1.6 Cu0.2 D3.8004 Ni0.2 Zr -","- Cr12.8 Cu1.6 D30.4032 Ni1.6 Zr8 -","8","0.0416667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; de Rango, P","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M = (Cu0.5 Ni0.5) and 0<x<0.2 and their hydrides","Journal of Alloys Compd.","1995","231","","760","765","10.1016/0925-8388(95)01714-3","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008718","8.805","","8.805","","12.206","","90","","90","","90","","946.3","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Neodymium iron boride (2/14/1)","","- B Fe14 Nd2 -","- B Fe14 Nd2 -","- B4 Fe56 Nd8 -","4","0.25","","Isnard, O; Yelon, W B; Miraglia, S; Fruchart, D","Neutron-diffraction study of the insertion scheme of hydrogen in Nd2 Fe14 B","Journal of Applied Physics","1995","78","3","1892","1898","10.1063/1.360720","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008719","8.841","","8.841","","12.242","","90","","90","","90","","956.9","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Neodymium iron boride hydride (2/14/1/1.04)","","- B Fe14 H1.04 Nd2 -","- B Fe14 H1.04 Nd2 -","- B4 Fe56 H4.16 Nd8 -","4","0.25","","Isnard, O; Yelon, W B; Miraglia, S; Fruchart, D","Neutron-diffraction study of the insertion scheme of hydrogen in Nd2 Fe14 B","Journal of Applied Physics","1995","78","3","1892","1898","10.1063/1.360720","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008720","8.869","","8.869","","12.294","","90","","90","","90","","967","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Neodymium iron boride hydride (2/14/1/1.86)","","- B Fe14 H1.86 Nd2 -","- B Fe14 H1.86 Nd2 -","- B4 Fe56 H7.44 Nd8 -","4","0.25","","Isnard, O; Yelon, W B; Miraglia, S; Fruchart, D","Neutron-diffraction study of the insertion scheme of hydrogen in Nd2 Fe14 B","Journal of Applied Physics","1995","78","3","1892","1898","10.1063/1.360720","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008721","8.906","","8.906","","12.327","","90","","90","","90","","977.7","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Neodymium iron boride hydride (2/14/1/3.31)","","- B Fe14 H3.31 Nd2 -","- B Fe14 H3.31 Nd2 -","- B4 Fe56 H13.24 Nd8 -","4","0.25","","Isnard, O; Yelon, W B; Miraglia, S; Fruchart, D","Neutron-diffraction study of the insertion scheme of hydrogen in Nd2 Fe14 B","Journal of Applied Physics","1995","78","3","1892","1898","10.1063/1.360720","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008722","8.917","","8.917","","12.344","","90","","90","","90","","981.5","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Neodymium iron boride hydride (2/14/1/4.73)","","- B Fe14 H4.73 Nd2 -","- B Fe14 H4.73 Nd2 -","- B4 Fe56 H18.92 Nd8 -","4","0.25","","Isnard, O; Yelon, W B; Miraglia, S; Fruchart, D","Neutron-diffraction study of the insertion scheme of hydrogen in Nd2 Fe14 B","Journal of Applied Physics","1995","78","3","1892","1898","10.1063/1.360720","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008723","3.8732","0.00002","3.8732","0.00002","9.48088","0.00008","90","","90","","90","","142.2","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.12)","","- Ba2 Cu Hg O4.12 -","- Ba2 Cu Hg O4.12 -","- Ba2 Cu Hg O4.12 -","1","0.0625","","Marezio, M; Alexandre, E T; Bordet, P; Capponi, J - J; Chaillout, C; Kopnin, E M; Loureiro, S M; Radaelli, P G; Van Tendeloo, G","Cation and anion disorder in Hg Ba2 Can-1 Cun O2n+2+d","Journal of Superconductivity","1995","8","4","507","510","10.1007/BF00722842","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008725","5.092","","6.741","","4.527","","90","","90","","90","","155.4","","","","","","","","","","","","synthetic","2","P n m a","-P 2ac 2n","62","","Iron carbide","Cohenite","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Fruchart, D; Chaudouet, P; Fruchart, R; Rouault, A; Senateur, J P","Etudes structurales de composes de type cementite: effet de l'hydrogene sur Fe3 C suivi par diffraction neutronique Spectrometrie moessbauer sur Fe Co2 B et Co3 B dopes au ^57^Fe","Journal of Solid State Chemistry","1984","51","","246","252","10.1016/0022-4596(84)90340-2","","","","","","","","","","","","","","","","","","","","","has coordinates","293657","2024-08-03","08:33:58",""
"1008726","9.696","0.002","6.101","0.002","13.779","0.003","90","","91.83","0.02","90","","814.7","","","","","","","","","","","","synthetic","5","P 1 21/n 1","-P 2yn","14","","Disodium copper(II) carbonate trihydrate","Chalconatronite","- C2 H6 Cu Na2 O9 -","- C2 H10 Cu Na2 O9 -","- C8 H40 Cu4 Na8 O36 -","4","1","","Mosset, A; Bonnet, J J; Galy, J","Structure cristalline de la Chalconatronite synthetique. Na2 Cu (C O3)2 (H2 O)3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1978","148","","165","177","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1008727","8.46","0.01","8.46","0.01","21.87999","0.04","90","","90","","120","","1356.2","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Copper titanium phosphate(V) (0.5/2/3) - HT","","- Cu0.5 O12 P3 Ti2 -","- Cu0.501 O12 P3 Ti2 -","- Cu3.006 O72 P18 Ti12 -","6","0.333333","","Olazcuaga, R; Le Flem, G; Boireau, A; Soubeyroux, J L","The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3 and D0.5 Cu(I)0.5 Zr2 (P O4)3","Advanced Materials Research","1994","1","","177","188","","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008728","8.84","0.01","8.84","0.01","22.31","0.04","90","","90","","120","","1509.9","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Deuterium copper zirconium phosphate(V) (0.36/0.52/2/3)","","- Cu0.516 D0.36 O12 P3 Zr2 -","- Cu0.516 D0.36 O12 P3 Zr2 -","- Cu3.096 D2.16 O72 P18 Zr12 -","6","0.166667","","Olazcuaga, R; Le Flem, G; Boireau, A; Soubeyroux, J L","The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3 and D0.5 Cu(I)0.5 Zr2 (P O4)3","Advanced Materials Research","1994","1","","177","188","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008729","9.568","0.004","9.568","0.004","4.909","0.002","90","","90","","90","","449.4","","","","","","","","","","","","","4","P 4/n b m :2","-P 4a 2b","125","","Calcium disodium tetrakis(phosphate(V))","","- Ca Na2 O12 P4 -","- Ca Na2 O12 P4 -","- Ca2 Na4 O24 P8 -","2","0.125","","Averbuch-Pouchot, M T","Ca Na2 P4 O12, a new compound in the Ca (P O3)2 - Na P O3 system","European Journal of Solid State Inorganic Chemistry","1996","33","","15","18","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008730","5.686","0.001","9.676","0.004","8.844","0.003","90","","92.35","0.02","90","","486.2","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Calcium dihydrogen tetrakis(phosphate(V))","","- Ca H2 O12 P4 -","- Ca H2 O12 P4 -","- Ca2 H4 O24 P8 -","2","0.5","","Averbuch-Pouchot, M T","Preparation and crystal structure of an acidic long-chain polyphosphate: Ca H2 (P O3)4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","506","509","10.1002/zaac.19956210330","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008731","4.006","0.002","4.006","0.002","27.58099","0.005","90","","90","","120","","383.3","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sodium diarsenidodistannate","","- As2 Na Sn2 -","- As2 Na Sn2 -","- As6 Na3 Sn6 -","3","0.0833333","","Asbrand, M; Eisenmann, B; Klein, J","Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","576","582","10.1002/zaac.19956210415","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008732","4.101","0.002","4.101","0.002","26.48599","0.005","90","","90","","120","","385.8","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Sodium calcium diarsenidodistannate (0.3/0.7/1)","","- As2 Ca0.7 Na0.3 Sn2 -","- As2 Ca0.7 Na0.3 Sn2 -","- As6 Ca2.1 Na0.9 Sn6 -","3","0.0833333","","Asbrand, M; Eisenmann, B; Klein, J","Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","576","582","10.1002/zaac.19956210415","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008733","4.117","0.002","4.117","0.002","27.185","0.006","90","","90","","120","","399","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Sodium strontium diarsenidodistannate (0.4/0.6/1)","","- As2 Na0.4 Sn2 Sr0.6 -","- As2 Na0.4 Sn2 Sr0.6 -","- As6 Na1.2 Sn6 Sr1.8 -","3","0.0833333","","Asbrand, M; Eisenmann, B; Klein, J","Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","576","582","10.1002/zaac.19956210415","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008734","4.176","0.002","4.176","0.002","27.146","0.005","90","","90","","120","","410","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Potassium strontium diarsenidodistannate (0.3/0.7/1)","","- As2 K0.3 Sn2 Sr0.7 -","- As2 K0.3 Sn2 Sr0.7 -","- As6 K0.9 Sn6 Sr2.1 -","3","0.0833333","","Asbrand, M; Eisenmann, B; Klein, J","Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","576","582","10.1002/zaac.19956210415","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008735","4.204","0.001","4.204","0.001","26.726","0.005","90","","90","","120","","409.1","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Strontium diarsenidodistannate","","- As2 Sn2 Sr -","- As2 Sn2 Sr -","- As6 Sn6 Sr3 -","3","0.0833333","","Asbrand, M; Eisenmann, B; Klein, J","Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","576","582","10.1002/zaac.19956210415","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008736","7.2956","0.0007","7.5605","0.0007","7.2512","0.0007","90","","117.368","0.002","90","","355.2","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Iron iron(III) phosphate(V) - β","","- Fe2 O5 P -","- Fe2 O5 P -","- Fe8 O20 P4 -","4","0.5","","Elkaïm, E.; Berar, J. F.; Gleitzer, C.; Malaman, B.; Ijjaali, M.; Lecomte, C.","Occurrence of a monoclinic distortion in β-Fe~2~PO~5~","Acta Crystallographica, Section B: Structural Science","1996","52","3","428","431","10.1107/s0108768195014273","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","200140","2020-10-21","18:00:00",""
"1008737","3.4347","0.0001","3.4347","0.0001","12.9735","0.0003","90","","90","","120","","132.5","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Deuterium niobium selenide (0.41/1/2)","","- D0.41 Nb Se2 -","- D0.0342 Nb Se2 -","- D0.0684 Nb2 Se4 -","2","0.0833333","","Kulikov, L M; Semjonov-Kobzar, A A; Antonova, M M; Chechovsky, A A; Akselrud, L G; Skolozdra, R V; Fruchart, D; Soubeyroux, J L","X-ray and neutron diffraction studies of the formation and structure of hydrogen intercalated 2H - Nb Se2 phases","Journal of Alloys Compd.","1996","244","","11","15","10.1016/S0925-8388(96)02427-9","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008738","3.4329","0.0006","3.4329","0.0006","12.965","0.003","90","","90","","120","","132.3","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Deuterium niobium selenide (0.62/1/2)","","- D0.62 Nb Se2 -","- D0.62 Nb Se2 -","- D1.24 Nb2 Se4 -","2","0.0833333","","Kulikov, L M; Semjonov-Kobzar, A A; Antonova, M M; Chechovsky, A A; Akselrud, L G; Skolozdra, R V; Fruchart, D; Soubeyroux, J L","X-ray and neutron diffraction studies of the formation and structure of hydrogen intercalated 2H - Nb Se2 phases","Journal of Alloys Compd.","1996","244","","11","15","10.1016/S0925-8388(96)02427-9","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008739","3.4362","0.0001","3.4362","0.0001","12.9635","0.0004","90","","90","","120","","132.6","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Deuterium niobium selenide (0.49/1/2)","","- D0.49 Nb Se2 -","- D0.0408 Nb Se2 -","- D0.0816 Nb2 Se4 -","2","0.0833333","","Kulikov, L M; Semjonov-Kobzar, A A; Antonova, M M; Chechovsky, A A; Akselrud, L G; Skolozdra, R V; Fruchart, D; Soubeyroux, J L","X-ray and neutron diffraction studies of the formation and structure of hydrogen intercalated 2H - Nb Se2 phases","Journal of Alloys Compd.","1996","244","","11","15","10.1016/S0925-8388(96)02427-9","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008740","3.4369","0.0005","3.4369","0.0005","12.958","0.003","90","","90","","120","","132.6","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Deuterium niobium selenide (0.51/1/2)","","- D0.51 Nb Se2 -","- D0.51 Nb Se2 -","- D1.02 Nb2 Se4 -","2","0.0833333","","Kulikov, L M; Semjonov-Kobzar, A A; Antonova, M M; Chechovsky, A A; Akselrud, L G; Skolozdra, R V; Fruchart, D; Soubeyroux, J L","X-ray and neutron diffraction studies of the formation and structure of hydrogen intercalated 2H - Nb Se2 phases","Journal of Alloys Compd.","1996","244","","11","15","10.1016/S0925-8388(96)02427-9","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008741","3.4461","0.0001","3.4461","0.0001","12.581","0.0004","90","","90","","120","","129.4","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Hydrogen niobium selenide (0.07/1/2)","","- H0.07 Nb Se2 -","- H0.0058 Nb Se2 -","- H0.0116 Nb2 Se4 -","2","0.0833333","","Kulikov, L. M.; Semjonov-Kobzar, A. A.; Antonova, M. M.; Chechovsky, A. A.; Akselrud, L. G.; Skolozdra, R. V.; Fruchart, D.; Soubeyroux, J. L.","X-ray and neutron diffraction studies of the formation and structure of hydrogen intercalated 2H - Nb Se2 phases","Journal of Alloys and Compounds","1996","244","1-2","11","15","10.1016/S0925-8388(96)02427-9","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1008742","3.4471","0.0005","3.4471","0.0005","12.586","0.002","90","","90","","120","","129.5","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Hydrogen niobium selenide (0.07/1/2)","","- H0.07 Nb Se2 -","- H0.07 Nb Se2 -","- H0.14 Nb2 Se4 -","2","0.0833333","","Kulikov, L M; Semjonov-Kobzar, A A; Antonova, M M; Chechovsky, A A; Akselrud, L G; Skolozdra, R V; Fruchart, D; Soubeyroux, J L","X-ray and neutron diffraction studies of the formation and structure of hydrogen intercalated 2H - Nb Se2 phases","Journal of Alloys Compd.","1996","244","","11","15","10.1016/S0925-8388(96)02427-9","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008743","10.855","0.002","8.715","0.002","10.998","0.002","90.6","0.03","96.49","0.03","90.17","0.03","1033.7","","","","","","","","","","","","","3","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","Pentacalcium trigermanate","","- Ca5 Ge3 O11 -","- Ca5 Ge3 O11 -","- Ca20 Ge12 O44 -","4","","","Barbier, J; Levy, D","Crystal structures of Ca5 Ge3 O11 and wollastonite-type Ga Ge O3","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","519","528","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008744","7.2686","0.0015","7.5262","0.0015","8.094","0.002","103.44","0.03","94.42","0.03","90.11","0.03","429.3","","","","","","","","","","","","","3","P -1","-P 1","2","","Calcium germanate","","- Ca Ge O3 -","- Ca Ge O3 -","- Ca6 Ge6 O18 -","6","3","","Barbier, J; Levy, D","Crystal structures of Ca5 Ge3 O11 and wollastonite-type Ga Ge O3","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","519","528","","","","","","","0.0686","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008745","14.418","0","5.76","0","5.099","0","90","","90","","90","","423.5","","","","","","","","","","","","natural","4","P b c n","-P 2n 2ab","60","","Manganese niobium tantalum oxide *","Manganotantalite","- Mn Nb O6 Ta -","- Mn Nb O6 Ta -","- Mn4 Nb4 O24 Ta4 -","4","0.5","","Klein, S; Weitzel, H","Magnetische Struktur von Mn (Nb0.5 Ta0.5)2 O6, Manganotantalit","Acta Crystallographica A (24,1968-38,1982)","1976","32","","587","591","10.1107/S0567739476001253","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008746","11.94","0.01","11.94","0.01","11.94","0.01","90","","90","","90","","1702.2","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Aluminium calcium silicate hydroxide (2/3/2.2/3.4)","Hibschite","- Al2 Ca3 H3.36 O12 Si2.16 -","- Al2 Ca3 H3.36 O12 Si2.16 -","- Al16 Ca24 H26.88 O96 Si17.28 -","8","0.0833333","","Cohen-Addad, C; Ducros, P; Bertaut, E F","Etude de la substitution du groupement Si O4 par (O H)4 dans les composes Al2 Ca3 (O H)12 et Al2 Ca3 (Si O4)2.16 (O H)3.36 de type grenat","Acta Crystallographica (1,1948-23,1967)","1967","23","","220","230","10.1107/S0365110X67002518","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008747","15.25","0.03","19.59999","0.05","4.72","0.05","90","","91.8","0.8","90","","1410.1","","","","","","","","","","","","synthetic from solution","4","P 1 21/n 1","-P 2yn","14","","Iron(III) tris(dihydrogenarsenate) pentahydrate","Kaatialaite","- As3 Fe H16 O17 -","- As3 Fe H16 O17 -","- As12 Fe4 H64 O68 -","4","1","","Boudjada, A; Guitel, J C","Ytructure cristalline d'un orthoarseniate acide de fer(III) pentahydrate: Fe (H2 As O4)3 (H2 O)5","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1402","1405","10.1107/S0567740881006043","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008748","4.513","","4.513","","7.355","","90","","90","","120","","129.7","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Dideuterium oxide","Ice Ih deuterated","- D2 O -","- D2 H2 O -","- D8 H8 O4 -","4","0.166667","","Peterson, S W; Levy, H A","A Single-Crystal Neutron Diffraction Study of Heavy Ice","Acta Crystallographica (1,1948-23,1967)","1957","10","","70","76","10.1107/S0365110X5700016X","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1008749","4.489","","4.489","","7.327","","90","","90","","120","","127.9","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Dideuterium oxide","Ice Ih deuterated","- D2 O -","- D2 O -","- D8 O4 -","4","0.166667","","Peterson, S W; Levy, H A","A Single-Crystal Neutron Diffraction Study of Heavy Ice","Acta Crystallographica (1,1948-23,1967)","1957","10","","70","76","10.1107/S0365110X5700016X","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1008750","4.401","0.001","9.421","0.004","2.845","0.001","90","","90","","90","","118","","","","","","","","","","","","from Redondo, Uruguay, and from Chester, Pennsylvania","3","P b n m","-P 2c 2ab","62","","Aluminium oxide hydroxide","Diaspore","- Al H O2 -","- Al H2 O2 -","- Al4 H8 O8 -","4","0.5","","Busing, W R; Levy, H A","A Single Crystal Neutron Diffraction Study of Diaspore, Al O","Acta Crystallographica (1,1948-23,1967)","1958","11","","798","803","10.1107/S0365110X58002243","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008751","7.16","0.01","7.16","0.01","7.36","0.01","90","","90","","120","","326.8","","","","","","","","","","","","","2","P 63 c m","P 6c -2","185","","Lanthanum fluoride","Fluocerite (La)","- F3 La -","- F3 La -","- F18 La6 -","6","0.5","","de Rango, C; Tsoucaris, G; Zelwer, C","Determination de la structure du fluorure de lanthane La F3","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1966","263","","64","66","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008752","5.7732","0.0006","5.7732","0.0006","10.0542","0.0011","90","","90","","120","","290.2","","","","","","","","","","","","synthetic","3","P 63 m c","P 6c -2c","186","","Diiron trimolybdenum(IV) oxide","Kamiokite","- Fe2 Mo3 O8 -","- Fe2 Mo3 O8 -","- Fe4 Mo6 O16 -","2","0.166667","","le Page, Y; Strobel, P","Structure of Iron(II) Molybdenum(IV) Oxide Fe2 Mo3 O8","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1265","1267","10.1107/S0567740882005445","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008753","10.01","","10.01","","8.405","","90","","90","","120","","729.4","","","","","","","","","","","","","5","P 63","P 6c","173","","Potassium trisodium tetraaluminium silicate","Nepheline","- Al4 K Na3 O16 Si4 -","- Al4 K Na3 O16 Si4 -","- Al8 K2 Na6 O32 Si8 -","2","0.333333","","Buerger, M J; Klein, G E; Donnay, G","Determination of the crystal structure of nepheline","American Mineralogist","1954","39","","805","818","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008754","10.05","","10.05","","8.38","","90","","90","","120","","733","","","","","","","","","","","","","5","P 63","P 6c","173","","Potassium trisodium tetraalumotetrasilicate","Nepheline","- Al4 K Na3 O16 Si4 -","- Al4 K Na3 O16 Si4 -","- Al8 K2 Na6 O32 Si8 -","2","0.333333","","Buerger, M J; Klein, G E; Hamburger, G","The structure of nepheline","American Mineralogist","1947","32","","197","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008755","7.11","0.01","7.83","0.01","5.58","0.01","89.88","0.12","101.23","0.12","106.1","0.12","292.3","","","","","","","","","","","","","3","P -1","-P 1","2","","Dialuminium silicate oxide","Kyanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","2","","de Rango, C; Tsoucaris, G; Zelwer, C; Devaux, J","Comparaison de deux affinements de la structure de la cyanite","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1966","89","","419","424","","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008756","4.858","","4.292","","2.955","","90","","90","","90","","61.6","","","","","","","","","","","","","3","P 21 n m","P -2 2ac","31","","Chromium oxide hydroxide - β","Guyanaite","- Cr H O2 -","- Cr H O2 -","- Cr2 H2 O4 -","2","0.5","","Pernet, M.; Berthet-Colominas, C.; Alario-Franco, M. A.; Christensen, A. N.","Etude par diffraction neutronique de l'oxyhydroxyde de chrome β-CrOOH","Physica Status Solidi A: Applications and Materials Science","1977","43","1","81","88","10.1002/pssa.2210430107","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","200093","2020-10-21","18:00:00",""
"1008757","8.176","0.003","12.841","0.003","14.207","0.003","93.53","0.03","116.27","0.05","89.77","0.05","1334.5","","","","","","","","","","","","from Labrador, Canada","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","Sodium calcium alumosilicate *","Anorhtite sodian","- Al1.52 Ca0.52 Na0.48 O8 Si2.48 -","- Al1.5 Ca0.52 Na0.48 O8 Si2.5 -","- Al12 Ca4.16 Na3.84 O64 Si20 -","8","","","Klein, S; Korekawa, M","Die gemittelte Struktur des Labradorits","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1976","1976","","66","69","","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008758","11.512","0.003","10.37","0.003","12.847","0.002","90","","107.789","0.01","90","","1460.3","","","","","","","","","","","","synthetic from solution","4","P 1 21/c 1","-P 2ybc","14","","Sodium sulfate decahydrate","Mirabilite","- H20 Na2 O14 S -","- H20 Na2 O14 S -","- H80 Na8 O56 S4 -","4","1","","Levy, H. A.; Lisensky, G. C.","Crystal structures of sodium sulfate decahydrate (Glauber's salt) and sodium tetraborate decahydrate (borax). Redetermination by neutron diffraction Locality: synthetic Note: anisoU's from ICSD","Acta Crystallographica, Section B","1978","34","","3502","3510","10.1107/S0567740878011504","","","","","","0.087","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008759","7.11","0.01","7.83","0.01","5.58","0.01","89.9","0.1","101.2","0.1","106.1","0.1","292.3","","","","","","","","","","","","","3","P -1","-P 1","2","","Dialuminium silicate oxide","Kyanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","2","","de Rango, C; Tsoucaris, G; Zelwer, C; Devaux, J","Comparaison de deux affinements de la structure de la cyanite","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1966","89","","419","424","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008760","7.395","","8.056","","3.728","","90","","90","","90","","222.1","","","","","","","","","","","","","4","P b m n","-P 2ab 2ab","53","","Copper chloride dihydrate","Eriochalcite","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Peterson, S W; Levy, H A","Proton positions in Cu Cl2 (H2 O)2 by neutron diffraction","Journal of Chemical Physics","1957","26","","220","221","10.1063/1.1743258","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008761","10.05","","10.05","","8.38","","90","","90","","120","","733","","","","","","","","","","","","","4","P 63","P 6c","173","","Sodium aluminium silicate","Nepheline","- Al Na O4 Si -","- Al Na O4 Si -","- Al8 Na8 O32 Si8 -","8","1.33333","","Buerger, M J; Klein, G E; Hamburger, G","Structure of Nepheline","Geological Society of America, Bulletin","1946","57","","1182","1183","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008762","2.95","","2.95","","4.56","","90","","90","","120","","34.4","","","","","","","","","","","","synthetic at 313-323 K","3","P -3 m 1","-P 3 2""","164","","Iron(III) oxide hydroxide - δ","Feroxyhyte","- Fe H O2 -","- Fe H O2 -","- Fe H O2 -","1","0.0833333","","Patrat, G.; de Bergevin, F.; Pernet, M.; Joubert, J. C.","Structure locale de δ-FeOOH","Acta Crystallographica, Section B: Structural Science","1983","39","2","165","170","10.1107/s0108768183002232","","","","","","","","","","","","","","","","","","","","","has coordinates","200140","2020-10-21","18:00:00",""
"1008764","5.906","0.0007","5.906","0.0007","32.91499","0.007","90","","90","","120","","994.3","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium magnesium iron oxide (1/2/16/27)","","- Ba Fe16 Mg2 O27 -","- Ba Fe16.019 Mg1.981 O27 -","- Ba2 Fe32.038 Mg3.962 O54 -","2","0.0833333","","Collomb, A; Abdelkader, O; Wolfers, P; Guitel, J C; Samaras, D","Crystal structure and magnesium location in the W-type hexagonal ferrite: (Ba) Mg2 - W.","Journal of Magnetism and Magnetic Materials","1986","58","","247","253","10.1016/0304-8853(86)90444-0","","","","","","0.0215","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008765","8.6548","0.0002","8.6548","0.0002","21.82179","0.0006","90","","90","","120","","1415.6","","","","","","","","","","","","synthetic","4","R -3 c :H","-R 3 2""c","167","","Sodium chromium phosphorus oxide (3/2/3/12) - HT","Nasicon chromous high","- Cr2 Na3 O12 P3 -","- Cr2 Na2.956 O12 P3 -","- Cr12 Na17.736 O72 P18 -","6","0.166667","","Lucazeau, G; Barj, M; Soubeyroux, J L; Dianoux, A J; Delmas, C","Neutron scattering annd diffraction study of Na3 Cr2 P3 O12, Na Zr2 P3 O12 and Na3 Zr Mg P3 O12","Solid State Ionics","1986","1819","","959","963","","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008766","4.6188","0.0002","9.9528","0.0004","3.0236","0.0001","90","","90","","90","","139","","","","","","","","","","","","synthetic","3","P b n m","-P 2c 2ab","62","","Iron(III) oxide hydroxide","Goethite","- Fe H O2 -","- Fe H1.5 O2 -","- Fe4 H6 O8 -","4","0.5","","Hazemann, J.-L.; Bérar, J. F.; Manceau, A.","Rietveld studies of the aluminium-iron substitution in synthetic goethite","Materials Science Forum","1991","","","821","826","10.4028/www.scientific.net/MSF.79-82.821","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","182036","2020-10-21","18:00:00",""
"1008767","4.6158","0.0002","9.9545","0.0004","3.0233","0.0001","90","","90","","90","","138.9","","","","","","","","","","","","synthetic","3","P b n m","-P 2c 2ab","62","","Iron(III) oxide hydroxide","Goethite","- Fe H O2 -","- Fe H1.5 O2 -","- Fe4 H6 O8 -","4","0.5","","Hazemann, J.-L.; Bérar, J. F.; Manceau, A.","Rietveld studies of the aluminium-iron substitution in synthetic goethite","Materials Science Forum","1991","","","821","826","10.4028/www.scientific.net/MSF.79-82.821","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","182036","2020-10-21","18:00:00",""
"1008768","4.6048","0.0001","9.9595","","3.023","","90","","90","","90","","138.6","","","","","","","","","","","","synthetic","3","P b n m","-P 2c 2ab","62","","Iron(III) oxide hydroxide","Goethite","- Fe H O2 -","- Fe H1.5 O2 -","- Fe4 H6 O8 -","4","0.5","","Hazemann, J.-L.; Bérar, J. F.; Manceau, A.","Rietveld studies of the aluminium-iron substitution in synthetic goethite","Materials Science Forum","1991","","","821","826","10.4028/www.scientific.net/MSF.79-82.821","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","182036","2020-10-21","18:00:00",""
"1008769","4.4031","0.0002","9.4252","0.0005","2.8452","0.0001","90","","90","","90","","118.1","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Aluminium oxide hydroxide","Diaspore","- Al H O2 -","- Al H1.5 O2 -","- Al4 H6 O8 -","4","0.5","","Hazemann, J.-L.; Bérar, J. F.; Manceau, A.","Rietveld studies of the aluminium-iron substitution in synthetic goethite","Materials Science Forum","1991","","","821","826","10.4028/www.scientific.net/MSF.79-82.821","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","182036","2020-10-21","18:00:00",""
"1008770","4.092","0.002","4.092","0.002","27.93399","0.006","90","","90","","120","","405.1","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Sodium barium diarsenidodistannate (0.6/0.4/1)","","- As2 Ba0.4 Na0.6 Sn2 -","- As2 Ba0.4 Na0.6 Sn2 -","- As6 Ba1.2 Na1.8 Sn6 -","3","0.0833333","","Asbrand, M; Eisenmann, B; Klein, J","Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","576","582","10.1002/zaac.19956210415","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008771","3.8464","0.0002","3.8464","0.0002","15.739","0.001","90","","90","","90","","232.9","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Mercury gold barium calcium copper oxide (0.69/0.17/2/2/3/8.30)","","- Au0.17 Ba2 Ca2 Cu3 Hg0.69 O8.3 -","- Au0.17 Ba2 Ca2 Cu3 Hg0.69 O8.3 -","- Au0.17 Ba2 Ca2 Cu3 Hg0.69 O8.3 -","1","0.0625","","Bordet, P; Le Floch, S; Capponi, J J; Chaillout, C; Gorius, M F; Marezio, M; Tholence, J L; Radaelli, P G","Gold substitution in mercury cuprate superconductors","Physica C (Amsterdam) (152,1988-)","1996","262","","151","158","10.1016/0921-4534(96)00224-9","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008775","5.576","","5.576","","4.692","","90","","90","","90","","145.9","","","","100","","","","","","","","synthetic from solution","4","P -4 21 m","P -4 2ab","113","","Urea","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C","Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","237","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008776","5.661","","5.661","","4.712","","90","","90","","90","","151","","","","","","","","","","","","synthetic by evaporation at 316 K","4","P -4 21 m","P -4 2ab","113","","Urea","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Worsham, J E jr.; Levy, H A; Peterson, S W","The positions of hydrogen atoms in urea by neutron diffraction","Acta Crystallographica (1,1948-23,1967)","1957","10","","319","323","10.1107/S0365110X57000924","","","","","","","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008777","5.64","","14.68","","5.39","","90","","90","","90","","446.3","","","","","","","","","","","","synthetic","3","P c m n","-P 2n 2ac","62","","Iron(III) oxide bis(calcium oxide)","Srebrodolskite","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Bertaut, F; Blum, P; Sagnieres, A","La structure du ferrite dicalcique et de la Brownmillerite.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1957","244","","2944","2946","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008778","5.64","","14.68","","5.39","","90","","90","","90","","446.3","","","","","","","","","","","","synthetic","3","P c m n","-P 2n 2ac","62","","Diiron(III) dicalcium oxide","Srebrodolskite","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Bertaut, F; Blum, P; Sagnieres, A","La structure du ferrite dicalcique et de la brownmillerite, aussi bien que 'Errata'.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1958","246","","658","658","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008779","6.78","","6.78","","6.12","","90","","90","","90","","281.3","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Scandium vanadate","","- O4 Sc V -","- O4 Sc V -","- O16 Sc4 V4 -","4","0.125","","Milligan, W O; Vernon, L W; Levy, H A; Peterson, S W","Neutron diffraction studies on scandium orthovanadate and scandium oxide","Journal of Physical Chemistry","1953","57","","535","537","10.1021/j150506a012","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008781","3.5918","0.0003","3.5918","0.0003","4.9063","0.0007","90","","90","","120","","54.8","","","","","","","","","","","","synthetic by slow precipitation","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Busing, W R; Levy, H A","Neutron diffraction study of calcium hydroxide","Journal of Chemical Physics","1957","26","","563","568","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008782","3.27","0.001","3.27","0.001","5.956","0.003","90","","90","","120","","55.2","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Phosphorus vanadium sulfide (.2/1/2)","","- P0.2 S2 V -","- P0.2 S2 V -","- P0.2 S2 V -","1","0.0833333","","Brec, R; Ouvrard, G; Freour, R; Rouxel, J; Soubeyroux, J L","Neutron and x-ray diffraction study of layered P0.2 V S2","Materials Research Bulletin","1983","18","","689","696","10.1016/0025-5408(83)90095-8","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008783","3.268","0.001","3.268","0.001","5.939","0.001","90","","90","","120","","54.9","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Phosphorus vanadium sulfide (.2/1/2)","","- P0.17 S2 V -","- P0.17 S2 V -","- P0.17 S2 V -","1","0.0833333","","Brec, R; Ouvrard, G; Freour, R; Rouxel, J; Soubeyroux, J L","Neutron and x-ray diffraction study of layered P0.2 V S2","Materials Research Bulletin","1983","18","","689","696","10.1016/0025-5408(83)90095-8","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008784","3.268","0.001","3.268","0.001","5.936","0.001","90","","90","","120","","54.9","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Phosphorus vanadium sulfide (.2/1/2)","","- P0.17 S2 V -","- P0.17 S2 V -","- P0.17 S2 V -","1","0.0833333","","Brec, R; Ouvrard, G; Freour, R; Rouxel, J; Soubeyroux, J L","Neutron and x-ray diffraction study of layered P0.2 V S2","Materials Research Bulletin","1983","18","","689","696","10.1016/0025-5408(83)90095-8","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008785","5.645","0.003","5.645","0.003","4.704","0.003","90","","90","","90","","149.9","","","","293","","","","","","","","synthetic from solution","4","P -4 21 m","P -4 2ab","113","Urea","Urea","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C","Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","237","254","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008786","5.578","0.005","5.578","0.005","4.695","0.005","90","","90","","90","","146.1","","","","123","","","","","","","","synthetic from solution","4","P -4 21 m","P -4 2ab","113","Urea","Urea","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C","Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","237","254","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008787","5.572","0.008","5.572","0.008","4.686","0.008","90","","90","","90","","145.5","","","","60","","","","","","","","synthetic from solution","4","P -4 21 m","P -4 2ab","113","Urea","Urea","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C","Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","237","254","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008788","7.436","","7.436","","7.436","","90","","90","","90","","411.2","","","","","","","","","","","","synthetic","5","I m -3","-I 2 2 3","204","","Neodymium tricopper trititanium iron(III) oxide","Perovskite group","- Cu3 Fe Nd O12 Ti3 -","- Cu3 Fe Nd O12 Ti3 -","- Cu6 Fe2 Nd2 O24 Ti6 -","2","0.0416667","","Meyer, G; Gros, Y; Bochu, B; Collomb, A; Chenavas, J; Joubert, J C; Marezio, M","Synthesis, crystal structure, and Moessbauer study of a series of perovskite-like compounds (A Cu3) (M, Fe)4 O12","Physica Status Solidi, Sectio A: Applied Research","1978","48","","581","586","10.1002/pssa.2210480239","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008789","5.984","0.002","5.984","0.002","14.559","0.008","90","","90","","120","","451.5","","","","","","","","","","","","synthetic","4","P 63/m m c","-P 6c 2c","194","","Rubidium caesium cobalt fluoride (0.5/0.5/1/3) - LT","Perovskite group","- Co Cs0.5 F3 Rb0.5 -","- Co Cs0.5 F3 Rb0.5 -","- Co6 Cs3 F18 Rb3 -","6","0.25","","Dance, J M; Soubeyroux, J L; Kerkouri, N; Tressaud, A","Chimie de solide - structure magnetique de la phase Rb0.5 Cs0.5 Co F3 de type perovskite hexagonale 6H","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1981","293","","279","293","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008790","4.8042","0.0002","5.4825","0.0003","5.0313","0.0002","90","","90","","90","","132.5","","","","","","","","","","quenched from above 1423K","","synthetic from oxides, quenched from above 1423K","3","P b c n","-P 2n 2ab","60","","Zirconium titanium oxide (0.5/0.5/2) - HT","Srilankite","- O2 Ti0.5 Zr0.5 -","- O2 Ti0.5 Zr0.5 -","- O8 Ti2 Zr2 -","4","0.5","","Bordet, P; McHale, A; Santoro, A; Roth, R S","Powder neutron diffraction study of Zr Ti O4, Zr5 Ti7 O24 and Fe Nb2 O6","Journal of Solid State Chemistry","1986","64","","30","46","10.1016/0022-4596(86)90119-2","","","","","","0.0779","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008791","8.421","0.0007","8.421","0.0007","8.421","0.0007","90","","90","","90","","597.2","","","","","","","","","","","","synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","Spinel (Li, Ti)","Lithium titanium oxide (1.03/2/4)","","- Li1.03 O4 Ti2 -","- Li1.03 O4 Ti2 -","- Li8.24 O32 Ti16 -","8","0.0416667","","Moshopoulou, E; Bordet, P; Sulpice, A; Capponi, J J","Evolution of structure and superconductivity of Li(1-x) Ti2 O4 single crystals without Ti cation disorder","Physica C (Amsterdam) (152,1988-)","1994","235","","747","748","","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008792","8.416","0.0006","8.416","0.0006","8.416","0.0006","90","","90","","90","","596.1","","","","","","","","","","","","synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","Spinel (Li, Ti)","Lithium titanium oxide (0.89/2/4)","","- Li0.89 O4 Ti2 -","- Li0.89 O4 Ti2 -","- Li7.12 O32 Ti16 -","8","0.0416667","","Moshopoulou, E; Bordet, P; Sulpice, A; Capponi, J J","Evolution of structure and superconductivity of Li(1-x) Ti2 O4 single crystals without Ti cation disorder","Physica C (Amsterdam) (152,1988-)","1994","235","","747","748","","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008793","8.403","0.0006","8.403","0.0006","8.403","0.0006","90","","90","","90","","593.3","","","","","","","","","","","","synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","Spinel (Li, Ti)","Lithium titanium oxide (0.75/2/4)","","- Li0.75 O4 Ti2 -","- Li0.75 O4 Ti2 -","- Li6 O32 Ti16 -","8","0.0416667","","Moshopoulou, E; Bordet, P; Sulpice, A; Capponi, J J","Evolution of structure and superconductivity of Li(1-x) Ti2 O4 single crystals without Ti cation disorder","Physica C (Amsterdam) (152,1988-)","1994","235","","747","748","","","","","","","0.011","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008794","5.466","0.001","5.466","0.001","13.982","0.002","90","","90","","120","","361.8","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cobalt hexafluorozirconate - LT","","- Co F6 Zr -","- Co F6 Zr -","- Co3 F18 Zr3 -","3","0.166667","","Rodriguez, V; Couzi, M; Tressaud, A; Grannec, J; Chaminade, J P; Soubeyroux, J L","Structural phase transition in the ordered fluorides M(II) Zr F6 (M(II) = Co, Zn) : I.Structural study","Journal of Physics: Condensed Matter","1990","2","","7373","7386","10.1088/0953-8984/2/36/001","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008795","7.989","0.001","7.989","0.001","7.989","0.001","90","","90","","90","","509.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cobalt hexafluorozirconate - HT","","- Co F6 Zr -","- Co F6 Zr -","- Co4 F24 Zr4 -","4","0.0208333","","Rodriguez, V; Couzi, M; Tressaud, A; Grannec, J; Chaminade, J P; Soubeyroux, J L","Structural phase transition in the ordered fluorides M(II) Zr F6 (M(II) = Co, Zn) : I.Structural study","Journal of Physics: Condensed Matter","1990","2","","7373","7386","10.1088/0953-8984/2/36/001","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008796","11.4","0.0005","11.4","0.0005","11.4","0.0005","90","","90","","90","","1481.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Nickel manganese arsenide (16/6/7)","","- As7 Mn6 Ni16 -","- As7 Mn6 Ni16 -","- As28 Mn24 Ni64 -","4","0.0208333","","Lambert-Andron, B; Chaudouet, P; Madar, R; Fruchart, R","Determination de la structure cristallographique de la phase de type G Ni16 Mn6 As7","Physica Status Solidi, Sectio A: Applied Research","1984","82","","K133","K136","10.1002/pssa.2210820237","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008797","11.882","0.002","11.882","0.002","3.599","0.001","90","","90","","120","","440","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Iron rhodium phosphide (0.98/1.02/1)","","- Fe0.977 P Rh1.023 -","- Fe0.9775 P Rh1.0225 -","- Fe11.73 P12 Rh12.27 -","12","1","","Artigas, M; Fruchart, R; Bacmann, M; Fruchart, D; Wolfers, P","Synthesis and stuctural characterisation of a new allotropic type of Fe Rh P","European Journal of Solid State Inorganic Chemistry","1997","34","","991","1010","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008798","8.5","","8.5","","4.777","","90","","90","","90","","345.1","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Holmium iron titanium deuteride (1/11.28/0.72/0.7)","","- D0.7 Fe11.28 Ho Ti0.72 -","- D0.7 Fe11.28 Ho Ti0.72 -","- D1.4 Fe22.56 Ho2 Ti1.44 -","2","0.0625","","Apostolov, A; Bezdushnyi, R; Stanev, N; Damianova, R; Fruchart, D; Isnard, O; Soubeyroux, J L","Neutron diffraction study of Ho Fe11 Ti Dx deuterides","Journal of Alloys Compd.","1997","253","","318","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008799","5.368","0.001","5.368","0.001","8.797","0.003","90","","90","","120","","219.5","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium chromium nickel deuteride (1/1.79/0.21/3.38)","","- Cr1.794 D3.38 Ni0.206 Zr -","- Cr1.794 D3.378 Ni0.206 Zr -","- Cr7.176 D13.512 Ni0.824 Zr4 -","4","0.166667","","Bououdina, M; Soubeyroux, J L; Fruchart, D; de Rango, P","Structural studies of Laves phases Zr (Cr1-x Nix)2 with 0 < x < 0.4 and their hydrides","Journal of Alloys Compd.","1997","257","","82","90","10.1016/S0925-8388(97)00028-5","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008800","5.343","0.001","5.343","0.001","8.747","0.003","90","","90","","120","","216.3","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium chromium nickel deuteride (1/1.455/0.545/3.384)","","- Cr1.454 D3.384 Ni0.546 Zr -","- Cr1.455 D3.384 Ni0.545 Zr -","- Cr5.82 D13.536 Ni2.18 Zr4 -","4","0.166667","","Bououdina, M; Soubeyroux, J L; Fruchart, D; de Rango, P","Structural studies of Laves phases Zr (Cr1-x Nix)2 with 0 < x < 0.4 and their hydrides","Journal of Alloys Compd.","1997","257","","82","90","10.1016/S0925-8388(97)00028-5","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008801","5.343","0.002","5.343","0.002","8.75","0.003","90","","90","","120","","216.3","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium chromium nickel deuteride (1/1.244/0.756/3.3)","","- Cr1.244 D3.3 Ni0.756 Zr -","- Cr1.244 D3.3 Ni0.756 Zr -","- Cr4.976 D13.2 Ni3.024 Zr4 -","4","0.166667","","Bououdina, M; Soubeyroux, J L; Fruchart, D; de Rango, P","Structural studies of Laves phases Zr (Cr1-x Nix)2 with 0 < x < 0.4 and their hydrides","Journal of Alloys Compd.","1997","257","","82","90","10.1016/S0925-8388(97)00028-5","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008802","10.42","","10.42","","10.42","","90","","90","","90","","1131.4","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Gallium tetraniobium octaselenide","","- Ga Nb4 Se8 -","- Ga Nb4 Se8 -","- Ga4 Nb16 Se32 -","4","0.0416667","","Ben Yaich, H; Jegaden, J C; Potel, M; Sergent, M; Rastogi, A K; Tournier, R","Nouveaux chalcogenures et chalcohalogenures a clusters tetraedriques Nb4 ou Ta4","Journal of the Less-Common Metals","1984","102","","9","22","10.1016/0022-5088(84)90384-9","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008804","5.875","0.001","5.875","0.001","43.571","0.006","90","","90","","120","","1302.4","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Barium zinc iron hexaferrate(III) (1/0.94/06.06/1)","","- Ba Fe6.06 O11 Zn0.94 -","- Ba Fe6.06 O11 Zn0.94 -","- Ba6 Fe36.36 O66 Zn5.64 -","6","0.166667","","Collomb, A; Muller, J; Guitel, J C; Desvignes, J M","Crystal structure and zinc location in the Ba Zn Fe6 O11 Y-type hexagonal ferrite","Journal of Magnetism and Magnetic Materials","1989","78","","77","84","10.1016/0304-8853(89)90089-9","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008805","8.553","0.005","12.849","0.005","5.392","0.002","91.08","0.02","88.61","0.04","89.68","0.04","592.3","","","","","","","","","","","","","3","P -1","-P 1","2","","Disamarium disilicate","","- O7 Si2 Sm2 -","- O7 Si2 Sm2 -","- O28 Si8 Sm8 -","4","2","","Norlund Christensen, A; Frost Jensen, A; Kruse Themsen, B; Gronbaek Hazell, R; Hanfland, M; Dooryhee, E","Structure investigations of the high-temperature phases of La2 Si2 O7, Gd2 Si2 O7 and Sm2 Si2 O7","Acta Chemica Scandinavica (43,1989-)","1997","51","","1178","1185","10.3891/acta.chem.scand.51-1178","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008806","5.1147","0.0002","8.8258","0.0004","9.6627","0.0004","73.323","0.003","86.173","0.003","86.33","0.003","416.4","","","","","","","","","","","","","4","P -1","-P 1","2","","Dititanium oxide bis(phosphate(V)) dihydrate","","- H4 O11 P2 Ti2 -","- H8 O11 P2 Ti2 -","- H16 O22 P4 Ti4 -","2","1","","Salvado, M A; Pertierra, P; Garcia-Granda, S; Garcia, J R; Fernandez-Diaz, M T; Dooryhee, E","Crystal structure, including H-atom positions, of Ti2 O (P O4)2 (H2 O)2 determined from synchrotron X-ray and neutron powder data","European Journal of Solid State Inorganic Chemistry","1997","34","","1237","1247","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008807","12.555","0.002","6.258","0.002","10.554","0.002","90","","90","","90","","829.2","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Sodium potassium oxotitanium phosphate(V) (0.99/0.01/1/1)","","- K0.008 Na0.992 O5 P Ti -","- K0.008 Na0.992 O5 P Ti -","- K0.064 Na7.936 O40 P8 Ti8 -","8","2","","Dahaoui, S; Hansen, N K; Menaert, B","Na Ti O P O4 and K Ti O P O4 at 110 K","Acta Crystallographica C (39,1983-)","1997","53","","1173","1176","","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008809","10.193","0.002","5.941","0.001","24.2","0.005","90","","90","","90","","1465.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cobalt magnesium germanium oxide (14.86/9.14/8/40)","","- Co14.86 Ge8 Mg9.14 O40 -","- Co14.86 Ge8 Mg9.14 O40 -","- Co29.72 Ge16 Mg18.28 O80 -","2","0.25","","Levy, D; Barbier, J","A new structural family: M10n-2 Ge3n+1 O16n with M = (Co, Mg) and (Ni, Mg)","Journal of Solid State Chemistry","1997","130","","9","19","10.1006/jssc.1997.7252","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008810","14.537","0.002","10.219","0.002","5.95","0.001","90","","90","","90","","883.9","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Cobalt magnesium germanium oxide (7.25/6.75/5/24)","","- Co7.25 Ge5 Mg6.75 O24 -","- Co7.254 Ge5 Mg6.746 O24 -","- Co14.508 Ge10 Mg13.492 O48 -","2","0.25","","Levy, D; Barbier, J","A new structural family: M10n-2 Ge3n+1 O16n with M = (Co, Mg) and (Ni, Mg)","Journal of Solid State Chemistry","1997","130","","9","19","10.1006/jssc.1997.7252","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008811","14.446","0.003","10.174","0.002","5.917","0.001","90","","90","","90","","869.6","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Trinickel undecamagnesium pentagermanium oxide","","- Ge5 Mg11 Ni3 O24 -","- Ge5 Mg10.996 Ni3.004 O24 -","- Ge10 Mg21.992 Ni6.008 O48 -","2","0.25","","Levy, D; Barbier, J","A new structural family: M10n-2 Ge3n+1 O16n with M = (Co, Mg) and (Ni, Mg)","Journal of Solid State Chemistry","1997","130","","9","19","10.1006/jssc.1997.7252","","","","","","0.103","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008812","11.885","0.001","10.654","0.001","12.206","0.001","90","","106.623","0.005","90","","1481","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","Sodium borate hydrate *","Borax","- B4 H20 Na2 O17 -","- B4 H20 Na2 O17 -","- B16 H80 Na8 O68 -","4","0.5","","Levy, H. A.; Lisensky, G. C.","Crystal structures of sodium sulfate decahydrate (Glauber's salt) and sodium tetraborate decahydrate (borax). Redetermination by neutron diffraction Note: anisoU's from ICSD","Acta Crystallographica, Section B","1978","34","","3502","3510","10.1107/S0567740878011504","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1008813","10.227","0.003","14.907","0.008","9.964","0.006","90","","90.77","0.04","90","","1518.9","","","","","","","","","","","","artificial at 1770 K for 10 h","4","I 1 2/m 1","-I 2y","12","","Barium titanium magnesium oxide (1.2/6.8/1.2/16)","Hollandite (Ti, Mg)","- Ba1.2 Mg1.2 O16 Ti6.8 -","- Ba1.2 Mg1.2 O16 Ti6.8 -","- Ba6 Mg6 O80 Ti34 -","5","0.625","","Fanchon, E.; Vicat, J.; Hodeau, J. L.; Wolfers, P.; Duc Tran Qui; Strobel, P.","Commensurate ordering and domains in the Ba1.2 Ti6.8 Mg1.2 O16 Hollandite.","Acta Crystallographica B (39,1983-)","1987","43","5","440","448","10.1107/S0108768187097520","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","188424","2020-10-21","18:00:00",""
"1008814","3.8298","0.0005","3.842","0.0005","12.111","0.001","90","","90","","90","","178.2","","","","","","","","","","","","","6","P m m m","-P 2 2","47","","Gold barium yttrium calcium copper oxide (1/2/0.7/0.3/2/7)","","- Au Ba2 Ca0.3 Cu2 O7 Y0.7 -","- Au Ba2 Ca0.3 Cu2 O7 Y0.7 -","- Au Ba2 Ca0.3 Cu2 O7 Y0.7 -","1","0.125","","Bordet, P; LeFloch, S; Chaillout, C; Duc, F; Gorius, M F; Perroux, M; Capponi, J J; Toulemonde, P; Tholence, J L","Au Ba2 (Y(1-x) Ca(x)) Cu2 O7: a new superconducting gold cuprate with Tc above 80 K","Physica C (Amsterdam) (152,1988-)","1997","276","","237","244","10.1016/S0921-4534(97)00031-2","","","","","","0.0491","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008815","5.948","0.0002","6.0951","0.0002","8.4854","0.0003","90","","90.063","0.006","90","","307.6","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Strontium bismuth trioxide","","- Bi O3 Sr -","- Bi O3 Sr -","- Bi4 O12 Sr4 -","4","1","","Kazakov, S M; Chaillout, C; Bordet, P; Capponi, J J; Nunez-Regueiro, M; Rysak, A; Tholence, J L; Radaelli, P G; Putilin, S N; Antipov, E V","Discovery of a second family of bismuth-oxide-based superconductors","Nature (London)","1997","390","","148","150","10.1038/36529","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008816","5.9416","0.0002","5.9416","0.0002","8.4394","0.0004","90","","90","","90","","297.9","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Strontium potassium bismuth oxide (0.44/0.56/1/3)","","- Bi K0.56 O3 Sr0.44 -","- Bi K0.56 O3 Sr0.44 -","- Bi4 K2.24 O12 Sr1.76 -","4","0.125","","Kazakov, S M; Chaillout, C; Bordet, P; Capponi, J J; Nunez-Regueiro, M; Rysak, A; Tholence, J L; Radaelli, P G; Putilin, S N; Antipov, E V","Discovery of a second family of bismuth-oxide-based superconductors","Nature (London)","1997","390","","148","150","10.1038/36529","","","","","","0.082","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008817","3.8986","0.0002","3.8986","0.0002","9.2466","0.0006","90","","90","","90","","140.5","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide sulfate(VI) (0.88/2/1/4.15/0.18)","","- Ba2 Cu Hg0.88 O4.87 S0.18 -","- Ba2 Cu Hg0.88 O4.87 S0.18 -","- Ba2 Cu Hg0.88 O4.87 S0.18 -","1","0.0625","","Bordet, P; Loureiro, S; LeFloch, S; Capponi, J J; Chaillout, C; Chenavas, J; Tholence, J L; Antipov, E V; Radaelli, P G; Marezio, M","High pressure synthesis and structure of the superconducting mercury cuprates (Hg(1-x) M(x)) Ba2 Ca(n-1) Cu(n) O(2+2n+d) with M= C, S","Physica C (Amsterdam) (152,1988-)","1997","282","","65","68","","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008818","3.8298","0.0005","3.842","0.0005","12.111","0.001","90","","90","","90","","178.2","","","","","","","","","","","","","6","P m m m","-P 2 2","47","","Gold barium yttrium calcium copper oxide (1/2/0.7/0.3/2/7)","","- Au Ba2 Ca0.3 Cu2 O7 Y0.7 -","- Au Ba2 Ca0.3 Cu2 O7 Y0.7 -","- Au Ba2 Ca0.3 Cu2 O7 Y0.7 -","1","0.125","","Bordet, P; Chaillout, C; Gautier, E; Gorius, M F; Le Floch, S; Perroux, M; Capponi, J J; Toulemonde, P; Tholence, J L","Au-1212 : a new superconducting gold cuprate with Tc above 80 K","Physica C (Amsterdam) (152,1988-)","1997","282","","951","952","","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008819","3.8816","0.0001","3.8816","0.0001","9.5163","0.0003","90","","90","","90","","143.4","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.34)","","- Ba2 Cu Hg O4.34 -","- Ba2 Cu Hg O4.34 -","- Ba2 Cu Hg O4.34 -","1","0.0625","","Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.","Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~","Superconductor Science and Technology","1997","10","8","598","604","10.1088/0953-2048/10/8/013","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","206899","2020-10-21","18:00:00",""
"1008820","3.8792","0.0001","3.8792","0.0001","9.5117","0.0002","90","","90","","90","","143.1","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.27)","","- Ba2 Cu Hg O4.27 -","- Ba2 Cu Hg O4.27 -","- Ba2 Cu Hg O4.27 -","1","0.0625","","Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.","Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~","Superconductor Science and Technology","1997","10","8","598","604","10.1088/0953-2048/10/8/013","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","206899","2020-10-21","18:00:00",""
"1008821","3.8776","0.0001","3.8776","0.0001","9.5005","0.0003","90","","90","","90","","142.8","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.01)","","- Ba2 Cu Hg O4.01 -","- Ba2 Cu Hg O4.01 -","- Ba2 Cu Hg O4.01 -","1","0.0625","","Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.","Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~","Superconductor Science and Technology","1997","10","8","598","604","10.1088/0953-2048/10/8/013","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","206899","2020-10-21","18:00:00",""
"1008822","3.8793","0.0001","3.8793","0.0001","9.505","0.0001","90","","90","","90","","143","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.27)","","- Ba2 Cu Hg O4.27 -","- Ba2 Cu Hg O4.27 -","- Ba2 Cu Hg O4.27 -","1","0.0625","","Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.","Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~","Superconductor Science and Technology","1997","10","8","598","604","10.1088/0953-2048/10/8/013","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","206899","2020-10-21","18:00:00",""
"1008823","3.8751","0.0001","3.8751","0.0001","9.4852","0.0001","90","","90","","90","","142.4","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.24)","","- Ba2 Cu Hg O4.24 -","- Ba2 Cu Hg O4.24 -","- Ba2 Cu Hg O4.24 -","1","0.0625","","Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.","Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~","Superconductor Science and Technology","1997","10","8","598","604","10.1088/0953-2048/10/8/013","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","206899","2020-10-21","18:00:00",""
"1008824","3.8784","0.0001","3.8784","0.0001","9.4903","0.0001","90","","90","","90","","142.8","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.31)","","- Ba2 Cu Hg O4.31 -","- Ba2 Cu Hg O4.31 -","- Ba2 Cu Hg O4.31 -","1","0.0625","","Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.","Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~","Superconductor Science and Technology","1997","10","8","598","604","10.1088/0953-2048/10/8/013","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","206899","2020-10-21","18:00:00",""
"1008825","10.194","0.001","11.503","0.002","9.682","0.001","100.55","0.01","115.81","0.01","99.13","0.01","967.7","","","","","","","","","","","","","5","P -1","-P 1","2","","Pentacaesium nonatungstorhenate(V) trihydrate","","- Cs5 H6 O35 Re W9 -","- Cs5 H9 O35 Re W9 -","- Cs5 H9 O35 Re W9 -","1","0.5","","Ortega, F; Pope, M T; Evans, H T jr","Tungstorhenate heteropolyanions.2.Synthesis and characterization of enneatungstorhenates (V), -(VI), and -(VII)","Inorganic Chemistry","1997","36","","2166","2169","10.1021/ic961142q","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008826","5.69","0.06","5.69","0.06","3.458","0.002","90","","90","","120","","97","","","","","","","","","","","","","2","P -6 2 m","P -6 -2","189","","Iron phosphide (2/1)","","- Fe2 P -","- Fe2 P -","- Fe6 P3 -","3","0.25","","Koumina, A; Bacmann, M; Fruchart, D; Soubeyroux, J-L; Wolfers, P; Tobola, J; Kaprzyk, S; Niziol, S; Mesnaoui, M; Zach, R","Crystallographic and magnetic properties of Fe2 P","Annales de Chimie (Paris) (Vol=Year)","1998","23","","177","180","10.1016/S0151-9107(98)80050-0","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008827","9.3938","0.0008","9.3938","0.0008","6.9013","0.0005","90","","90","","120","","527.4","","","","","","","","","","","","exchanged) - synthetic","6","P 63/m","-P 6c","176","","Calcium neodymium phosphate(V) silicate fluoride oxide (9/1/5/1/1.5/0.25)","Britholite (N","- Ca9 F1.5 Nd O24.25 P5 Si -","- Ca9 F1.54 Nd O24.28 P4.9998 Si1.0002 -","- Ca9 F1.54 Nd O24.28 P4.9998 Si1.0002 -","1","0.0833333","","Boyer, L; Savariault, J-M; Carpena, J; Lacout, J-L","A neodymium-substituted britholite compound","Acta Crystallographica C (39,1983-)","1998","54","","1057","1057","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008828","7.1486","0.0014","11.163","0.002","10.145","0.002","90","","90","","90","","809.6","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","dilead(II) diiron(III) digermanium(IV) oxide","","- Fe1.78 Ge2.11 Mg0.11 O9 Pb2 -","- Fe1.786 Ge2.107 Mg0.107 O9 Pb2 -","- Fe7.144 Ge8.428 Mg0.428 O36 Pb8 -","4","0.5","TA1174","Barbier, J; Levy, D","Pb~2~Fe~2~Ge~2~O~9~, the Germanate Analogue of the Silicate Mineral Melanotekite","Acta Crystallographica Section C","1998","54","1","2","5","10.1107/S0108270197012687","","","0.56086","AgKα","","0.032","0.0317","","","","0.0633","","","","0.926","0.926","0.868","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008829","8.8978","0.0003","13.7057","0.0004","7.5532","0.0002","90","","115.867","0.001","90","","828.8","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Potassium iron trigermanate","","- Fe Ge3 K O8 -","- Fe Ge3 K O8 -","- Fe4 Ge12 K4 O32 -","4","0.5","","Levy, D; Barbier, J","A sanidine feldspar analogue: K Fe Ge3 O8","Acta Crystallographica C (39,1983-)","1998","54","8","1","1","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008830","5.911","0.02","10.214","0.03","4.734","0.02","90","","90","","90.99","","285.8","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","Magnesium phosphate","","- Mg3 O8 P2 -","- Mg3 O8 P2 -","- Mg6 O16 P4 -","2","0.5","","Berthet, G; Joubert, J C; Bertaut, E F","Vacancies ordering in new metastable orthophosphates (Co3 ) P2 O8 and (Mg3 ) P2 O8 with olivin-related structure","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1972","136","","98","105","","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008831","12.676","0.002","12.676","0.002","5.601","0.001","90","","90","","90","","900","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Neodymium rhenium oxide (4/2/11)","","- Nd4 O11 Re2 -","- Nd4 O11 Re2 -","- Nd16 O44 Re8 -","4","0.5","","Wilhelmi, K A; Lagervall, E; Muller, O","On the crystal structure of Nd4 Re2 O11","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3406","3408","10.3891/acta.chem.scand.24-3406","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008832","5.5065","","5.5065","","19.659","","90","","90","","90","","596.1","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Strontium diterbium diiron(III) oxide","","- Fe2 O7 Sr Tb2 -","- Fe2 O7 Sr Tb2 -","- Fe8 O28 Sr4 Tb8 -","4","0.25","","Samaras, D; Collomb, A; Joubert, J C","Determination des structures de deux ferrite mixtes nouveaux de formule Ba La2 Fe2 O7 et Sr Tb2 Fe2 O7","Journal of Solid State Chemistry","1973","7","","337","348","10.1016/0022-4596(73)90142-4","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008833","7.883","0.005","7.883","0.005","10.863","0.009","90","","90","","120","","584.6","","","","","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","Trisodium hexahydroxotellurate trihydrogenbis(phosphate)","","- H9 Na3 O14 P2 Te -","- H18.5 Na3 O14 P2 Te -","- H37 Na6 O28 P4 Te2 -","2","0.166667","","Averbuch-Pouchot, M T","Structure d'un phosphate tellurate de sodium: Te (O H)6 Na2 H P O4 Na H2 P O4","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2405","2406","10.1107/S0567740880008850","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008834","11.82","","13.333","","7.816","","90","","90","","90","","1231.8","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Potassium dierbium fluoride - $-beta","","- Er2 F7 K -","- Er2 F7 K -","- Er16 F56 K8 -","8","2","","Aleonard, S; le Fur, Y; Gorius, M F; Roux, M T","Structure cristalline de la phase $-beta-K Er2 F7. Composes isotypes","Journal of Solid State Chemistry","1980","34","","79","89","10.1016/0022-4596(80)90406-5","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008835","9.2","","12.2","","2.99","","90","","90","","90","","335.6","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Dinickel diboron aluminium oxide","","- Al2 B2 Ni4 O10 -","- Al1.9998 B2 Ni4.0002 O10 -","- Al3.9996 B4 Ni8.0004 O20 -","2","0.25","","Schwab, A M; Bertaut, E F","Structure du boroaluminate B2 O3 Al2 O3 (Ni O)4","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1970","93","","255","257","","","","","","","0.17","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008837","14.287","0.006","8.004","0.003","11.95","0.004","90","","125.33","0.03","90","","1114.9","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Potassium diholmium fluoride","","- F7 Ho2 K -","- F7 Ho2 K -","- F56 Ho16 K8 -","8","2","","le Fur, Y.; Aléonard, S.; Gorius, M. F.; Roux, M. T.","Structure des phases de type α-KEr~2~F~7~","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1982","38","5","1431","1436","10.1107/S0567740882006098","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1008838","8.75","","9.4","","5.07","","90","","90","","90","","417","","","","","","","","","","","","","3","P c 21 n","P -2n -2ac","33","","Iron(III) gallium oxide (1.15/.85/3)","","- Fe1.15 Ga0.85 O3 -","- Fe1.155 Ga0.845 O3 -","- Fe9.24 Ga6.76 O24 -","8","2","","Bertaut, E F; Bassi, G; Buisson, G; Chappert, J; Delapalme, A; Pauthenet, R; Rebouillat, H P; Aleonard, R","Etude par effet Moessbauer, rayons X, diffraction neutronique et mesures magnetiques de Fe1.15 Ga.85 O3","Journal de Physique (Paris)","1966","27","","433","448","10.1051/jphys:01966002707-8043300","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008839","5.862","","17.586","","8.29","","90","","90","","90","","854.6","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Gallium lithium titanium oxide","","- Ga Li O4 Ti -","- Ga Li O4 Ti -","- Ga12 Li12 O48 Ti12 -","12","0.75","","Bertaut, E F; Patrat, G","Structure de Li Ga Ti O4, nouveau type d'ordre dans les spinelles","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1965","88","","586","589","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008840","7.839","0.005","12.428","0.005","6.556","0.002","90","","109.3","0.02","90","","602.8","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetrasilver tetrahydrogen 14-oxotetraarsenate","","- Ag4 As4 H4 O14 -","- Ag4 As4 H4 O14 -","- Ag8 As8 H8 O28 -","2","0.5","","Boudjada, A; Averbuch-Pouchot, M T","Structure cristalline de Ag4 H4 As4 O14: Un nouvel exemple d'anion As4 O14","Journal of Solid State Chemistry","1984","51","","76","82","10.1016/0022-4596(84)90317-7","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008841","5.892","0.0001","5.892","0.0001","23.183","0.001","90","","90","","120","","697","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Barium dodecairon(III) oxide","","- Ba Fe12 O19 -","- Ba Fe12 O19 -","- Ba2 Fe24 O38 -","2","0.0833333","","Obradors, X; Collomb, A; Pernet, M; Samaras, D; Joubert, J C","X-ray analysis of the structural and dynamic properties of Ba Fe12 O19 hexagonal ferrite at room temperature","Journal of Solid State Chemistry","1985","56","","171","181","10.1016/0022-4596(85)90054-4","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008842","3.756","","3.756","","6.234","","90","","90","","90","","87.9","","","","","","","","","","","","synthetic","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Bismuth oxide fluoride","Zavaritskite","- Bi F O -","- Bi F O -","- Bi2 F2 O2 -","2","0.125","","Soubeyroux, J. L.; Matar, S. F.; Reau, J. M.; Hagenmuller, P.","Etude des proprietes structurales et electriques de la solution solide Pb1-xBixOxF2-x Locality: synthetic","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1008843","6.5247","0.0003","6.5247","0.0003","6.5247","0.0003","90","","90","","90","","277.8","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Dimagnesium nickel tetradeuteride","","- D4 Mg2 Ni -","- D4.002 Mg2 Ni -","- D16.008 Mg8 Ni4 -","4","0.0208333","","Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B; Hagenmuller, P","Etude structurale du systeme Mg2 Ni - H2: II - La variete haute temperature de Mg2 Ni H4 de symetrie cubique","Materials Research Bulletin","1984","19","","969","978","10.1016/0025-5408(84)90209-5","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008844","4.112","0.001","4.112","0.001","29.495","0.006","90","","90","","120","","431.9","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Diantimony telluride diselenide","","- Sb2 Se2 Te -","- Sb2 Se2 Te -","- Sb6 Se6 Te3 -","3","0.166667","","Andriamihaja, A; Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E","Evolution structurale de la solution solide Sb2 Te(3-x) Se(x) (O < X < 2) dans le systeme Sb2 Te3 - Sb2 Se3","Revue de Chimie Minerale","1985","22","","357","368","","","","","","","0.0502","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008845","8.6548","0.0002","8.6548","0.0002","21.82178","0.0006","90","","90","","120","","1415.6","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Sodium chromium phosphorus oxide (3/2/3/12)","","- Cr2 Na3 O12 P3 -","- Cr2 Na2.91 O12 P3 -","- Cr12 Na17.46 O72 P18 -","6","0.166667","","Lucazeau, G; Barj, M; Soubeyroux, J L; Dianoux, A J; Delmas, C","Neutron scattering and diffraction study of Na3 Cr2 P3 O12, Na Zr2 P3 O12 and Na3 Zr Mg P3 O12","Solid State Ionics","1986","1819","","959","963","","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008846","8.6476","0.0002","8.6476","0.0002","21.6169","0.0006","90","","90","","120","","1400","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Trisodium dichromium triphosphorus(V) oxide","","- Cr2 Na3 O12 P3 -","- Cr2 Na2.98 O12 P3 -","- Cr12 Na17.88 O72 P18 -","6","0.166667","","Lucazeau, G; Barj, M; Soubeyroux, J L; Dianoux, A J; Delmas, C","Neutron scattering and diffraction study of Na3 Cr2 P3 O12, Na Zr2 P3 O12 and Na3 Zr Mg P3 O12","Solid State Ionics","1986","1819","","959","963","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008847","6.572","0.003","11.851","0.002","10.253","0.003","90","","100.33","0.03","90","","785.6","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Hexarhenium octaselenide dibromide","","- Br2 Re6 Se8 -","- Br2 Re6 Se8 -","- Br4 Re12 Se16 -","2","0.5","","Speziali, N L; Berger, H; Leicht, G; Sanjines, R; Chapius, G; Levy, F","Single crystal growth, structure and characterization of the octahedral cluster compound Re6 Se8 Br2","Materials Research Bulletin","1988","23","","1597","1604","10.1016/0025-5408(88)90248-6","","","","","","0.0446","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008848","10.474","0.008","10.474","0.008","41.67999","0.05","90","","90","","120","","3959.9","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Trilithium trisodium cyclo-hexaphosphate dodecahydrate","","- H24 Li3 Na3 O30 P6 -","- H24 Li3 Na3 O30 P6 -","- H144 Li18 Na18 O180 P36 -","6","0.166667","","Averbuch-Pouchot, M T","On the existence of two new mixed-alkali cyclohexaphosphates Li3 Na3 P6 O18 (H2 O)12 and Li3 K3 P6 O18 (H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","574","","225","234","","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008849","15.047","0.008","15.047","0.008","12.779","0.008","90","","90","","120","","2505.7","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Trilithium tripotassium cyclo-hexaphosphate hydrate","","- H2 K3 Li3 O19 P6 -","- H2 K3 Li3 O19 P6 -","- H12 K18 Li18 O114 P36 -","6","0.333333","","Averbuch-Pouchot, M T","On the existence of two new mixed-alkali cyclohexaphosphates Li3 Na3 P6 O18 (H2 O)12 and Li3 K3 P6 O18 (H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","574","","225","234","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008850","15.445","0.01","15.445","0.01","7.553","0.007","90","","90","","120","","1560.4","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Hexaammonium cyclo-hexaphosphate(V) hydrate","","- H26 N6 O19 P6 -","- H26 N6 O19 P6 -","- H78 N18 O57 P18 -","3","0.166667","","Averbuch-Pouchot, M T","Structure of ammonium cyclo-hexaphosphate monohydrate","Acta Crystallographica C (39,1983-)","1989","45","","539","540","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008851","15.056","0.01","15.056","0.01","16.07999","0.01","90","","90","","120","","3156.7","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Tricadmium cyclo-hexaphosphate(V) hexahydrate","","- Cd3 H12 O24 P6 -","- Cd3 H24 O24 P6 -","- Cd18 H144 O144 P36 -","6","0.333333","","Averbuch-Pouchot, M T","Crystal structure of cadmium cyclohexaphosphate hexahydrate: Cd3 P6 O18 (H2 O)6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","570","","138","144","10.1002/zaac.19895700114","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008852","13.531","0.005","7.544","0.004","8.298","0.005","90","","90.2","0.1","90","","847","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Decasodium di-μ-arsenido-bis(diarsenidogermanate)","","- As6 Ge2 Na10 -","- As6 Ge2 Na10 -","- As12 Ge4 Na20 -","2","0.5","","Eisenmann, B.; Klein, J.; Somer, M.","Crystal structure of decasodium di-μ-arsenido-bis(diarsenidogermanate), Na~10~Ge~2~As~6~","Zeitschrift für Kristallographie","1991","197","3-4","265","266","10.1524/zkri.1991.197.3-4.265","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","200128","2020-10-21","18:00:00",""
"1008853","5.797","0.002","5.797","0.002","27.724","0.006","90","0","90","0","120","0","806.9","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Tetrapotassium diarsenidocadmate","","- As2 Cd K4 -","- As2 Cd K4 -","- As6 Cd3 K12 -","3","0.0833333","","Eisenmann, B; Klein, J; Somer, M","Crystal structure of tetrapotassium diarsenidocadmate","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","271","272","10.1524/zkri.1991.197.3-4.271","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008854","15.172","0.005","15.172","0.005","13.994","0.005","90","","90","","120","","2789.7","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Trisilver triammonium cyclo-hexaphosphate(V) hydrate","","- Ag3 H14 N3 O19 P6 -","- Ag3 H26.3335 N3 O19 P6 -","- Ag18 H158.001 N18 O114 P36 -","6","0.333333","","Averbuch-Pouchot, M T","Crystal chemistry of cyclo-hexaphosphates. XIV.Structure of silver ammonium cyclo-hexaphosphate monohydrate","Acta Crystallographica C (39,1983-)","1991","47","","930","932","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008855","5.8758","0.0004","5.8758","0.0004","22.95799","0.002","90","","90","","120","","686.4","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Strontium dodecaferrate(III)","","- Fe12 O19 Sr -","- Fe12 O19 Sr -","- Fe24 O38 Sr2 -","2","0.0833333","","Muller, J; Collomb, A","A new representation of the bipyramidal site in the Sr Fe12 O19 M-type hexagonal ferrite between 4.6 and 195 K","Journal of Magnetism and Magnetic Materials","1992","103","","194","203","10.1016/0304-8853(92)90253-K","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008856","5.8821","0.0006","5.8821","0.0006","23.02299","0.002","90","","90","","120","","689.9","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Strontium dodecaferrate(III)","","- Fe12 O19 Sr -","- Fe12 O19 Sr -","- Fe24 O38 Sr2 -","2","0.0833333","","Muller, J; Collomb, A","A new representation of the bipyramidal site in the Sr Fe12 O19 M-type hexagonal ferrite between 4.6 and 195 K","Journal of Magnetism and Magnetic Materials","1992","103","","194","203","10.1016/0304-8853(92)90253-K","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008857","3.8764","0.0004","3.8764","0.0004","11.624","0.001","90","","90","","90","","174.7","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Yttrium barium copper oxide (1/2/2.8/7)","","- Ba2 Cu2.78 O7 Y -","- Ba2 Cu2.787 O7 Y -","- Ba2 Cu2.787 O7 Y -","1","0.0625","","Bordet, P; Chaillout, C; Fournier, T; Marezio, M; Kaldis, E; Karpinski, J; Jilek, E","Evidence by x-ray diffraction for two apical oxygen sites in a copper- deficient Y Ba2 Cu2.78 O7 crystal","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","47","6","3465","3468","10.1103/PhysRevB.47.3465","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008858","5.501","0.002","5.501","0.002","11.367","0.003","90","","90","","120","","297.9","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Uranium ruthenium silicide (2/2.8/1.2)","","- Ru2.83 Si1.17 U2 -","- Ru2.829 Si1.171 U2 -","- Ru8.487 Si3.513 U6 -","3","0.0833333","","Verniere, A; Lejay, P; Bordet, P; Chenavas, J; Brison, J P; Haen, P; Boucherle, J X","Crystal structures and physical properties of some new ternary compounds U2 T3X (T= Ru, Os; X= Si, Ge)","Journal of Alloys Compd.","1994","209","","251","255","10.1016/0925-8388(94)91108-8","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008859","15.854","0.009","15.854","0.009","51.26","0.02","90","","90","","120","","11158","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","Guanidinium cyclo-dodecaphosphate - telluric acid - water (1/12/24)","","- C12 H192 N36 O132 P12 Te12 -","- C12 H192 N36 O132 P12 Te12 -","- C36 H576 N108 O396 P36 Te36 -","3","0.166667","","Averbuch-Pouchot, M. T.; Schülke, U.","Preparation and crystal structure of guanidinium cyclododecaphosphate telluric acid hydrate: (C (N H2)3)12 P12 O36. 12Te (O H)6 . 24H2 O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","11","1997","2002","10.1002/zaac.19966221131","","","","","","0.031","","","","","","","","","","","","","","","has coordinates,has disorder","205555","2020-10-21","18:00:00",""
"1008860","9.782","0.001","9.782","0.001","6.298","0.002","90","","90","","120","","521.9","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Dipotassium dithionate(V)","","- K2 O6 S2 -","- K2 O6 S2 -","- K6 O18 S6 -","3","0.5","","de Matos Gomes, E; Ortega, J; Extebarria, J; Zuniga, F J; Breczewski, T","The crystal structure and optical activity of potassium dithionate, K2 S2 O6","Journal of Physics: Condensed Matter","1996","8","","2063","2071","10.1088/0953-8984/8/12/018","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008861","5.96","","3.49","","6.717","","90","","90","","90","","139.7","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cobalt manganese phosphide (1/1/1)","","- Co Mn P -","- Co Mn P -","- Co4 Mn4 P4 -","4","0.5","","Fruchart, D; Martin-Farrugia, C; Rouault, A; Senateur, J P","Etude structurale et magnetique de Co Mn P","Physica Status Solidi, Sectio A: Applied Research","1980","57","","675","682","10.1002/pssa.2210570225","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008862","5.96","","3.49","","6.717","","90","","90","","90","","139.7","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cobalt manganese phosphide (1/1/1)","","- Co Mn P -","- Co Mn P -","- Co4 Mn4 P4 -","4","0.5","","Fruchart, D; Martin-Farrugia, C; Rouault, A; Senateur, J P","Etude structurale et magnetique de Co Mn P","Physica Status Solidi, Sectio A: Applied Research","1980","57","","675","682","10.1002/pssa.2210570225","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008863","3.85159","0.00003","3.85159","","15.7644","0.0004","90","","90","","90","","233.9","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury barium calcium copper oxide (1/2/2/3/8.16)","","- Ba2 Ca2 Cu3 Hg O8.16 -","- Ba2 Ca2 Cu3 Hg O8.16 -","- Ba2 Ca2 Cu3 Hg O8.16 -","1","0.0625","","Armstrong, A R; David, W I F; Gameson, I; Edwards, P P; Capponi, J J; Bordet, P; Marezio, M","Pressure-induced structural changes in superconducting Hg Ba2 Ca(n-1) Cu(n) O(2n+2+d) (n=1,2,3) componunds","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1995","52","","15551","15557","10.1103/PhysRevB.52.15551","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008864","3.8089","0.0003","3.8089","0.0003","15.4","0.004","90","","90","","90","","223.4","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury barium calcium copper oxide (1/2/2/3/8.16)","","- Ba2 Ca2 Cu3 Hg O8.16 -","- Ba2 Ca2 Cu3 Hg O8.16 -","- Ba2 Ca2 Cu3 Hg O8.16 -","1","0.0625","","Armstrong, A R; David, W I F; Gameson, I; Edwards, P P; Capponi, J J; Bordet, P; Marezio, M","Pressure-induced structural changes in superconducting Hg Ba2 Ca(n-1) Cu(n) O(2n+2+d) (n=1,2,3) componunds","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1995","52","","15551","15557","10.1103/PhysRevB.52.15551","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008865","3.7608","0.0006","3.7608","0.0006","15.018","0.007","90","","90","","90","","212.4","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury barium calcium copper oxide (1/2/2/3/8.16)","","- Ba2 Ca2 Cu3 Hg O8.16 -","- Ba2 Ca2 Cu3 Hg O8.16 -","- Ba2 Ca2 Cu3 Hg O8.16 -","1","0.0625","","Armstrong, A R; David, W I F; Gameson, I; Edwards, P P; Capponi, J J; Bordet, P; Marezio, M","Pressure-induced structural changes in superconducting Hg Ba2 Ca(n-1) Cu(n) O(2n+2+d) (n=1,2,3) componunds","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1995","52","","15551","15557","10.1103/PhysRevB.52.15551","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008866","12.378","0.004","7.21","0.003","24.019","0.009","90","","99.67","0.02","90","","2113.1","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Disodium cobalt aluminium fluoride","","- Al Co F7 Na2 -","- Al Co F7 Na2 -","- Al16 Co16 F112 Na32 -","16","2","","Boireau, A; Gravereau, P; Dance, J M; Tressaud, A; Hagenmuller, P; Soubeyroux, J L; Welsch, M; Babel, D","Structural and magnetic properties of several cobalt(II) weberites","Materials Research Bulletin","1993","28","","27","38","10.1016/0025-5408(93)90005-X","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008867","6.6097","0.0001","10.4023","0.0002","6.3371","0.0001","90","","90","","90","","435.7","","","","","","","","","","","","","2","I m m 2","I 2 -2","44","","Chromium phosphide (2/1)","","- Cr2 P -","- Cr2 P -","- Cr24 P12 -","12","1.5","","Artigas, M; Bacmann, M; Fruchart, D; Fruchart, R","La structure cristalline de Cr2 P: Distorsion orthorhombique de la structure hexagonale de type Fe2 P","Journal of Solid State Chemistry","1996","123","","306","312","10.1006/jssc.1996.0184","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008868","5.947","0.001","5.947","0.001","35.82999","0.01","90","","90","","120","","1097.4","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Sodium potassium iron zinc oxide (1.3/.6/10.1/.9/17)","","- Fe10.1 K0.6 Na1.3 O17 Zn0.9 -","- Fe10.1 K0.6 Na1.302 O17 Zn0.9 -","- Fe30.3 K1.8 Na3.906 O51 Zn2.7 -","3","0.0833333","","Vincent, H; Bekka, A; Anne, M; Joubert, J C","Synthese, structure cristalline, condoctivite ionique, et proprietes magnetiques d'un nouveau ferrite der type alumine $-beta"" Na1.3 K.6 Fe10.1 Zn.9 O17","Journal of Solid State Chemistry","1989","81","","181","191","10.1016/0022-4596(89)90005-4","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008869","14.807","0.01","14.807","0.01","6.597","0.007","90","","90","","120","","1252.6","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Silver cyclohexaphosphate hydrate","","- Ag6 H2 O19 P6 -","- Ag6 H2.333 O19 P6 -","- Ag18 H6.999 O57 P18 -","3","0.166667","","Averbuch-Pouchot, M T","Crystal data and crystal structure of silver cyclohexaphosphate monohydrate: Ag6 P6 O18 * H2 O","Zeitschrift fuer Kristallographie (149,1979-)","1989","189","","17","23","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008870","2.724","0.005","2.724","0.005","4.295","0.007","90","","90","","120","","27.6","","","","","","","","","","","","from Ural, Russia","1","P 63/m m c","-P 6c 2c","194","Osmium","Osmium","Osmium","- Os -","- Os -","- Os2 -","2","0.0833333","","Levy, C; Picot, P","Nouvelles donnees sur les composes iridium-osmium. Existence de l'osmium natif","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1961","84","","312","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1008871","3.84","0.02","3.84","0.02","3.84","0.02","90","","90","","90","","56.6","","","","","","","","","","","","from Ural, Russia","2","F m -3 m","-F 4 2 3","225","","Iridium osmium (0.88/0.12)","Osmiridium","- Ir0.88 Os0.12 -","- Ir0.88 Os0.12 -","- Ir3.52 Os0.48 -","4","0.0208333","","Levy, C; Picot, P","Nouvelles donnees sur les composes iridium-osmium. Existence de l'osmium natif","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1961","84","","312","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008872","13.716","0.006","7.642","0.004","8.527","0.005","90","","90.3","0.1","90","","893.8","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Decasodium di-$-mue-arsenido-bis(diarsenidostannate)","","- As6 Na10 Sn2 -","- As6 Na10 Sn2 -","- As12 Na20 Sn4 -","2","0.5","","Eisenmann, B; Klein, J","Dimere Zintl-Anionen (Sn2 As6)10- und (Sn2 Sb6)10- in Alkaliverbindungen","Zeitschrift fuer Kristallographie (149,1979-)","1991","196","","213","229","","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008873","20.435","0.009","6.82","0.003","15.351","0.005","90","","90","","90","","2139.4","","","","","","","","","","","","","4","C m c e","-C 2ac 2","64","","Tetrasodium hexapotassium di-$-mue-arsenido-bis(diarsenidostannate)","","- As6 K6 Na4 Sn2 -","- As6 K6 Na4 Sn2 -","- As24 K24 Na16 Sn8 -","4","0.25","","Eisenmann, B; Klein, J","Dimere Zintl-Anionen (Sn2 As6)10- und (Sn2 Sb6)10- in Alkaliverbindungen","Zeitschrift fuer Kristallographie (149,1979-)","1991","196","","213","229","","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:55",""
"1008874","12.055","0.002","12.055","0.002","3.636","0.002","90","","90","","120","","457.6","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Iron palladium phosphide (1/1/1)","","- Fe P Pd -","- Fe0.96575 P Pd1.03425 -","- Fe11.589 P12 Pd12.411 -","12","1","","Artigas, M; Bacmann, M; Fruchart, D; Wolfers, P; Fruchart, R","Structural characterization of Fe Pd P: stabilization of a new polytype of the MM'X series","Journal of Alloys Compd.","1991","176","","105","114","10.1016/0925-8388(91)90015-N","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008875","8.776","0.001","8.776","0.001","12.661","0.001","90","","90","","120","","844.5","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Neodymium iron nitride (2/17/2.6)","","- Fe17 N2.6 Nd2 -","- Fe17 N2.58 Nd2 -","- Fe51 N7.74 Nd6 -","3","0.0833333","","Miraglia, S; Soubeyroux, J L; Kolbeck, C; Isnard, O; Fruchart, D; Guillot, M","Structural and magnetic properties of ternary nitrides R2 Fe17 Nx (R= Nd, Sm)","Journal of the Less-Common Metals","1991","171","","51","61","10.1016/0022-5088(91)90262-3","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008876","10.98","0.002","10.98","0.002","13.089","0.003","90","","90","","120","","1366.6","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lutetium iron hydride (1/2/3.3)","","- Fe2 H2.8 Lu -","- Fe2 H2.7825 Lu -","- Fe48 H66.78 Lu24 -","24","0.666667","","Pontonnier, L; Fruchart, D; Soubeyroux, J L; Triantafillidis, G; Berthier, Y","Structural and magnetic behavour of Lu Fe2 Hx","Journal of the Less-Common Metals","1991","172","","191","197","","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008877","7.815","0.001","7.815","0.001","7.815","0.001","91.2","","91.2","","91.2","","477","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Erbium iron hydride (1/2/3.5)","","- Er Fe2 H3.45 -","- Er Fe2 H3.0375 -","- Er8 Fe16 H24.3 -","8","0.666667","","Fruchart, D; Berthier, Y; De Saxce, T; Vulliet, P","Etudes structurales et magnetiques de formes cubiques et rhomboedriques Ln Fe2 Hx, Ln=Er,Tb","Journal of Solid State Chemistry","1987","67","","197","209","10.1016/0022-4596(87)90355-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008878","5.73","0.002","5.73","0.002","19.21599","0.004","90","","90","","120","","546.4","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Pentapotassium diarsenidoaurate","","- As2 Au K5 -","- As2 Au K5 -","- As4 Au2 K10 -","2","0.0833333","","Eisenmann, B; Klein, J; Somer, M","Linear anions (CuAs2)5-, (AuP/2)5- and (AuAs2)5- in potassium compounds","Journal of Alloys Compd.","1992","178","","431","439","10.1016/0925-8388(92)90284-G","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008879","5.377","0.002","5.377","0.002","18.771","0.004","90","","90","","120","","470","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Pentapotassium diarsenidocuprate","","- As2 Cu K5 -","- As2 Cu K5 -","- As4 Cu2 K10 -","2","0.0833333","","Eisenmann, B; Klein, J; Somer, M","Linear anions (CuAs2)5-, (AuP/2)5- and (AuAs2)5in potassium compounds","Journal of Alloys Compd.","1992","178","","431","439","10.1016/0925-8388(92)90284-G","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008880","5.636","0.002","5.636","0.002","18.71599","0.004","90","","90","","120","","514.9","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Pentapotassium diphosphidoaurate","","- Au K5 P2 -","- Au K5 P2 -","- Au2 K10 P4 -","2","0.0833333","","Eisenmann, B; Klein, J; Somer, M","Linear anions (CuAs2)5-, (AuP/2)5- and (AuAs2)5in potassium compounds","Journal of Alloys Compd.","1992","178","","431","439","10.1016/0925-8388(92)90284-G","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008881","3.92","","3.92","","15.5","","90","","90","","90","","238.2","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Bismuth vanadium cobalt oxide (4/1.70/0.30/10.55)","","- Bi4 Co0.3 O10.547 V1.7 -","- Bi4 Co0.2998 O10.5472 V1.7002 -","- Bi4 Co0.2998 O10.5472 V1.7002 -","1","0.03125","","Muller, C; Anne, M; Bacmann, M","Lattice vibrations and order-disorder transition in the oxide anionconductor BICOVOX.15: a neutron thermodiffractometry study","Solid State Ionics","1998","111","","27","36","10.1016/S0167-2738(98)00168-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008882","3.507","0.0002","5.7703","0.0003","5.2701","0.0003","90","","90","","90","","106.6","","","","","","","","","","","","","2","I m 2 m","I -2 -2","44","","Sodium ozonide","","- Na O3 -","- Na O3 -","- Na2 O6 -","2","0.25","","Klein, W; Armbruster, K; Jansen, M","Synthesis and crystal structure determination of sodium ozonide","Chemical Communications","1998","1998","","707","708","","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008883","9.121","0.001","17.02399","0.001","9.491","0.001","90","","90.25","0.01","90","","1473.7","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tripotassium cerium octathiodiosphate(V)","","- Ce K3 P2 S8 -","- Ce K3 P2 S8 -","- Ce4 K12 P8 S32 -","4","1","","Gauthier, G; Jobic, S; Brec, R; Rouxel, J","K3 Ce P2 S8: a new cerium thiophosphate with one-dimensional anionic chains","Inorganic Chemistry","1998","37","","2332","2333","10.1021/ic980091p","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008884","8.275","0.001","8.275","0.001","12.0643","0.0001","90","","90","","120","","715.4","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Cerium nickel silicide (2/15.11/1.89)","","- Ce2 Ni15.11 Si1.89 -","- Ce2 Ni15.11 Si1.89 -","- Ce6 Ni45.33 Si5.67 -","3","0.0833333","","Isnard, O; Buschow, K H J","Crystal structure and magnetic properties of the compound Ce2 Ni15 Si2","Journal of Alloys Compd.","1998","267","","50","53","10.1016/S0925-8388(97)00539-2","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008885","8.279","0.001","8.279","0.001","12.065","0.001","90","","90","","120","","716.2","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Cerium nickel silicide (2/15.11/1.89)","","- Ce2 Ni15.11 Si1.89 -","- Ce2 Ni15.11 Si1.89 -","- Ce6 Ni45.33 Si5.67 -","3","0.0833333","","Isnard, O; Buschow, K H J","Crystal structure and magnetic properties of the compound Ce2 Ni15 Si2","Journal of Alloys Compd.","1998","267","","50","53","10.1016/S0925-8388(97)00539-2","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008886","8.11975","0.0001","17.72995","0.00003","5.11821","0.00001","90","","90","","90","","736.8","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Yttrium iron germanide (1/6/6)","","- Fe6 Ge6 Y -","- Fe6 Ge6 Y -","- Fe24 Ge24 Y4 -","4","0.25","","Schobinger-Papamantellos, P; Buschow, K H J; de Boer, F R; Ritter, C; Isnard, O; Fauth, F","The Fe ordering in R Fe6 Ge6 compounds with non-magnetic R (R = Y, Lu, Hf) studied by neutron diffraction and magnetic measurements","Journal of Alloys Compd.","1998","267","","59","65","10.1016/S0925-8388(97)00548-3","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008887","5.09843","0.00004","5.09843","0.00004","8.08066","0.00007","90","","90","","120","","181.9","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Lutetium iron germanide (1/6/6)","","- Fe6 Ge6 Lu -","- Fe6 Ge6 Lu -","- Fe6 Ge6 Lu -","1","0.0416667","","Schobinger-Papamantellos, P; Buschow, K H J; de Boer, F R; Ritter, C; Isnard, O; Fauth, F","The Fe ordering in R Fe6 Ge6 compounds with non-magnetic R (R = Y, Lu, Hf) studied by neutron diffraction and magnetic measurements","Journal of Alloys Compd.","1998","267","","59","65","10.1016/S0925-8388(97)00548-3","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008888","5.016","0.009","5.016","0.009","8.038","0.001","90","","90","","120","","175.1","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Hafnium iron germanide (1/6/6)","","- Fe6 Ge6 Hf -","- Fe6 Ge6 Hf -","- Fe6 Ge6 Hf -","1","0.0416667","","Schobinger-Papamantellos, P; Buschow, K H J; de Boer, F R; Ritter, C; Isnard, O; Fauth, F","The Fe ordering in R Fe6 Ge6 compounds with non-magnetic R (R = Y, Lu, Hf) studied by neutron diffraction and magnetic measurements","Journal of Alloys Compd.","1998","267","","59","65","10.1016/S0925-8388(97)00548-3","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008889","5.025","0.002","5.025","0.002","8.0149","0.0018","90","","90","","120","","175.3","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Hafnium iron germanide (1/6/6)","","- Fe6 Ge6 Hf -","- Fe6 Ge6 Hf -","- Fe6 Ge6 Hf -","1","0.0416667","","Schobinger-Papamantellos, P; Buschow, K H J; de Boer, F R; Ritter, C; Isnard, O; Fauth, F","The Fe ordering in R Fe6 Ge6 compounds with non-magnetic R (R = Y, Lu, Hf) studied by neutron diffraction and magnetic measurements","Journal of Alloys Compd.","1998","267","","59","65","10.1016/S0925-8388(97)00548-3","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008890","8.66","","8.66","","12.56","","90","","90","","120","","815.7","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Cerium iron deuteride (2/17/4.7)","","- Ce2 D4.7 Fe17 -","- Ce2 D4.698 Fe17 -","- Ce6 D14.094 Fe51 -","3","0.0833333","","Artigas, M; Fruchart, D; Isnard, O; Miraglia, S; Soubeyroux, J L","Structural, magnetic and hydrogenation properties of R2 Fe17-x Six alloys (R = rare earth element). I. Crystal structure behaviour of the Ce2 Fe17-x Six Hy system (0<x<5,y<5)","Journal of Alloys Compd.","1998","270","","28","34","10.1016/S0925-8388(98)00501-5","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008891","8.605","","8.605","","12.563","","90","","90","","120","","805.6","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Cerium iron silicon deuteride (2/16/1/3.7)","","- Ce2 D3.7 Fe16 Si -","- Ce2 D3.702 Fe15.998 Si1.002 -","- Ce6 D11.106 Fe47.994 Si3.006 -","3","0.0833333","","Artigas, M; Fruchart, D; Isnard, O; Miraglia, S; Soubeyroux, J L","Structural, magnetic and hydrogenation properties of R2 Fe17-x Six alloys (R = rare earth element). I. Crystal structure behaviour of the Ce2 Fe17-x Six Hy system (0<x<5,y<5)","Journal of Alloys Compd.","1998","270","","28","34","10.1016/S0925-8388(98)00501-5","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008892","8.54","","8.54","","12.522","","90","","90","","120","","790.9","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Cerium iron silicon deuteride (2/15/2/2.78)","","- Ce2 D2.78 Fe15 Si2 -","- Ce2 D2.778 Fe15.002 Si1.998 -","- Ce6 D8.334 Fe45.006 Si5.994 -","3","0.0833333","","Artigas, M; Fruchart, D; Isnard, O; Miraglia, S; Soubeyroux, J L","Structural, magnetic and hydrogenation properties of R2 Fe17-x Six alloys (R = rare earth element). I. Crystal structure behaviour of the Ce2 Fe17-x Six Hy system (0<x<5,y<5)","Journal of Alloys Compd.","1998","270","","28","34","10.1016/S0925-8388(98)00501-5","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008893","8.485","","8.485","","12.463","","90","","90","","120","","777.1","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Cerium iron silicon deuteride (2/14/3/0.79)","","- Ce2 D0.79 Fe14 Si3 -","- Ce2 D0.789 Fe14 Si3 -","- Ce6 D2.367 Fe42 Si9 -","3","0.0833333","","Artigas, M; Fruchart, D; Isnard, O; Miraglia, S; Soubeyroux, J L","Structural, magnetic and hydrogenation properties of R2 Fe17-x Six alloys (R = rare earth element). I. Crystal structure behaviour of the Ce2 Fe17-x Six Hy system (0<x<5,y<5)","Journal of Alloys Compd.","1998","270","","28","34","10.1016/S0925-8388(98)00501-5","","","","","","0.097","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008894","15.9634","0.0005","7.8502","0.0002","10.8664","0.0003","90","","97.931","0.002","90","","1348.7","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tricerium bis(tetrathiosilicate) iodide","","- Ce3 I S8 Si2 -","- Ce3 I S8 Si2 -","- Ce12 I4 S32 Si8 -","4","0.5","","Gauthier, G; Kawasaki, S; Jobic, S; Macaudiere, P; Brec, R; Rouxel, J","Synthesis and structure of the first cerium iodothiosilicate: Ce3 (Si S4)2 I","Journal of Alloys Compd.","1998","275","","46","49","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008895","8.566","0.001","8.566","0.001","4.802","0.001","90","","90","","90","","352.4","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Cerium iron titanium hydride (1/11.04/0.96/0.87)","","- Ce Fe11.04 H0.87 Ti0.96 -","- Ce Fe11.04 H0.87 Ti0.96 -","- Ce2 Fe22.08 H1.74 Ti1.92 -","2","0.0625","","Isnard, O; Miraglia, S; Guillot, M; Fruchart, D","Hydrogen effects on the magnetic properties of R Fe11 Ti compounds","Journal of Alloys Compd.","1998","275","","637","641","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008896","9.752","0.002","9.752","0.002","6.304","0.002","90","","90","","90","","599.5","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Samarium cobalt silicide (1/9/2)","","- Co9 Si2 Sm -","- Co9 Si2 Sm -","- Co36 Si8 Sm4 -","4","0.125","","Garcia-Landa, B; Fruchart, D; Gignoux, D; Skolozdra, R; Soubeyroux, J L","Synthesis, structural and magnetic properties of the interstitial compounds R Co9 Si2 Cx with R = Sm, Nd, Y and 0<x<1.8","Journal of Alloys Compd.","1998","278","","6","16","10.1016/S0925-8388(98)00511-8","","","","","","0.087","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008897","9.954","0.002","9.954","0.002","6.48","0.003","90","","90","","90","","642.1","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Samarium cobalt silicide carbide (1/9/2/1.58)","","- C1.575 Co9 Si2 Sm -","- C1.575 Co9 Si2 Sm -","- C6.3 Co36 Si8 Sm4 -","4","0.125","","Garcia-Landa, B; Fruchart, D; Gignoux, D; Skolozdra, R; Soubeyroux, J L","Synthesis, structural and magnetic properties of the interstitial compounds R Co9 Si2 Cx with R = Sm, Nd, Y and 0<x<1.8","Journal of Alloys Compd.","1998","278","","6","16","10.1016/S0925-8388(98)00511-8","","","","","","0.091","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1008898","7.9976","0.0005","7.9976","0.0005","7.9976","0.0005","90","","90","","90","","511.5","","","","","","","","","","","","synthetic","4","F m -3 m","-F 4 2 3","225","","Dilead magnesiotellurate(VI)","Elpasolite","- Mg O6 Pb2 Te -","- Mg O6 Pb2 Te -","- Mg4 O24 Pb8 Te4 -","4","0.0208333","","Baldinozzi, G; Grebille, D; Sciau, Ph; Kiat, J-M; Moret, J; Berar, J-F","Rietveld refinement of the incommensurate structure of the elpasolite (ordered perovskite) Pb2 Mg Te O6","Journal of Physics: Condensed Matter","1998","10","","6461","6472","10.1088/0953-8984/10/29/006","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008899","7.9838","0.0005","7.9838","0.0005","7.9838","0.0005","90","","90","","90","","508.9","","","","","","","","","","","","synthetic","4","F m -3 m","-F 4 2 3","225","","Dilead magnesiotellurate(VI)","Elpasolite","- Mg O6 Pb2 Te -","- Mg O6 Pb2 Te -","- Mg4 O24 Pb8 Te4 -","4","0.0208333","","Baldinozzi, G; Grebille, D; Sciau, Ph; Kiat, J-M; Moret, J; Berar, J-F","Rietveld refinement of the incommensurate structure of the elpasolite (ordered perovskite) Pb2 Mg Te O6","Journal of Physics: Condensed Matter","1998","10","","6461","6472","10.1088/0953-8984/10/29/006","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008900","5.6447","0.0005","5.6447","0.0005","5.6447","0.0005","59.923","0.004","59.923","0.004","59.923","0.004","127","","","","","","","","","","","","synthetic","4","R -3 :R","-P 3*","148","","Dilead magnesiotellurate(VI)","Elpasolite","- Mg O6 Pb2 Te -","- Mg O6 Pb1.9998 Te -","- Mg O6 Pb1.9998 Te -","1","0.166667","","Baldinozzi, G; Grebille, D; Sciau, Ph; Kiat, J-M; Moret, J; Berar, J-F","Rietveld refinement of the incommensurate structure of the elpasolite (ordered perovskite) Pb2 Mg Te O6","Journal of Physics: Condensed Matter","1998","10","","6461","6472","10.1088/0953-8984/10/29/006","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008901","15.9634","0.0005","7.8502","0.0002","10.8664","0.0003","90","","97.931","0.002","90","","1348.7","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tricerium bis(tetrathiosilicate) iodide","","- Ce3 I S8 Si2 -","- Ce3 I S8 Si2 -","- Ce12 I4 S32 Si8 -","4","0.5","","Gauthier, G; Kawasaki, S; Jobic, S; Macaudiere, P; Brec, R; Rouxel, J","Characterization of Ce3 (Si S4)2 I, a compound with a new structure type","Journal of Materials Chemistry","1998","8","1","179","186","10.1039/a704702i","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008902","5.11","0.01","10.3","0","6.15","0.01","90","","90","","90","","323.7","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Tricobalt diuranium(V) oxide - HT","","- Co3 O8 U2 -","- Co3 O8 U2 -","- Co6 O16 U4 -","2","0.25","","Bacmann, M; Lambert-Andron, B","Structures cristallines de Co3 U2 O8 a 300 K et 110 K","Physica Status Solidi, Sectio A: Applied Research","1982","72","","833","837","10.1002/pssa.2210720249","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008903","5.11","0.01","10.3","0","6.15","0.01","90","","90","","90","","323.7","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Tricobalt diuranium(V) oxide - HT","","- Co3 O8 U2 -","- Co3 O8 U2 -","- Co6 O16 U4 -","2","0.25","","Bacmann, M; Lambert-Andron, B","Structures cristallines de Co3 U2 O8 a 300 K et 110 K","Physica Status Solidi, Sectio A: Applied Research","1982","72","","833","837","10.1002/pssa.2210720249","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008904","5.11","0.01","10.3","0","6.15","0.01","90","","90","","90","","323.7","","","","","","","","","","","","","3","P n 21 m","P -2 -2bc","31","","Tricobalt diuranium(V) oxide - LT","","- Co3 O8 U2 -","- Co3 O8 U2 -","- Co6 O16 U4 -","2","0.5","","Bacmann, M; Lambert-Andron, B","Structures cristallines de Co3 U2 O8 a 300 K et 110 K","Physica Status Solidi, Sectio A: Applied Research","1982","72","","833","837","10.1002/pssa.2210720249","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008905","4.19","0.01","4.19","0.01","4.19","0.01","90","","90","","90","","73.6","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Europium boride (1/6)","","- B6 Eu -","- B6 Eu -","- B6 Eu -","1","0.0208333","","Tarascon, J M; Soubeyroux, J L; Etourneau, J; Georges, R; Coey, J M D; Massenet, O","Magnetic structures determined by neutron diffraction in the Eu B6-x Cx system","Solid State Communications","1981","37","","133","137","10.1016/0038-1098(81)90728-6","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008906","4.17","0.01","4.17","0.01","4.17","0.01","90","","90","","90","","72.5","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Europium boride carbide (1/5.95/0.05)","","- B5.95 Eu -","- C0.0498 B5.9502 Eu -","- C0.0498 B5.9502 Eu -","1","0.0208333","","Tarascon, J M; Soubeyroux, J L; Etourneau, J; Georges, R; Coey, J M D; Massenet, O","Magnetic structures determined by neutron diffraction in the Eu B6-x Cx system","Solid State Communications","1981","37","","133","137","10.1016/0038-1098(81)90728-6","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008907","4.16","0.01","4.16","0.01","4.16","0.01","90","","90","","90","","72","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Europium boride carbide (1/5.8/0.2)","","- B5.8 Eu -","- C0.1998 B5.8002 Eu -","- C0.1998 B5.8002 Eu -","1","0.0208333","","Tarascon, J M; Soubeyroux, J L; Etourneau, J; Georges, R; Coey, J M D; Massenet, O","Magnetic structures determined by neutron diffraction in the Eu B6-x Cx system","Solid State Communications","1981","37","","133","137","10.1016/0038-1098(81)90728-6","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008908","12.7853","","12.7853","","12.7853","","90","","90","","90","","2089.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Manganese yttrium deuteride (23/6/8.32)","","- D8.323 Mn23 Y6 -","- D8.3232 Mn23 Y6 -","- D33.2928 Mn92 Y24 -","4","0.0208333","","Commandre, M; Fruchart, D; Rouault, A; Sauvage, D; Shoemaker, C B; Shoemaker, D P","Etude par diffraction neutronique des composes Mn23 Y6 Dx","Journal de Physique, Lettres","1979","40","","L639","L642","","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008911","8.54","","8.54","","8.54","","90","","90","","90","","622.8","","","","","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","Barium potassium sodium bismuth oxide (3.04/0.96/0.63/3.37/12)","","- Ba3.04 Bi3.37 K0.96 Na0.63 O12 -","- Ba3.04 Bi3.369 K0.96 Na0.631 O12 -","- Ba6.08 Bi6.738 K1.92 Na1.262 O24 -","2","0.0208333","","Chaillout, C; Durr, J; Escribe-Filippini, C; Fournier, T; Marcus, J; Marezio, M","Structure determination of a new perovskite phase in the Ba K - Bi - Na - O system","Journal of Solid State Chemistry","1991","93","","63","68","10.1016/0022-4596(91)90274-L","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008912","4.6213","0.0005","4.6213","0.0005","8.8864","0.0006","90","","90","","90","","189.8","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Tungsten divanadate(III)","","- O6 V2 W -","- O6 V2 W -","- O12 V4 W2 -","2","0.125","","Hodeau, J L; Gondrand, M; Labeau, M; Joubert, J C","Structure cristalline de W2 O6 sur monocristal a 298 et 383K","Acta Crystallographica B (24,1968-38,1982)","1978","34","","3543","3547","10.1107/S0567740878011541","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008913","4.6212","0.0004","4.6212","0.0004","8.8959","0.0006","90","","90","","90","","190","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Tungsten divanadate(III)","","- O6 V2 W -","- O6 V2 W -","- O12 V4 W2 -","2","0.125","","Hodeau, J L; Gondrand, M; Labeau, M; Joubert, J C","Structure cristalline de W~2~ O~6~ sur monocristal a 298 et 383K","Acta Crystallographica B (24,1968-38,1982)","1978","34","","3543","3547","10.1107/S0567740878011541","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008914","12.097","0.001","12.097","0.001","12.097","0.001","90","","90","","90","","1770.2","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Magnesium boron oxide sulfide (3/7/12.7/0.9)","","- B7 Mg3 O12.65 S0.85 -","- B7 Mg3 O12.65 S0.85 -","- B56 Mg24 O101.2 S6.8 -","8","0.0833333","","Fouassier, C; Levasseur, A; Joubert, J C; Muller, J; Hagenmueller, P","Les systemes B2 O3 - MO - MS boracites M-S (M= Mg, Mn, Fe, Cd) et sodalites M-S (M= Co, Zn)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1970","375","","202","208","10.1002/zaac.19703750210","","","","","","0.14","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008915","6.042","0.001","6.042","","11.37","0.01","90","","90","","120","","359.5","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Lutetium manganese(III) trioxide","","- Lu Mn O3 -","- Lu Mn O3 -","- Lu6 Mn6 O18 -","6","0.5","","Yakel, H L; Koehler, W C; Bertaut, E F; Forrat, E F","On the crystal structure of the manganese(III) trioxides of the heavy lanthanides and yttrium","Acta Crystallographica (1,1948-23,1967)","1963","16","","957","962","10.1107/S0365110X63002589","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008916","6.528","0.001","4.217","0.001","6.435","0.001","90","","115.94","","90","","159.3","","","","","","","","","","","","","3","P 1 2 1","P 2y","3","","Potassium diytterbium fluoride - $-beta","","- F7 K Yb2 -","- F7 K Yb2 -","- F7 K Yb2 -","1","0.5","","le Fur, Y; Aleonard, S; Gorius, M F; Roux, M T","Structure cristalline de la phase $-beta-K Yb2 F7","Journal of Solid State Chemistry","1980","35","","29","33","10.1016/0022-4596(80)90459-4","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008917","15.966","","7.501","","4.858","","90","","90","","90","","581.8","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","Vanadium silicide (6/5)","","- Si5 V6 -","- Si5 V6 -","- Si20 V24 -","4","0.25","","Spinat, P; Fruchart, R","Structure des phases binaires V6 Si5 et Ti6 Ge5","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1970","93","","23","36","","","","","","","0.134","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008918","6.76","0.02","6.76","0.02","6.76","0.02","90","","90","","90","","308.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Hydrazine hydrate","","- H6 N2 O -","- H7.008 N2.004 O -","- H28.032 N8.016 O4 -","4","0.0208333","","Zocchi, M.; Busing, W. R.; Ellison, R. D.; Levy, H. A.","An X-ray study of hydrazine hydrate, N2 H4 (H2 O)","Acta Crystallographica (1,1948-23,1967)","1962","15","8","803","803","10.1107/S0365110X62002066","","","","","","0.22","","","","","","","","","","","","","","","has coordinates","188477","2020-10-21","18:00:00",""
"1008919","6.416","0.001","6.416","0.001","3.553","0.002","90","","90","","120","","126.7","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Niobium manganese silicide (1/1/1)","","- Mn Nb Si -","- Mn Nb Si -","- Mn3 Nb3 Si3 -","3","0.25","","Deyris, B; Roy-Montreuil, J; Fruchart, R; Michel, A","Etude cristallographique du compose Nb Mn Si","Bulletin de la Societe Chimique de France (Vol=Year)","1968","1968","","1303","1304","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008920","6.9","","6.9","","6.9","","90","","90","","90","","328.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Tetradeuterioammonium bromide - I","","- Br D4 N -","- Br D3.9984 N -","- Br4 D15.9936 N4 -","4","0.0208333","","Levy, H A; Peterson, S W","Neutron diffraction determination of the crystal structure of ammonium bromide in four phases","Journal of the American Chemical Society","1953","75","","1536","1542","10.1021/ja01103a006","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008921","6.299","0.002","3.607","0.001","11.731","0.003","90","","91.87","","90","","266.4","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","Chromium selenide (3/4)","","- Cr3 Se4 -","- Cr3 Se4 -","- Cr6 Se8 -","2","0.25","","Chevreton, M; Bertaut, F","Etude de seleniures de chrome.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1961","253","","145","147","","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008922","12.664","0.01","7.374","0.008","11.979","0.006","90","","91.25","0.03","90","","1118.4","","","","","","","","","","","","","2","C 1 2/m 1 (a,b,a+2*c)","-C 2y (x-1/2*z,y,1/2*z)","12","","Chromium selenide (7/8)","","- Cr7 Se8 -","- Cr7 Se8 -","- Cr28 Se32 -","4","","","Chevreton, M; Bertaut, F","Etude de seleniures de chrome.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1961","253","","145","147","","","","","","","0.18","","","","","","","","","","","","","","","has coordinates","208309","2020-10-21","18:00:00",""
"1008923","3.68","0.005","3.68","0.005","10.52","0.01","90","","90","","120","","123.4","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Yttrium aluminium oxide","","- Al O3 Y -","- Al O3 Y -","- Al2 O6 Y2 -","2","0.0833333","","Bertaut, F; Mareschal, J","Un nouveau type de structure hexagonale: Al T O3 (T = Y, Eu, Gd, Tb, Dy, Ho, Er).","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1963","257","","867","870","","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008924","5.177","","5.177","","14.168","","90","","90","","120","","328.8","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Tetramanganese diniobium oxide","","- Mn4 Nb2 O9 -","- Mn4 Nb2 O9 -","- Mn8 Nb4 O18 -","2","0.166667","","Bertaut, F; Corliss, L; Forrat, F","Structure cristallographique et magnetique de niobates et tantalates de metaux de transition bivalents.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1960","251","","1733","1735","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008925","5.177","","5.177","","14.168","","90","","90","","120","","328.8","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Tetracobalt diniobium oxide","","- Co4 Nb2 O9 -","- Co4 Nb2 O9 -","- Co8 Nb4 O18 -","2","0.166667","","Bertaut, F; Corliss, L; Forrat, F","Structure cristallographique et magnetique de niobates et tantalates de metaux de transition bivalents.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1960","251","","1733","1735","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008926","5.326","","11.34","","3.448","","90","","90","","90","","208.2","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Lithium gadolinium oxide","","- Gd Li O2 -","- Gd Li O2 -","- Gd4 Li4 O8 -","4","0.5","","Gondrand, M; Bertaut, E F","Une nouvelle classe de composes Li T O2 (T = Sm, Eu, Gd)","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1963","86","","301","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008927","5.672","","7.136","","5.377","","90","","90","","90","","217.6","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Iron(III) sodium oxide - $-beta","","- Fe Na O2 -","- Fe Na O2 -","- Fe4 Na4 O8 -","4","1","","Bertaut, F.; Delapalme, A.; Bassi, G.","Structure magnetique de β-FeNaO~2~. Raffinement des paramèters atomiques","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences","1963","257","","421","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","200088","2020-10-21","18:00:00",""
"1008928","9.79","","9.79","","9.79","","90","","90","","90","","938.3","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Scandium oxide","","- O3 Sc2 -","- O3 Sc2 -","- O48 Sc32 -","16","0.333333","","Milligan, W O; Vernon, L W; Levy, H A; Peterson, S W","Neutron diffraction studies on scandium orthovanadate and scandium oxide","Journal of Physical Chemistry","1953","57","","535","537","10.1021/j150506a012","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1008929","5.96","","5.96","","5.96","","29.43","","29.43","","29.43","","45.2","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Copper(I) iron(III) oxide","","- Cu Fe O2 -","- Cu Fe O2 -","- Cu Fe O2 -","1","0.0833333","","Delorme, C; Bertaut, F","Sur l'etat de valences dans le compose Cu Fe O2","Journal de Physique et du Radium","1953","14","","129","130","10.1051/jphysrad:01953001402012901","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008932","6.9423","0.0001","6.9423","0.0001","6.064","0.0003","90","","90","","90","","292.3","","","","","","","","","","","","synthetic","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Terbium phosphate(V)","Xenotime (Tb)","- O4 P Tb -","- O4 P Tb -","- O16 P4 Tb4 -","4","0.125","","Coing-Boyat, J; Sayetat, F; Apostolov, A","Caracteristiques cristallographiques, proprietes et structure magnetiques de Tb P O4 dans la gamme 1.5 K - 300 K","Journal de Physique (Paris)","1975","36","","1165","1174","10.1051/jphys:0197500360110116500","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008933","6.9414","0.0002","6.9414","0.0002","6.0704","0.0004","90","","90","","90","","292.5","","","","","","","","","","","","synthetic","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Terbium phosphate(V)","Xenotime (Tb)","- O4 P Tb -","- O4 P Tb -","- O16 P4 Tb4 -","4","0.125","","Coing-Boyat, J; Sayetat, F; Apostolov, A","Caracteristiques cristallographiques, proprietes et structure magnetiques de Tb P O4 dans la gamme 1.5 K - 300 K","Journal de Physique (Paris)","1975","36","","1165","1174","10.1051/jphys:0197500360110116500","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008934","3.939","","3.939","","19.98","","90","","90","","120","","268.5","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sodium erbium sulfide","","- Er Na S2 -","- Er Na S2 -","- Er3 Na3 S6 -","3","0.0833333","","Ballestracci, R; Bertaut, E F","Etude crystallographique de sulfures de terres rares et de sodium","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1964","87","","512","517","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008935","4.486","","4.537","","3.138","","90","","90","","90","","63.9","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Platinum(IV) oxide - β","","- O2 Pt -","- O2 Pt -","- O4 Pt2 -","2","0.25","","Muller, Olaf; Roy, Rustum","Formation and stability of the platinum and rhodium oxides at high oxygen pressures and the structures of Pt~3~O~4~, β-PtO~2~ and RhO~2~","Journal of the Less-Common Metals","1968","16","2","129","146","10.1016/0022-5088(68)90070-2","","","","","","0.122","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1008936","4.546","","6.959","","11.976","","90","","90","","90","","378.9","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Manganese carbide (7/3)","","- C3 Mn7 -","- C3 Mn7 -","- C12 Mn28 -","4","0.5","","Bouchard, J P","Etude structurale des carbures de manganese","Annales de Chimie (Paris) (Vol=Year)","1967","1967","","353","366","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008937","4.537","","6.892","","11.913","","90","","90","","90","","372.5","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Iron carbide (7/3)","","- C3 Fe7 -","- C3 Fe7 -","- C12 Fe28 -","4","0.5","","Bouchard, J P","Etude structurale des carbures de manganese","Annales de Chimie (Paris) (Vol=Year)","1967","1967","","353","366","","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1008938","8.0483","","12.025","","5.8608","","90","","90","","90","","567.2","","","","","","","","","","","","","3","C m m a","-C 2a 2","67","","Rubidium hexafluoroprotactinate","","- F6 Pa Rb -","- F6 Pa Rb -","- F24 Pa4 Rb4 -","4","0.25","","Burns, J H; Levy, H A; Keller, O L","The crystal structure of rubidium hexafluoroprotactinate Rb Pa F6","Acta Crystallographica B (24,1968-38,1982)","1968","24","","1675","1680","10.1107/S0567740868004838","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008939","3.846","","3.846","","12.594","","90","","90","","90","","186.3","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Strontium neodymium iron(III) oxide","","- Fe Nd O4 Sr -","- Fe Nd O4 Sr -","- Fe2 Nd2 O8 Sr2 -","2","0.0625","","Joubert, J C; Collomb, A; Elmaleh, D; le Flem, G; Daoudi, A; Ollivier, G","Sur quelques nouveaux oxydes mixtes de strontium et d'elements de transition du type K2 Ni F4","Journal of Solid State Chemistry","1970","2","","343","346","10.1016/0022-4596(70)90092-7","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008940","3.846","","3.846","","12.594","","90","","90","","90","","186.3","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Strontium neodymium iron(III) oxide","","- Fe Nd O4 Sr -","- Fe Nd O4 Sr -","- Fe2 Nd2 O8 Sr2 -","2","0.0625","","Joubert, J C; Collomb, A; Elmaleh, D; le Flem, G; Daoudi, A; Ollivier, G","Sur quelques nouveaux oxydes mixtes de strontium et d'elements de transition du type K2 Ni F4","Journal of Solid State Chemistry","1970","2","","343","346","10.1016/0022-4596(70)90092-7","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008941","6.12","","6.185","","6.21","","90","","118.8","","90","","206","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Yttrium lithium oxide - $-beta","","- Li O2 Y -","- Li O2 Y -","- Li4 O8 Y4 -","4","1","","Bertaut, F; Gondrand, M","Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O2","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1962","255","","1135","1137","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008942","6.215","","6.17","","6.3","","90","","119.22","","90","","210.8","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dysprosium lithium oxide","","- Dy Li O2 -","- Dy Li O2 -","- Dy4 Li4 O8 -","4","1","","Bertaut, F; Gondrand, M","Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O2","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1962","255","","1135","1137","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008943","5.3174","","5.3174","","13.02","","90","","90","","90","","368.1","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Strontium lanthanum lithium iron(IV) oxide (0.5/1.5/0.5/0.5/4)","","- Fe0.5 La1.5 Li0.5 O4 Sr0.5 -","- Fe0.5 La1.5 Li0.5 O4 Sr0.5 -","- Fe2 La6 Li2 O16 Sr2 -","4","0.25","","Soubeyroux, J L; Chevreau, N; Demazeau, G; Hagenmueller, P","Etude par diffraction de neutrons de la phase Sr0.5 La1.5 Li0.5 Fe0.5 O4","Journal of Solid State Chemistry","1984","51","","38","43","10.1016/0022-4596(84)90312-8","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008944","18.01399","0.008","8.535","0.003","11.584","0.005","90","","104.48","0.02","90","","1724.5","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Dibarium trilithium heptakis(catena-phosphate)","","- Ba2 Li3 O21 P7 -","- Ba2 Li3 O21 P7 -","- Ba8 Li12 O84 P28 -","4","1","","El Horr, N; Bagieu, M; Guitel, J C; Tordjman, I","Crystal data and crystal structure of barium-lithium polyphosphate Ba2 Li3 (P O3)7","Zeitschrift fuer Kristallographie (149,1979-)","1984","169","","73","82","10.1524/zkri.1984.169.1-4.73","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008945","9.82","0.008","9.973","0.006","17.87","0.01","90.14","0.02","90.01","0.01","119.46","0.04","1523.8","","","","","","","","","","","","","4","P -1","-P 1","2","","Thallium phosphate hydrate *","","- H23.5 O36.5 P8 Tl3.5 -","- H21.25 O36.5 P8 Tl3.5 -","- H42.5 O73 P16 Tl7 -","2","1","","Chiadmi, M; Vicat, J; Tran Qui, D; Boudjada, A","Structure de l'orthophosphate acide de thallium a valence mixte, (Tl3 (Tl0.5 (H3 O)0.5) H14 (P O4)8) (H2 O)4","Acta Crystallographica C (39,1983-)","1985","41","","811","814","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008946","13.753","0.005","13.818","0.005","11.865","0.005","90","","90.34","0.05","90","","2254.8","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Lithium potassium bis(catena-phosphate(V))","","- K Li O6 P2 -","- K Li O6 P2 -","- K16 Li16 O96 P32 -","16","2","","El Horr, N; Bagieu, M","Structure de la forme de haute temperature du polyphosphate de lithium et de potassium: Li K (P O3)2","Acta Crystallographica C (39,1983-)","1985","41","","1157","1159","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008947","8.646","0.002","8.646","0.002","11.864","0.005","90","","90","","90","","886.9","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Neodymium cobalt boride (2/14/1)","","- B Co14 Nd2 -","- B Co14 Nd2 -","- B4 Co56 Nd8 -","4","0.25","","Le Roux, D; Vincent, H; L'Heritier, P; Fruchart, R","Crystallographic and magnetic studies of Nd2 Co14 B and Y2 Co14 B","Journal de Physique (Paris), Colloque.","1985","6","","243","247","","","","","","","0.011","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008948","10.227","0.003","2.981","0.008","9.964","0.006","90","","90.77","0.04","90","","303.7","","","","","","","","","","","","substructure","4","I 1 2/m 1","-I 2y","12","","Barium titanium magnesium oxide (1.2/6.8/1.2/16)","Hollandite","- Ba1.2 Mg1.2 O16 Ti6.8 -","- Ba1.18 Mg1.2 O16 Ti6.8 -","- Ba1.18 Mg1.2 O16 Ti6.8 -","1","0.125","","Fanchon, E; Vicat, J; Hodeau, J L; Wolfers, P; Duc Tran Qui; Strobel, P","Commensurate ordering and domains in the Ba1.2 Ti6.8 Mg1.2 O16 hollandite.","Acta Crystallographica B (39,1983-)","1987","43","","440","448","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008949","8.88","0.001","8.88","","12.114","0.001","90","","90","","90","","955.2","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Yttrium iron boride deuteride (2/14/1/3.5)","","- B D3.47 Fe14 Y2 -","- B D3.47 Fe14 Y2 -","- B4 D13.88 Fe56 Y8 -","4","0.25","","Dalmas de Reotier, P; Fruchart, D; Pontonnier, L; Vaillant, F; Wolfers, P; Yaouanc, A; Coey, J M D; Fruchart, R; L'Heritier, P","Structural and magnetic properties of RE2 Fe14 B H (D)x; RE=Y, Ce, Er","Journal of the Less-Common Metals","1987","129","","133","144","10.1016/0022-5088(87)90040-3","","","","","","0.093","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008950","8.825","0.001","8.825","","12.069","0.001","90","","90","","90","","939.9","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Erbium iron boride deuteride (2/14/1/2.58)","","- B D2.58 Er2 Fe14 -","- B D2.58 Er2 Fe14 -","- B4 D10.32 Er8 Fe56 -","4","0.25","","Dalmas de Reotier, P; Fruchart, D; Pontonnier, L; Vaillant, F; Wolfers, P; Yaouanc, A; Coey, J M D; Fruchart, R; L'Heritier, P","Structural and magnetic properties of RE2 Fe14 B H (D)x; RE=Y, Ce, Er","Journal of the Less-Common Metals","1987","129","","133","144","10.1016/0022-5088(87)90040-3","","","","","","0.125","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008952","9.974","0.001","3.476","0.002","15.592","0.002","90","","109.4","0.1","90","","509.9","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Niobium selenide (1/3)","","- Nb Se3 -","- Nb Se3 -","- Nb6 Se18 -","6","1.5","","van Smaalen, S; de Boer, J L; Meetsma, A; Graafsma, H; Sheu, H-S; Darovskikh, A; Coppens, P; Levy, F","Determination of the structural distortions corresponding to the q1- and q2- -type modulations in niobium triselenide Nb Se3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1992","45","6","3103","3106","10.1103/PhysRevB.45.3103","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008953","17.02899","0.003","5.7415","0.0004","7.631","0.001","90","","111.221","0.008","90","","695.5","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Dilanthanum dititanosilicate","","- La2 O9 Si Ti2 -","- La2 O9 Si Ti2 -","- La8 O36 Si4 Ti8 -","4","0.5","","Benbertal, D; Mosset, A; Trombe, J C","Synthese et structure cristalline d'un nouveau silicate de lanthane et de titane","Materials Research Bulletin","1994","29","","47","54","10.1016/0025-5408(94)90104-X","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008954","8.922","","8.922","","12.243","","90","","90","","90","","974.6","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Cerium iron boride deuteride (2/14/1/3.7)","","- B Ce2 D3.7 Fe14 -","- B Ce2 D3.68 Fe14 -","- B4 Ce8 D14.72 Fe56 -","4","0.25","","Dalmas de Reotier, P; Fruchart, D; Pontonnier, L; Vaillant, F; Wolfers, P; Yaouanc, A; Coey, J M D; Fruchart, R; L'Heritier, P","Structural and magnetic properties of RE2 Fe14 B H (D)x; RE=Y, Ce, Er","Journal of the Less-Common Metals","1987","129","","133","144","10.1016/0022-5088(87)90040-3","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008955","5.9333","0.0009","5.9333","0.0009","33.116","0.007","90","","90","","120","","1009.6","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium zinc iron oxide (1/1.7/16.3/27)","","- Ba Fe16.27 O27 Zn1.73 -","- Ba Fe16.26 O27 Zn1.74 -","- Ba2 Fe32.52 O54 Zn3.48 -","2","0.0833333","","Collomb, A; Vallet-Regi, M","Le zinc dans le ferrite hexagonal de type W: Ba Zn2 Fe16 O27","Materials Research Bulletin","1987","22","","753","760","10.1016/0025-5408(87)90028-6","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008956","4.148","0.0005","4.148","","4.148","","90","","90","","90","","71.4","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Chromium(III) nitride","Carlsbergite","- Cr N -","- Cr N -","- Cr4 N4 -","4","0.0208333","","Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J","Etude cristallographique de Cr(1-x) V(x) N a basse temperature","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3010","3013","10.1107/S0567740877010164","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008957","4.139","0.0005","4.139","","4.139","","90","","90","","90","","70.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Chromium vanadium nitride (0.5/0.5/1)","","- Cr0.5 N V0.5 -","- Cr0.5 N V0.5 -","- Cr2 N4 V2 -","4","0.0208333","","Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J","Etude cristallographique de Cr(1-x) V(x) N a basse temperature","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3010","3013","10.1107/S0567740877010164","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008958","4.1465","0.0005","4.1465","","4.1465","","90","","90","","90","","71.3","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Chromium vanadium nitride (0.94/0.06/1)","","- Cr0.9375 N V0.0625 -","- Cr0.9375 N V0.0625 -","- Cr3.75 N4 V0.25 -","4","0.0208333","","Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J","Etude cristallographique de Cr(1-x) V(x) N a basse temperature","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3010","3013","10.1107/S0567740877010164","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008959","2.8831","0.0005","2.9638","","4.1342","","90","","90","","90","","35.3","","","","","","","","","","","","","3","P n m m :2","-P 2c 2bc","59","","Chromium vanadium nitride (0.94/0.06/1) - LT","","- Cr0.9375 N V0.0625 -","- Cr0.9375 N V0.0625 -","- Cr1.875 N2 V0.125 -","2","0.25","","Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J","Etude cristallographique de Cr(1-x) V(x) N a basse temperature","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3010","3013","10.1107/S0567740877010164","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008960","3.8245","","3.8245","","6.2818","","90","","90","","90","","91.9","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Iron telluride (1.13/1)","","- Fe1.125 Te -","- Fe1.125 Te -","- Fe2.25 Te2 -","2","0.125","","Fruchart, D; Convert, O; Wolfers, P; Madar, R; Senateur, J P; Fruchart, R","Structure antiferromagnetique de Fe1.125 Te accompagnee d'une deformation monoclinique","Materials Research Bulletin","1974","10","","169","174","10.1016/0025-5408(75)90151-8","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008961","3.82","0.01","3.82","","8.17","0.02","90","","90","","90","","119.2","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Zirconium arsenide telluride (1/1.43/0.46)","","- As1.43 Te0.46 Zr -","- As1.425 Te0.455 Zr1.005 -","- As2.85 Te0.91 Zr2.01 -","2","0.125","","Mosset, A; Jeannin, Y","Etude cristallographique de l'arsenotellurure de zirconium quadratique","Journal of Solid State Chemistry","1973","7","","124","131","10.1016/0022-4596(73)90144-8","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008962","11.746","","11.746","","11.746","","90","","90","","90","","1620.6","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Cobalt manganese antimonide (1/1/1)","","- Co Mn Sb -","- Co Mn Sb -","- Co32 Mn32 Sb32 -","32","0.166667","","Senateur, J P; Rouault, A; Fruchart, R","Structure and alloy chemistry of metastable Ge Sb","Journal of Solid State Chemistry","1972","5","","226","228","10.1016/0022-4596(72)90032-1","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008963","5.74","0.03","5.74","0.03","10.96","0.05","90","","90","","90","","361.1","","","","","","","","","","","","from Tacama, Bolivia","4","I -4 2 m","I -4 2","121","","Disilver iron tetrathiostannate","Hocartite","- Ag2 Fe S4 Sn -","- Ag2 Fe S4 Sn -","- Ag4 Fe2 S8 Sn2 -","2","0.125","","Caye, R; Laurent, Y; Picot, P; Pierrot, R; Levy, C","La hocartite, Ag2 Sn Fe S4, une nouvelle espece minerale","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1968","91","","383","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008964","6.54","0.001","6.54","0.001","3.631","0.002","90","","90","","120","","134.5","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Niobium manganese germanide (1/1/1)","","- Ge Mn Nb -","- Ge Mn Nb -","- Ge3 Mn3 Nb3 -","3","0.25","","Roy-Montreuil, J; Deyris, B; Fruchart, R; Michel, A","Etude sur la structure cristallographique du compose Nb Mn Ge","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","266","","615","617","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008965","5.585","","5.585","","5.585","","90","","90","","90","","174.2","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","Platinum oxide (3/4)","","- O4 Pt3 -","- O4 Pt3 -","- O8 Pt6 -","2","0.0416667","","Muller, Olaf; Roy, Rustum","Formation and stability of the platinum and rhodium oxides at high oxygen pressures and the structures of Pt~3~O~4~, β-PtO~2~ and RhO~2~","Journal of the Less-Common Metals","1968","16","2","129","146","10.1016/0022-5088(68)90070-2","","","","","","0.152","","","","","","","","","","","","","","","has coordinates","200135","2020-10-21","18:00:00",""
"1008966","9.9","0.01","9.9","","9.9","","90","","90","","90","","970.3","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Cobalt dichromium sulfide","","- Co Cr2 S4 -","- Co Cr2 S4 -","- Co8 Cr16 S32 -","8","0.0416667","","Colominas-Broquetas, C; Van Qui, V; Bertaut, E F","Structure magnetique de Co Cr2 S4","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","109","110","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008967","3.874","","3.874","","6.332","","90","","90","","120","","82.3","","","","","","","","","","","","","3","P -3","-P 3","147","","Erbium copper(I) sulfide (.67/2/2)","","- Cu2 Er0.667 S2 -","- Cu2 Er0.6667 S2 -","- Cu2 Er0.6667 S2 -","1","0.166667","","Ballestracci, R; Bertaut, E F","Etude cristallographique de nouveaux sulfures de terres rares et de cuivre (I)","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1965","88","","575","579","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008968","5.881","","5.881","","5.881","","90","","90","","90","","203.4","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Sodium lanthanum sulfide","","- La Na S2 -","- La Na S2 -","- La2 Na2 S4 -","2","0.0104167","","Ballestracci, R; Bertaut, E F","Etude crystallographique de sulfures de terres rares et de sodium","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1964","87","","512","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008969","5.832","","5.832","","5.832","","90","","90","","90","","198.4","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Sodium cerium sulfide","","- Ce Na S2 -","- Ce Na S2 -","- Ce2 Na2 S4 -","2","0.0104167","","Ballestracci, R; Bertaut, E F","Etude crystallographique de sulfures de terres rares et de sodium","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1964","87","","512","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008970","5.777","","5.777","","5.777","","90","","90","","90","","192.8","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Sodium praseodymium sulfide","","- Na Pr S2 -","- Na Pr S2 -","- Na2 Pr2 S4 -","2","0.0104167","","Ballestracci, R; Bertaut, E F","Etude crystallographique de sulfures de terres rares et de sodium","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1964","87","","512","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008971","5.803","","5.803","","5.803","","90","","90","","90","","195.4","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Sodium neodymium sulfide","","- Na Nd S2 -","- Na Nd S2 -","- Na2 Nd2 S4 -","2","0.0104167","","Ballestracci, R; Bertaut, E F","Etude crystallographique de sulfures de terres rares et de sodium","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1964","87","","512","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008972","6.329","0.002","8.743","0.002","13.004","0.004","105.59","0.02","90.47","0.03","105.13","0.02","666.7","","","","","","","","","","","","","4","P -1","-P 1","2","","Bis(aquacerium) dioxalate carbonate 2.5-hydrate","","- C5 H9 Ce2 O15.5 -","- C5 H9 Ce2 O15.5 -","- C10 H18 Ce4 O31 -","2","1","","Romero, S; Mosset, A; Trombe, J C","Two new families of lanthanide mixed-ligand complexes, oxalate- carbonate and oxalate-formate: synthesis and and structure of (Ce (H2 O))2 (C2 O4)2 (C O3) * 2.5 H2 O","Journal of Solid State Chemistry","1996","127","","256","266","10.1006/jssc.1996.0382","","","","","","0.0186","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1008973","7.322","0.001","10.825","0.002","6.738","0.001","90","","90","","90","","534.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cerium oxalate formate","","- C3 H Ce O6 -","- C3 H Ce O6 -","- C12 H4 Ce4 O24 -","4","0.5","","Romero, S; Mosset, A; Trombe, J C","Two new families of lanthanide mixed-ligand complexes, oxalate- carbonate and oxalate-formate: synthesis and and structure of (Ce (H2 O))2 (C2 O4)2 (C O3) * 2.5 H2 O","Journal of Solid State Chemistry","1996","127","","256","266","10.1006/jssc.1996.0382","","","","","","0.0189","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1008974","5.7114","0.0003","5.7114","","5.7114","","90","","90","","90","","186.3","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Americium phosphide","","- Am P -","- Am P -","- Am4 P4 -","4","0.0208333","","Charvillat, J P; Benedict, U; Damien, D; Muller, W","Preparation et pameteres de maille de quelques pnictures d'americium et de curium","Radiochemical and Radioanalytical Letters","1975","20","","371","381","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008975","6.24","0.002","6.24","","6.24","","90","","90","","90","","243","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Americium antimonide","","- Am Sb -","- Am Sb -","- Am4 Sb4 -","4","0.0208333","","Charvillat, J P; Benedict, U; Damien, D; Muller, W","Preparation et pameteres de maille de quelques pnictures d'americium et de curium","Radiochemical and Radioanalytical Letters","1975","20","","371","381","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008976","5.901","0.006","5.901","","5.901","","90","","90","","90","","205.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Curium arsenide","","- As Cm -","- As Cm -","- As4 Cm4 -","4","0.0208333","","Charvillat, J P; Benedict, U; Damien, D; Muller, W","Curium-248 monopnictides and monochalcogenides","Radiochemical and Radioanalytical Letters","1975","20","","371","381","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008977","5.918","0.001","3.746","0.001","7.029","0.001","90","","90","","90","","155.8","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cobalt rhodium arsenide (1/1/1)","","- As Co Rh -","- As Co Rh -","- As4 Co4 Rh4 -","4","0.5","","Roy-Montreuil, J; Chaudouet, P; Rouault, A; Boursier, D; Senateur, J P; Fruchart, R","Analyse de l'ordre dans les arseniures M M' As","Annales de Chimie (Paris) (Vol=Year)","1984","9","","579","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008978","6.102","0.002","6.102","","3.654","0.001","90","","90","","120","","117.8","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Chromium nickel arsenide (1/1/1)","","- As Cr Ni -","- As Cr Ni -","- As3 Cr3 Ni3 -","3","0.25","","Nylund, M A; Roger, A; Senateur, J P; Fruchart, R","Evolution structurale des phosphures, arseniures et arseniophophures M2 P, M2 As et M2 (P1-x Asx)","Journal of Solid State Chemistry","1972","4","","115","122","10.1016/0022-4596(72)90139-9","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008979","6.51","0.001","6.51","","3.685","0.001","90","","90","","120","","135.2","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Chromium palladium arsenide (1/1/1)","","- As Cr Pd -","- As Cr Pd -","- As3 Cr3 Pd3 -","3","0.25","","Deyris, B; Roy-Montreuil, J; Michel, A; Fruchart, R; Senateur, J P; Boursier, D","Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d)","Annales de Chimie (Paris) (Vol=Year)","1979","4","","411","417","","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008980","6.384","0.001","6.384","","3.718","0.001","90","","90","","120","","131.2","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Chromium rhodium arsenide (1/1/1)","","- As Cr Rh -","- As Cr Rh -","- As3 Cr3 Rh3 -","3","0.25","","Deyris, B; Roy-Montreuil, J; Michel, A; Fruchart, R; Senateur, J P; Boursier, D","Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d)","Annales de Chimie (Paris) (Vol=Year)","1979","4","","411","417","","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008981","5.789","","3.76","","6.474","","90","","90","","90","","140.9","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Chromium arsenide antimonide (1/0.5/0.5) - LT","","- As0.5 Cr Sb0.5 -","- As0.5 Cr Sb0.5 -","- As2 Cr4 Sb2 -","4","0.5","","Kallel, A; Boller, H; Bertaut, E F","Helimagnetism in Mn P-type compounds: Mn P, Fe P, Cr As and Cr A1-x Sbx","Journal of Physics and Chemistry of Solids","1974","35","","1139","1152","10.1016/S0022-3697(74)80132-0","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008982","5.745","","3.699","","6.406","","90","","90","","90","","136.1","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Chromium arsenide antimonide (1/0.67/0.33)","","- As0.67 Cr Sb0.33 -","- As0.67 Cr Sb0.33 -","- As2.68 Cr4 Sb1.32 -","4","0.5","","Kallel, A; Boller, H; Bertaut, E F","Helimagnetism in Mn P-type compounds: Mn P, Fe P, Cr As and Cr A1-x Sbx","Journal of Physics and Chemistry of Solids","1974","35","","1139","1152","10.1016/S0022-3697(74)80132-0","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008983","5.735","","3.659","","6.355","","90","","90","","90","","133.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Chromium arsenide antimonide (1/0.72/0.28)","","- As0.72 Cr Sb0.28 -","- As0.72 Cr Sb0.28 -","- As2.88 Cr4 Sb1.12 -","4","0.5","","Kallel, A; Boller, H; Bertaut, E F","Helimagnetism in Mn P-type compounds: Mn P, Fe P, Cr As and Cr A1-x Sbx","Journal of Physics and Chemistry of Solids","1974","35","","1139","1152","10.1016/S0022-3697(74)80132-0","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008984","5.769","","5.769","","5.769","","90","","90","","90","","192","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Holmium arsenide (1/1)","","- As Ho -","- As Ho -","- As4 Ho4 -","4","0.0208333","","Levy, F","Effets magnetostrictifs spontanes de quelques composes de terres rares. II Les combinaisons Ln X","Physik der Kondensierten Materie","1969","10","","85","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008986","6.482","0.001","6.482","","3.714","0.001","90","","90","","120","","135.1","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Manganese rhodium arsenide (1/1/1)","","- As Mn Rh -","- As Mn Rh -","- As3 Mn3 Rh3 -","3","0.25","","Roy-Montreuil, J; Chaudouet, P; Rouault, A; Boursier, D; Senateur, J P; Fruchart, R","Analyse de l'ordre dans les arseniures MM'As","Annales de Chimie (Paris) (Vol=Year)","1984","9","","579","586","","","","","","","0.097","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008987","6.5155","0.001","6.5155","","3.614","0.001","90","","90","","120","","132.9","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Manganese ruthenium arsenide (1/1/1)","","- As Mn Ru -","- As Mn Ru -","- As3 Mn3 Ru3 -","3","0.25","","Roy-Montreuil, J; Deyris, B; Michel, A; Fruchart, R; Senateur, J P; Boursier, D","Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM' P et MM' AS","Annales de Chimie (Paris) (Vol=Year)","1979","4","","411","417","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008988","3.722","0.003","3.722","","6.483","0.002","90","","90","","90","","89.8","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Manganese vanadium arsenide (1/1/1)","","- As Mn V -","- As Mn V -","- As2 Mn2 V2 -","2","0.125","","Montreuil, R; Deyris, B; Michel, A; Rouault, A; l'Heritier, P; Nylund, A; Senateur, J P; Fruchart, D","Nouveaux composes ternaires MM'P et MM'As. Interactions metalliques et structures","Materials Research Bulletin","1972","7","","813","826","10.1016/0025-5408(72)90131-6","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008989","3.565","0.001","3.565","","6.161","0.001","90","","90","","90","","78.3","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Nickel rhodium arsenide (1/1/1)","","- As Ni Rh -","- As Ni Rh -","- As2 Ni2 Rh2 -","2","0.125","","Roy-Montreuil, J; Chaudouet, P; Rouault, A; Boursier, D; Senateur, J O; Fruchart, R","Analyse de l'ordre ddans les arseniures MM'As","Annales de Chimie (Paris) (Vol=Year)","1984","9","","579","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008990","3.93","0.005","3.93","","8.137","0.005","90","","90","","90","","125.7","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Neptunium arsenide (1/2)","","- As2 Np -","- As2 Np -","- As4 Np2 -","2","0.125","","Delapalme, A; Mulak, J; Blaise, A; Fournier, J M","Np As2: Magnetic form factors and tentative crystal field model","Journal of Magnetism and Magnetic Materials","1982","30","","117","121","10.1016/0304-8853(82)90017-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008991","6.334","0.001","3.816","0.001","7.388","0.001","90","","90","","90","","178.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rhodium titanium arsenide (1/1/1)","","- As Rh Ti -","- As Rh Ti -","- As4 Rh4 Ti4 -","4","0.5","","Roy-Montreuil, J; Chadouet, P; Rouault, A; Boursier, D; Senateur, J P; Fruchart, R","Analyse de l'ordre dans les arseniures MM'As","Annales de Chimie (Paris) (Vol=Year)","1984","9","","589","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008992","5.824","","5.824","","5.824","","90","","90","","90","","197.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Terbium arsenide (1/1)","","- As Tb -","- As Tb -","- As4 Tb4 -","4","0.0208333","","Levy, F","Effets magnetostrictifs spontanes de quelques composes de terres rares. II. Les combinaisons LnX","Physik der Kondensierten Materie","1969","10","","85","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008994","8.744","0.0005","8.744","","12.072","0.001","90","","90","","90","","923","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Cerium iron boride (2/14/1)","","- B Ce2 Fe14 -","- B Ce2 Fe14 -","- B4 Ce8 Fe56 -","4","0.25","","Dalmas de Reotier, P; Fruchart, D; Pontonnier, L; Vaillant, F; Wolfers, P; Yaouanc, A; Coey, J M D; Fruchart, R; L'Heritier, P","Structural and magnetic properties of RE2 Fe14 B H(D)x; RE= Y, Ce, Er","Journal of the Less-Common Metals","1987","129","","133","144","10.1016/0022-5088(87)90040-3","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008995","8.922","0.001","8.922","","12.243","0.002","90","","90","","90","","974.6","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Cerium iron boride hydride (2/14/1/3.7)","","- B Ce2 Fe14 H3.7 -","- B Ce2 Fe14 H3.68 -","- B4 Ce8 Fe56 H14.72 -","4","0.25","","Dalmas de Reotier, P; Fruchart, D; Pontonnier, L; Vaillant, F; Wolfers, P; Yaouanc, A; Coey, J M D; Fruchart, R; L'Heritier, P","Structural and magnetic properties of RE2 Fe14 B H(D)x; RE=Y,Ce,Er","Journal of the Less-Common Metals","1987","129","","133","144","10.1016/0022-5088(87)90040-3","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008996","8.7495","","8.7495","","11.9508","","90","","90","","90","","914.9","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Erbium iron boride (2/14/1)","","- B Er2 Fe14 -","- B Er2 Fe14 -","- B4 Er8 Fe56 -","4","0.25","","Dalmas de Reotier, P; Fruchart, D; Pontonnier, L; Vaillant, F; Wolfers, P; Yaouanc, A; Coey, J M D; Fruchart, R; L'Heritier, P","Structural and magnetic properties of RE2 Fe14 B H (D)x; RE=Y,Ce,Er","Journal of the Less-Common Metals","1987","129","","133","144","10.1016/0022-5088(87)90040-3","","","","","","0.115","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008997","8.758","0.001","8.758","","12.005","0.001","90","","90","","90","","920.8","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Yttrium iron boride (2/14/1)","","- B Fe14 Y2 -","- B Fe14 Y2 -","- B4 Fe56 Y8 -","4","0.25","","Dalmas de Reotier, P; Fruchart, D; Pontonnier, L; Vaillant, F; Wolfers, P; Yaouanc, A; Coey, J M D; Fruchart, R; L'Heritier, P","Structural and magnetic properties of RE2 Fe14 B H(D)x; RE= Y, Ce, Er","Journal of the Less-Common Metals","1987","129","","133","144","10.1016/0022-5088(87)90040-3","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008999","5.221","0.001","6.631","0.001","4.408","0.001","90","","90","","90","","152.6","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Cobat boride (3/1)","","- B Co3 -","- B Co3 -","- B4 Co12 -","4","0.5","","Fruchart, R; Michel, A","Sur le borures de nickel, de cobalt et de fer isomorphes de la cementite","Bulletin de la Societe Chimique de France (Vol=Year)","1959","1959","","422","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009000","4.994","0.0001","4.994","0.0001","11.3871","0.0004","90","","90","","120","","245.9","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1009001","4.9942","0.0001","4.9942","0.0001","11.3816","0.0013","90","","90","","120","","245.8","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009002","4.997","0.001","4.997","0.001","11.379","0.003","90","","90","","120","","246.1","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009003","5.007","0.001","5.007","0.001","11.391","0.003","90","","90","","120","","247.3","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009004","5.011","0.001","5.011","0.001","11.388","0.003","90","","90","","120","","247.6","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009005","5.017","0.001","5.017","0.001","11.401","0.003","90","","90","","120","","248.5","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009006","5.025","0.001","5.025","0.001","11.408","0.003","90","","90","","120","","249.5","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009007","5.033","0.001","5.033","0.001","11.411","0.003","90","","90","","120","","250.3","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009008","5.04","0.001","5.04","0.001","11.408","0.003","90","","90","","120","","251","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009009","5.051","0.001","5.051","0.001","11.421","0.003","90","","90","","120","","252.3","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009010","5.059","0.001","5.059","0.001","11.424","0.003","90","","90","","120","","253.2","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Gallium arsenate(V)","","- As Ga O4 -","- As Ga O4 -","- As3 Ga3 O12 -","3","0.5","","Philippot, E; Armand, P; Yot, P; Cambon, O; Goiffon, A; McIntyre, G J; Bordet, P","Neutron and x-ray structure refinements between 15 and 1083 K of piezoelectric gallium arsenate, Ga As O4: temperature and pressure behavior compared with other $-alpha-quartz materials","Journal of Solid State Chemistry","1999","146","","114","123","10.1006/jssc.1999.8316","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009011","4.1549","0.0001","4.1549","0.0001","21.82729","0.0006","90","","90","","90","","376.8","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Strontium potassium dibismuthate (1.6/1.4/1)","","- Bi2 K1.4 O7 Sr1.6 -","- Bi2 K1.4 O7 Sr1.6 -","- Bi4 K2.8 O14 Sr3.2 -","2","0.0625","","Pshirkov, J S; Kazakov, S M; Bougerol-Chaillout, C; Bordet, P; Capponi, J J; Putilin, S N; Antipov, E V","A new layered bismuthate (Sr,K)3 Bi2 O7: synthesis and crystal structure","Journal of Solid State Chemistry","1999","144","","405","408","10.1006/jssc.1999.8181","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009012","4.428","","4.779","","9.078","","90","","90","","90","","192.1","","","","","","","","","","","","","2","F m m m","-F 2 2","69","","Titanium silicide (1/2) - pseudo-C11b","","- Si2 Ti -","- Si2 Ti -","- Si8 Ti4 -","4","0.125","","Smith, P L; Ortega, R; Brennan, B","Pseudo-C11b phase formation of titanium disilicide during the C49 to C54 transition","Materials Research Society Symposia Proceedings","1998","481","","605","610","10.1557/PROC-481-605","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009013","10.6056","0.0003","10.6056","0.0003","10.6056","0.0003","90","","90","","90","","1192.9","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Yttrium oxide","","- O3 Y2 -","- O3 Y2 -","- O48 Y32 -","16","0.333333","","Baldinozzi, G.; Berar, J.-F.; Calvarin, G.","Rietveld refinement of two-phase Zr-doped Y~2~O~3~","Materials Science Forum","1998","","","680","685","10.4028/www.scientific.net/MSF.278-281.680","","","","","","0.011","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1009014","10.5961","0.0003","10.5961","0.0003","10.5961","0.0003","90","","90","","90","","1189.7","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Yttrium oxide","","- O3 Y2 -","- O3 Y2 -","- O48 Y32 -","16","0.333333","","Baldinozzi, G.; Berar, J.-F.; Calvarin, G.","Rietveld refinement of two-phase Zr-doped Y~2~O~3~","Materials Science Forum","1998","","","680","685","10.4028/www.scientific.net/MSF.278-281.680","","","","","","0.011","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1009015","10.5957","0.0003","10.5957","0.0003","10.5957","0.0003","90","","90","","90","","1189.6","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Yttrium oxide","","- O3 Y2 -","- O3 Y2 -","- O48 Y32 -","16","0.333333","","Baldinozzi, G.; Berar, J.-F.; Calvarin, G.","Rietveld refinement of two-phase Zr-doped Y~2~O~3~","Materials Science Forum","1998","","","680","685","10.4028/www.scientific.net/MSF.278-281.680","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1009016","10.5392","0.0011","10.5392","0.0011","10.5392","0.0011","90","","90","","90","","1170.6","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Yttrium zirconium oxide (1/1/3)","","- O3 Y Zr -","- O3 Y1.0005 Zr0.9995 -","- O48 Y16.008 Zr15.992 -","16","0.333333","","Baldinozzi, G.; Berar, J.-F.; Calvarin, G.","Rietveld refinement of two-phase Zr-doped Y~2~O~3~","Materials Science Forum","1998","","","680","685","10.4028/www.scientific.net/MSF.278-281.680","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1009017","10.5818","0.0007","10.5818","0.0007","10.5818","0.0007","90","","90","","90","","1184.9","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Yttrium oxide","","- O3 Y2 -","- O3 Y2 -","- O48 Y32 -","16","0.333333","","Baldinozzi, G.; Berar, J.-F.; Calvarin, G.","Rietveld refinement of two-phase Zr-doped Y~2~O~3~","Materials Science Forum","1998","","","680","685","10.4028/www.scientific.net/MSF.278-281.680","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","282072","2023-03-26","19:37:37",""
"1009018","10.515","0.002","10.515","0.002","10.515","0.002","90","","90","","90","","1162.6","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Yttrium zirconium oxide (1/1/3)","","- O3 Y Zr -","- O3 Y1.0005 Zr0.9995 -","- O48 Y16.008 Zr15.992 -","16","0.333333","","Baldinozzi, G.; Berar, J.-F.; Calvarin, G.","Rietveld refinement of two-phase Zr-doped Y~2~O~3~","Materials Science Forum","1998","","","680","685","10.4028/www.scientific.net/MSF.278-281.680","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1009019","7.01","","12.142","","4.526","","90","","90","","90","","385.2","","","","","","","","","","","","","2","P m c n","-P 2n 2a","62","","Chromium carbide (7/3)","","- C3 Cr7 -","- C3 Cr7 -","- C12 Cr28 -","4","0.5","","Rouault, M A; Herpin, P; Fruchart, M R","Etude cristallographique des carbures Cr7 C3 et Mn7 C3","Annales de Chimie (Paris) (Vol=Year)","1970","5","","461","470","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1009020","5.45","","5.45","","4.45","","90","","90","","120","","114.5","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Manganese rhodium nitride (3/1/0.2)","","- Mn3 N0.2 Rh -","- Mn3 N0.2 Rh -","- Mn6 N0.4 Rh2 -","2","0.0833333","","Kren, E; Kadar, G; Barberon, M; Fruchart, R","Neutron diffraction study of the hexagonal nitrides Mn3 Rh N0.2 and Mn3 Pt N0.25","International Journal of Magnetism","1971","1","","341","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009021","5.5","","5.5","","4.5","","90","","90","","120","","117.9","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Manganese platinum nitride (3/1/0.25)","","- Mn3 N0.25 Pt -","- Mn3 N0.25 Pt -","- Mn6 N0.5 Pt2 -","2","0.0833333","","Kren, E; Kadar, G; Barberon, M; Fruchart, R","Neutron diffraction study of the hexagonal nitrides Mn3 Rh N0.2 and Mn3 Pt N0.25","International Journal of Magnetism","1971","1","","341","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009025","3.999","0.001","3.999","0.001","4.12","0.001","90","","90","","90","","65.9","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","Lead hafnium titanium oxide (1/0.4/0.6/3)","","- Hf0.4 O3 Pb Ti0.6 -","- Hf0.42 O3 Pb Ti0.58 -","- Hf0.42 O3 Pb Ti0.58 -","1","0.125","","Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M","Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3","Acta Crystallographica B (39,1983-)","1999","55","","8","16","","","","","","","0.087","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009026","4.012","0.001","4.012","0.001","4.1","0.001","90","","90","","90","","66","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","Lead hafnium titanium oxide (1/0.4/0.6/3)","","- Hf0.4 O3 Pb Ti0.6 -","- Hf0.42 O3 Pb Ti0.58 -","- Hf0.42 O3 Pb Ti0.58 -","1","0.125","","Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M","Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3","Acta Crystallographica B (39,1983-)","1999","55","","8","16","","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009027","4.046","0.001","4.046","0.001","4.046","0.001","90","","90","","90","","66.2","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Lead hafnium titanium oxide (1/0.4/0.6/3)","","- Hf0.4 O3 Pb Ti0.6 -","- Hf0.42 O3 Pb Ti0.582 -","- Hf0.42 O3 Pb Ti0.582 -","1","0.0208333","","Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M","Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3","Acta Crystallographica B (39,1983-)","1999","55","","8","16","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009028","12.319","0.005","6.374","0.002","11.048","0.004","90","","90","","90","","867.5","","","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","Lithiumozonide - ammonia(1/5)","","- H15 Li N5 O3 -","- H15 Li N5 O3 -","- H60 Li4 N20 O12 -","4","1","","Klein, W M; Jansen, M","Darstellung und Kristallstruktur von LithiumozonidAmmoniakat (1/5) (Li O3) 5(N H3)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1999","54","","1345","1349","","","","","","","0.0986","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009029","5.67","","5.67","","6.81","","90","","90","","90","","218.9","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Potassium hydrogendifluoride - $-alpha","","- F2 H K -","- F2 H K -","- F8 H4 K4 -","4","0.125","","Peterson, S W; Levy, H A","A single crystal neutron diffraction determination of the hydrogen position in potassium bifluoride","Journal of Chemical Physics","1952","20","","704","707","10.1063/1.1700520","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009030","7.02","","5.44","","5.24","","90","","90.1","","90","","200.1","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Disodium zinc silicate","","- Na2 O4 Si Zn -","- Na2 O4 Si Zn -","- Na4 O8 Si2 Zn2 -","2","1","","Joubert-Bettan, C A; Lachenal, R; Bertaut, E F; Parthe, E","The crystal structures of Na2 Zn Si O4, Na2 Zn Ge O4 and Na2 Mg Ge O4","Journal of Solid State Chemistry","1969","1","","1","5","10.1016/0022-4596(69)90001-2","","","","","","0.15","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009031","3.03","0.01","3.03","0.01","5.33","0.02","90","","90","","90","","48.9","","","","","","","","","","","","synthetic","2","P 42/m m c (a,b+1/2,c)","-P 4c 2 (x,y+1/2,z)","131","","Palladium oxide","Palladinite","- O Pd -","- O Pd -","- O2 Pd2 -","2","","","Waser, J.; Levy, H. A.; Peterson, S. W.","The structure of PdO Locality: synthetic","Acta Crystallographica","1953","6","","661","663","10.1107/S0365110X53001800","","","","","","","","","","","","","","","","","","","","","has coordinates","287588","2023-11-14","18:05:45",""
"1009032","4.1132","","4.1132","","4.1132","","90","","90","","90","","69.6","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Thorium boride (1/6)","","- B6 Th -","- B6 Th -","- B6 Th -","1","0.0208333","","Blum, P; Bertaut, F","Contribution a l'etude des borures a teneur elevee en bore","Acta Crystallographica (1,1948-23,1967)","1954","7","","81","86","10.1107/S0365110X54000151","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009033","5.64","","14.68","","5.39","","90","","90","","90","","446.3","","","","","","","","","","","","synthetic","3","P c m n","-P 2n 2ac","62","","Diiron(III) dicalcium oxide","Srebrodolskite","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Bertaut, E F; Blum, P; Sagnieres, A","Structure du ferrite bicalcique et de la brownmillerite","Acta Crystallographica (1,1948-23,1967)","1959","12","","149","159","10.1107/S0365110X59000433","","","","","","0.147","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009034","5.672","","7.136","","5.377","","90","","90","","90","","217.6","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Sodium iron(III) oxide - $-beta","","- Fe Na O2 -","- Fe Na O2 -","- Fe4 Na4 O8 -","4","1","","Bertaut, F; Blum, P","Structure d'une nouvelle variete de ferrite de sodium (Fe Na O2)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1954","239","","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009035","5.46","","5.46","","10.64","","90","","90","","90","","317.2","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Chromium bromide (5/3)","","- B3 Cr5 -","- B3 Cr5 -","- B12 Cr20 -","4","0.125","","Bertaut, F; Blum, P","Etude des borures de chrome.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1953","236","","1055","1056","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009036","10.66","","9.2","","3.01","","90","","90","","90","","295.2","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Calcium divanadium(III) oxide","","- Ca O4 V2 -","- Ca O4 V2 -","- Ca4 O16 V8 -","4","0.5","","Bertaut, E F; Blum, P; Magnano, G","Structure des vanadite, chromite et ferrite monocalciques","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1956","79","","536","561","","","","","","","0.15","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009037","10.009","0.001","3.4805","0.0006","15.629","0.002","90","","109.47","0.01","90","","513.3","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Niobium selenide (1/3)","","- Nb Se3 -","- Nb Se3 -","- Nb6 Se18 -","6","1.5","","Hodeau, J L; Marezio, M; Roucau, C; Ayroles, R; Meerschaut, A; Rouxel, J; Monceau, P","Charge density waves in Nb Se3 at 145 K: Crystal structures x-ray and electron diffraction studies","Journal of Physics C","1978","11","","4117","4134","10.1088/0022-3719/11/20/009","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009038","5.889","","5.889","","23.18199","","90","","90","","120","","696.2","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Barium dodecairon(III) oxide","","- Ba Fe12 O19 -","- Ba Fe12 O3.17 -","- Ba2 Fe24 O6.34 -","2","0.0833333","","Bertaut, F; Deschamps, A; Pauthenet, R","Etude de la substitution de Fe par Al, Ga et Cr dans l'hexaferrite de baryum, Ba O, (Fe2 O3)6","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1958","246","","2594","2597","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009039","8.984","0.002","7.918","0.002","10.139","0.008","90","","90","","90","","721.2","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Cobalt hydrogenphosphate(III) hydrate","","- Co H3 O4 P -","- Co H5 O4 P -","- Co8 H40 O32 P8 -","8","2","","Sapina, F; Gomez-Romero, P; Marcos, M D; Amoros, P; Ibanez, R; Beltran, D; Navarro, R; Rillo, C; Lera, F","Two new cobalt(II) compounds exhibiting weak ferromagnetism: magnetic susceptibility study of Co H P O3 . H2 O and Co Cl (H2 P O2) . (H2 O) and crystal structure of Co H P O3 . H2 O","European Journal of Solid State Inorganic Chemistry","1989","26","","603","617","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009040","3.913","","3.913","","3.913","","90","","90","","90","","59.9","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Iridium manganese nitride (1/3/1)","","- Ir Mn3 N -","- Ir Mn3 N -","- Ir Mn3 N -","1","0.0208333","","Nardin, M; Lorthioir, C; Barberon, M M; Madar, R; Fruchart, E; Fruchart, R","Etude de cinq nouveaus nitrures M Cr3 N de type perovskite","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1972","274","","2168","2171","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009041","16.27899","0.003","16.27899","","16.27899","","90","","90","","90","","4314","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Potassium tin antimonide (8/1/4)","","- K8 Sb4 Sn -","- K8 Sb4 Sn -","- K64 Sb32 Sn8 -","8","0.0416667","","Eisenmann, B; Klein, J","Na5 Sn Sb3 and K8 Sn Sb4, zwei neue Zintlphasennn mit tetraedrischen Sn Sb4-Baueinheiten","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1988","43","","1156","1160","","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1009042","6.105","","6.105","","6.105","","90","","90","","90","","227.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Sodium lanthanum selenide","","- La Na Se2 -","- La Na Se2 -","- La2 Na2 Se4 -","2","0.0104167","","Ballestracci, R; Bertaut, E-F","Etude cristallographique de nouvaux seleniures des terres rares et de sodium","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1965","88","","136","138","","","","","","","","","","","","","","","","","","","","","","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",""
"1009044","3.886","","3.886","","3.886","","90","","90","","90","","58.7","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Manganese nickel nitride (3/1/1)","","- Mn3 N Ni -","- Mn3 N Ni -","- Mn3 N Ni -","1","0.0208333","","Fruchart, D; Bertaut, E F; Madar, R; Lorthioir, G; Fruchart, R","Structure magnetique et rotation de spin de Mn3 Ni N","Solid State Communications","1971","9","","1793","1797","10.1016/0038-1098(71)90092-5","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009045","3.979","","3.979","","3.979","","90","","90","","90","","63","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Manganese palladium nitride (3/1/1)","","- Mn3 N Pd -","- Mn3 N Pd -","- Mn3 N Pd -","1","0.0208333","","Nardin, M; Lorthioir, G; Barberon, M M; Madar, R; Fruchart, E; Fruchart, R","Etude de cinq nouveaux nitrures M Cr3 N de type perovskite","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1972","274","","2168","2171","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009046","3.972","","3.972","","3.972","","90","","90","","90","","62.7","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Manganese platinum nitride (3/1/1)","","- Mn3 N Pt -","- Mn3 N Pt -","- Mn3 N Pt -","1","0.0208333","","Nardin, M; Lorthioir, G; Barberon, M M; Madar, R; Fruchart, E; Fruchart, R","Etude de cinq nouveaux nitrures M Cr3 N de type perovskite","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1972","274","","2168","2171","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009047","5.496","0.001","5.496","","4.5","0.001","90","","90","","120","","117.7","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Manganese platinum nitride (3/1/0.25)","","- Mn3 N0.25 Pt -","- Mn3 N0.25 Pt -","- Mn6 N0.5 Pt2 -","2","0.0833333","","Kren, E; Barberon, M M; Fruchart, R","Neutron diffraction study of the hexagonal nitrides Mn3 Rh N0.2 and Mn3 Pt N0.25","International Journal of Magnetism","1971","1","","341","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009048","3.938","","3.938","","3.938","","90","","90","","90","","61.1","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Manganese rhodium nitride (3/1/1)","","- Mn3 N Rh -","- Mn3 N Rh -","- Mn3 N Rh -","1","0.0208333","","Nardin, M; Lorthioir, G; Barberon, M M; Madar, R; Fruchart, E; Fruchart, R","Etude de cinq nouveaux nitrures M Cr3 N de type perovskite","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1972","274","","2168","2171","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009049","5.45","0.01","5.45","","4.45","0.01","90","","90","","120","","114.5","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Manganese rhodium nitride (3/1/0.2)","","- Mn3 N0.2 Rh -","- Mn3 N0.2 Rh -","- Mn6 N0.4 Rh2 -","2","0.0833333","","Kren, E; Barberon, M M; Fruchart, R","Neutron diffraction study of the hexagonal nitrides Mn3 Rh N0.2 and Mn3 Pt N0.25","International Journal of Magnetism","1971","1","","341","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009050","4.06","","4.06","","4.06","","90","","90","","90","","66.9","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Manganese tin nitride (3/1/1)","","- Mn3 N Sn -","- Mn3 N Sn -","- Mn3 N Sn -","1","0.0208333","","Nardin, M; Lorthioir, G; Barberon, M M; Madar, R; Fruchart, E; Fruchart, R","Etude de cinq nouveaux nitrures M Cr3 N de type perovskite","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1972","274","","2168","2171","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009051","3.902","","3.902","","3.902","","90","","90","","90","","59.4","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Manganese zinc nitride (3/1/1)","","- Mn3 N Zn -","- Mn3 N Zn -","- Mn3 N Zn -","1","0.0208333","","Fruchart, D; Bertaut, E F; Madar, R; Fruchart, R","Diffraction neutronique de Mn3 Zn N","Journal de Physique (Paris), Colloque.","1971","32","1","876","877","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009052","4.268","","4.268","","4.268","","90","","90","","90","","77.7","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Barium boride (1/6)","","- B6 Ba -","- B6 Ba -","- B6 Ba -","1","0.0208333","","Bertaut, F; Blum, P","Etude de hexaborures et de la substition alcaline","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1952","234","","2621","2623","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009053","4.112","","4.112","","4.112","","90","","90","","90","","69.5","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Gadolinium boride (1/6)","","- B6 Gd -","- B6 Gd -","- B6 Gd -","1","0.0208333","","Bertaut, F; Blum, P","Etude de hexaborures et de la substition alcaline","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1952","234","","2621","2623","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009054","4.113","","4.113","","4.113","","90","","90","","90","","69.6","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Yttrium boride (1/6)","","- B6 Y -","- B6 Y -","- B6 Y -","1","0.0208333","","Bertaut, F; Blum, P","Etude de hexaborures et de la substition alcaline","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1952","234","","2621","2623","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009055","5.185","","5.185","","4.316","","90","","90","","90","","116","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Chromium bromide (2/1)","","- B Cr2 -","- B Cr2 -","- B4 Cr8 -","4","0.125","","Bertaut, F; Blum, P","Etude des borures de chrome.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1953","236","","1055","1056","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009056","5.745","0.001","5.745","","5.622","0.001","90","","90","","120","","160.7","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Molybdenum nitride (1/1) - $-delta","","- Mo N -","- Mo N -","- Mo8 N8 -","8","0.666667","","Bezinge, A; Yvon, K; Muller, J; Lengauer, W; Ettmayer, P","High-pressure high temperature experiments on delta-Mo N","Solid State Communications","1987","63","","141","145","10.1016/0038-1098(87)91183-5","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009057","7.17","","5.56","","5.32","","90","","90.1","","90","","212.1","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Disodium zinc germanate","","- Ge Na2 O4 Zn -","- Ge Na2 O4 Zn -","- Ge2 Na4 O8 Zn2 -","2","1","","Joubert-Bettan, C A; Lachenal, R; Bertaut, E F; Parthe, E","The crystal structures of Na2 Zn Si O4, Na2 Zn Ge O4 and Na2 Mg Ge O4","Journal of Solid State Chemistry","1969","1","","1","5","10.1016/0022-4596(69)90001-2","","","","","","0.15","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009058","3.05","","3.05","","3.113","","90","","90","","120","","25.1","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Molybdenum boride","","- B2 Mo -","- B2 Mo -","- B2 Mo -","1","0.0416667","","Bertaut, E. F.; Blum, P.","Existence et structure d'une nouvelle phase dans le systeme Mo-B","Acta Crystallographica","1951","4","1","72","72","10.1107/s0365110x51000180","","","","","","","","","","","","","","","","","","","","","has coordinates","182023","2020-10-21","18:00:00",""
"1009059","18.59399","0.006","9.181","0.004","12.493","0.005","90","","98.3","0.1","90","","2110.4","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Sodium tin antimonide (5/1/3)","","- Na5 Sb3 Sn -","- Na5 Sb3 Sn -","- Na40 Sb24 Sn8 -","8","2","","Eisenmann, B; Klein, J","Na5 Sn Sb3 and K8 Sn Sb4, zwei neue Zintlphasen mit tetraedrischen SnSb4-Baueinheiten","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1988","43","","1156","1160","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009060","14.816","","14.816","","14.816","","90","","90","","90","","3252.3","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Octasodium tetraantimonostannate","","- Na8 Sb4 Sn -","- Na8 Sb4 Sn -","- Na64 Sb32 Sn8 -","8","0.0416667","","Eisenmann, B; Klein, J","Eine Zintl-Phase mit isolierten Sn Sb4 (8-)-Anionen: Na8 Sn Sb4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1988","43","","1156","1160","","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1009061","9.984","0.002","3.4831","0.0008","15.591","0.003","90","","109.47","0.02","90","","511.2","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Niobium(VI) selenide","","- Nb Se3 -","- Nb Se3 -","- Nb6 Se18 -","6","1.5","","Hodeau, J L; Marezio, M; Roucau, C; Ayroles, R; Meerschaut, A; Rouxel, J; Monceau, P","Charge density waves in Nb Se3 at 145 K: Crystal structures X-Ray and electron diffraction studies","Journal of Physics C","1978","11","","4117","4134","10.1088/0022-3719/11/20/009","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009062","8.2232","0.0004","8.2232","0.0004","8.2232","0.0004","90","","90","","90","","556.1","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium manganese oxide (1.12/1.88/4)","","- Li1.12 Mn1.88 O4 -","- Li1.12 Mn1.88 O4 -","- Li8.96 Mn15.04 O32 -","8","0.0416667","","Strobel, P; Le Cras, F; Seguin, L; Anne, M; Tarascon, J M","Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron diffraction study","Journal of Solid State Chemistry","1998","135","","132","139","10.1006/jssc.1997.7611","","","","","","0.0193","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1009063","8.2449","0.0002","8.2449","0.0002","8.2449","0.0002","90","","90","","90","","560.5","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium manganese oxide (1/1.98/4)","","- Li1.08 Mn1.98 O4 -","- Li Mn1.98 O4 -","- Li8 Mn15.84 O32 -","8","0.0416667","","Strobel, P; Le Cras, F; Seguin, L; Anne, M; Tarascon, J M","Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron diffraction study","Journal of Solid State Chemistry","1998","135","","132","139","10.1006/jssc.1997.7611","","","","","","0.0146","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1009064","5.7396","0.0002","5.7396","0.0002","8.6709","0.0006","90","","90","","90","","285.6","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Lithium manganese oxide (0.89/2/3.84)","","- Li0.89 Mn2 O3.84 -","- Li0.89 Mn2 O3.84 -","- Li3.56 Mn8 O15.36 -","4","0.125","","Strobel, P; Le Cras, F; Seguin, L; Anne, M; Tarascon, J M","Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron diffraction study","Journal of Solid State Chemistry","1998","135","","132","139","10.1006/jssc.1997.7611","","","","","","0.0189","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009065","8.1491","0.0004","8.1491","0.0004","8.1491","0.0004","90","","90","","90","","541.2","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium manganese oxide (1.2/1.8/4.0)","","- Li1.198 Mn1.802 O3.972 -","- Li1.198 Mn1.802 O3.972 -","- Li9.584 Mn14.416 O31.776 -","8","0.0416667","","Strobel, P; Le Cras, F; Seguin, L; Anne, M; Tarascon, J M","Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron diffraction study","Journal of Solid State Chemistry","1998","135","","132","139","10.1006/jssc.1997.7611","","","","","","0.0133","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1009066","8.1634","0.0005","8.1634","0.0005","8.1634","0.0005","90","","90","","90","","544","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium manganese oxide (1.29/1.72/3.73)","","- Li1.288 Mn1.716 O3.732 -","- Li1.288 Mn1.716 O3.732 -","- Li10.304 Mn13.728 O29.856 -","8","0.0416667","","Strobel, P; Le Cras, F; Seguin, L; Anne, M; Tarascon, J M","Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron diffraction study","Journal of Solid State Chemistry","1998","135","","132","139","10.1006/jssc.1997.7611","","","","","","0.0128","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1009067","6.8943","0.0004","7.7529","0.0008","14.7644","0.0012","90","","90","","90","","789.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Trisamarium niobium triselenate","","- Nb O4 Se3 Sm3 -","- Nb O4 Se3 Sm3 -","- Nb4 O16 Se12 Sm12 -","4","0.5","","Meerschaut, A; Boyer, C; Lafond, A; Cario, L; Rouxel, J","Synthesis and structure determination of Sm3 Nb Se3 O4","Journal of Solid State Chemistry","1998","136","","122","126","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009068","3.624","0.005","3.624","0.005","8.36","0.008","90","","90","","90","","109.8","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Zirconium silicide selenide (2/1.9/1.99)","","- Se1.99 Si1.9 Zr2 -","- Se1.99 Si1.9 Zr2 -","- Se1.99 Si1.9 Zr2 -","1","0.0625","","Jeannin, Y; Mosset, A","Non-stoechiometrie du silicoseleniure de zirconium","Journal of the Less-Common Metals","1971","27","","237","242","10.1016/0022-5088(72)90033-1","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1009069","5.437","0.002","5.437","0.002","4.332","0.002","90","","90","","120","","110.9","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Lanthanum nickel manganese deuteride (0.98/3.89/1.13/5.97)","","- D5.97 La0.98 Mn1.13 Ni3.89 -","- D5.971 La0.979 Mn1.13 Ni3.891 -","- D5.971 La0.979 Mn1.13 Ni3.891 -","1","0.0416667","","Achard, J C; Givord, F; Percheron-Guegan, A; Soubeyroux, J L","Neutron study of Al or Mn substituted La Ni5 hydrogen sponges","Journal de Physique (Paris)","1979","40","","218","220","","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009070","5.31","0.002","5.31","0.002","4.249","0.002","90","","90","","120","","103.8","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Lanthanum nickel aluminium deuteride (0.98/3.96/1.06/5.11)","","- Al1.06 D5.11 La0.98 Ni3.96 -","- Al1.059 D5.103 La0.976 Ni3.965 -","- Al1.059 D5.103 La0.976 Ni3.965 -","1","0.0416667","","Achard, J C; Givord, F; Percheron-Guegan, A; Soubeyroux, J L","Neutron study of Al or Mn substituted La Ni5 hydrogen sponges","Journal de Physique (Paris)","1979","40","","218","220","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009071","5.819","","3.691","","6.853","","90","","90","","90","","147.2","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Manganese copper silicide (1/1/1)","","- Co Mn Si -","- Co Mn Si -","- Co4 Mn4 Si4 -","4","0.5","","Niziol, S; Binczycka, H; Szytula, A; Todorovic, J; Fruchart, R; Senateur, J P; Fruchart, D","Structure magnetique des Mn Co Si","Physica Status Solidi, Sectio A: Applied Research","1978","45","","591","597","10.1002/pssa.2210450231","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009072","5.8571","","3.6881","","6.8556","","90","","90","","90","","148.1","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Manganese copper silicide (1/1/1)","","- Co Mn Si -","- Co Mn Si -","- Co4 Mn4 Si4 -","4","0.5","","Niziol, S; Binczycka, H; Szytula, A; Todorovic, J; Fruchart, R; Senateur, J P; Fruchart, D","Structure magnetique des Mn Co Si","Physica Status Solidi, Sectio A: Applied Research","1978","45","","591","597","10.1002/pssa.2210450231","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009073","4.937","","4.432","","2.994","","90","","90","","90","","65.5","","","","","","","","","","","","","3","P 21 n m","P -2 2ac","31","","Iron oxide hydroxide - HP","","- Fe H O2 -","- Fe H2 O2 -","- Fe2 H4 O4 -","2","0.5","","Pernet, M; Joubert, J C; Berthet-Colominas, C","Etude par diffraction neutronique de la forme haute pression de Fe O O H","Solid State Communications","1975","17","","1505","1510","10.1016/0038-1098(75)90983-7","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009074","3.898","","3.898","","3.898","","90","","90","","90","","59.2","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Manganese gallium nitride (3/1/1)","","- Ga Mn3 N -","- Ga Mn3 N -","- Ga Mn3 N -","1","0.0208333","","Bertaut, E F; Fruchart, D; Bouchaud, J P; Fruchart, R","Diffraction neutronique de Mn3 Ga N","Solid State Communications","1968","6","","251","256","10.1016/0038-1098(68)90098-7","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009075","3.819","0.001","3.819","0.001","22.96399","0.005","90","","90","","90","","334.9","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Disamarium dititanium pentaoxide disulfide","","- O5 S2 Sm2 Ti2 -","- O5 S2 Sm2 Ti2 -","- O10 S4 Sm4 Ti4 -","2","0.0625","","Boyer, C; Deudon, C; Meerschaut, A","Synthesis and structure determination of the new Sm2 Ti2 O5 S2 compound","C. R. Acad. Sci. Paris, T. 1, Serie II","1999","2","","93","99","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010000","3.029","0.005","3.029","0.005","5.314","0.005","90","","90","","90","","48.8","","","","","","","","","","","","","2","","","","","Palladium oxide","","- O Pd -","","","2","","","Lunde, G","Ueber Existenz und Darstellung einiger Oxyde der Platinmetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","1927","163","","345","354","10.1002/zaac.19271630130","","","","","","","","","","","","","","","","","","","","","","201954","2020-10-21","18:00:00",""
"1010001","5.46","0.01","5.46","0.01","12.89","0.02","90","","90","","90","","384.3","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","Potassium fluorochromate","","- Cr F K O3 -","- Cr F K O3 -","- Cr4 F4 K4 O12 -","4","0.25","","Ketelaar, J A A; Wegerif, E","Die Krystallstruktur des Kaliumfluorochromats","Recueil des Travaux Chimiques des Pays-Bas et de la Belgique","1938","57","","1269","1275","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010002","9","","14.9","","3.96","","90","","90","","90","","531","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Ammonium cadmium chloride","","- Cd Cl3 H4 N -","- Cd Cl3 H2 N -","- Cd4 Cl12 H8 N4 -","4","0.5","","MacGillavry, C H; Nijveld, H; Dierdorp, S; Karsten, J","Die Krystallstruktur von N H~4~ Cd Cl~3~ und Rb Cd Cl~3~","Recueil des Travaux Chimiques des Pays-Bas et de la Belgique","1939","58","","193","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010003","12.23","","12.23","","12.23","","19.22","","19.22","","19.22","","173.3","","","","","","","","","","","","","2","R -3 m :R","-P 3* 2","166","","Arsenic tin (3/4)","","- As3 Sn4 -","- As3 Sn4 -","- As3 Sn4 -","1","0.0833333","","Haegg, G; Hybinette, A G","X-ray studies on the systems tin-antimony and tin-arsenic","Philosophical Magazine, Serie 7(1926-46,1955)","1935","20","","913","929","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010004","5.83","","8.14","","7.48","","90","","67.07","","90","","326.9","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Bismuth oxide - α","Bismite","- Bi2 O3 -","- Bi2 O3 -","- Bi8 O12 -","4","1","","Sillén, Lars Gunnar","Die Kristallstruktur des monoklinen α-Bi~2~O~3~","Naturwissenschaften","1940","28","13","206","207","10.1007/BF01498757","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010005","7.58","","7.58","","7.95","","90","","90","","90","","456.8","","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","Diammonium copper tetrachloride dihydrate","","- Cl4 Cu H12 N2 O2 -","- Cl4 Cu H12 N2 O2 -","- Cl8 Cu2 H24 N4 O4 -","2","0.125","","Chrobak, L","Quantitative Spectrometric studies of ammonium and of potassium cupric chloride dihydrate (N H~4~)~2~ Cu Cl~4~ (H~2~ O)~2~ and K~2~ Cu Cl~4~ (H~2~ O)~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","35","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","296116","2024-11-26","15:33:35",""
"1010006","7.58","","7.58","","7.95","","90","","90","","90","","456.8","","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","Diammonium copper tetrachloride dihydrate","","- Cl4 Cu H12 N2 O2 -","- Cl4 Cu H12 N2 O2 -","- Cl8 Cu2 H24 N4 O4 -","2","0.125","","Chrobak, L","Quantitative spectrometric studies of ammonium and of potassium cupric chloride dihydrate (N H~4~)~2~ Cu Cl~4~ (H~2~ O)~2~ and K~2~ Cu Cl~4~ (H~2~ O)~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","35","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","296116","2024-11-26","15:33:35",""
"1010007","7.58","","7.58","","7.95","","90","","90","","90","","456.8","","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","Diammonium copper tetrachloride dihydrate","","- Cl4 Cu H12 N2 O2 -","- Cl4 Cu H12 N2 O2 -","- Cl8 Cu2 H24 N4 O4 -","2","0.125","","Chrobak, L","Quantitative spectrometric studies of ammonium and of potassium cupric chloride dihydrate (N H~4~)~2~ Cu Cl~4~ (H~2~ O)~2~ and K~2~ Cu Cl~4~ (H~2~ O)~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","35","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010008","8.18","","8.29","","3.96","","90","","90","","90","","268.5","","","","","","","","","","","","","4","C m m 2","C 2 -2","35","","Diamminecadmium chloride","","- Cd Cl2 H6 N2 -","- Cd Cl2 H6 N2 -","- Cd2 Cl4 H12 N4 -","2","0.25","","MacGillavry, C H; Bijvoet, J M","Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","231","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010009","8.18","","8.29","","3.96","","90","","90","","90","","268.5","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Diamminecadmium chloride","","- Cd Cl2 H6 N2 -","- Cd Cl2 H6.75 N2 -","- Cd2 Cl4 H13.5 N4 -","2","0.125","","MacGillavry, C H; Bijvoet, J M","Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","231","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010010","8.55","","8.55","","4.13","","90","","90","","90","","301.9","","","","","","","","","","","","","4","C m m 2","C 2 -2","35","","Diamminecadmium bromide","","- Br2 Cd H6 N2 -","- Br2 Cd H6 N2 -","- Br4 Cd2 H12 N4 -","2","0.25","","MacGillavry, C H; Bijvoet, J M","Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","231","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010011","8.55","","8.55","","4.13","","90","","90","","90","","301.9","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Diamminecadmium bromide","","- Br2 Cd H6 N2 -","- Br2 Cd H6.75 N2 -","- Br4 Cd2 H13.5 N4 -","2","0.125","","MacGillavry, C H; Bijvoet, J M","Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","231","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010012","8.12","","8.12","","4.06","","90","","90","","90","","267.7","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Diamminemercury chloride","","- Cl2 H6 Hg N2 -","- Cl2 H6.75 Hg N2 -","- Cl4 H13.5 Hg2 N4 -","2","0.125","","MacGillavry, C H; Bijvoet, J M","Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","231","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010013","4.19","0.02","4.19","0.02","7.94","0.03","90","","90","","90","","139.4","","","","","","","","","","","","","4","P -4","P -4","81","","Ammonium mercury trichloride","","- Cl3 H4 Hg N -","- Cl3 H5 Hg N -","- Cl3 H5 Hg N -","1","0.25","","Harmsen, E. J.","The crystal structure of NH~4~HgCl~3~","Zeitschrift für Kristallographie - Crystalline Materials","1939","100","1-6","208","211","10.1524/zkri.1939.100.1.208","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1010014","10.02","","10.02","","6.35","","90","","90","","120","","552.1","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Rubidium dithionate","","- O6 Rb2 S2 -","- O6 Rb2 S2 -","- O18 Rb6 S6 -","3","0.5","","Barnes, W. H.; Wendling, A. V.","The structure of rubidium dithionate Rb~2~S~2~O~6~","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","153","180","10.1524/zkri.1938.99.1.153","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1010015","7.22","0.01","7.22","0.01","7.22","0.01","111.48","","111.48","","111.48","","266","","","","","","","","","","","","","3","R -3 c :R","-P 3* 2n","167","","Sodium metaborate","","- B3 Na3 O6 -","- B3 Na3 O6 -","- B6 Na6 O12 -","2","0.166667","","Ssu-Mien Fang","The crystal structure of sodium metaborate Na~3~B~3~O~6~","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","1","8","10.1524/zkri.1938.99.1.1","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010016","5.3222","0.0004","5.3222","","11.93","","90","","90","","90","","337.9","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Sodium iodate(VII)","","- I Na O4 -","- I Na O4 -","- I4 Na4 O16 -","4","0.25","","Hazlewood, E. A.","A Determination of the Oxygen Parameters for NaIO~4~","Zeitschrift für Kristallographie - Crystalline Materials","1938","98","1-6","439","446","10.1524/zkri.1938.98.1.439","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010017","5.584","","5.584","","22.45","","90","","90","","120","","606.2","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Sodium 11-aluminium oxide","","- Al11 Na O17 -","- Al11 Na O17 -","- Al22 Na2 O34 -","2","0.0833333","","Beevers, C. A.; Ross, M. A. S.","The crystal structure of ""β alumina"" Na~2~O · 11(Al~2~O~3~)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","97","1-6","59","66","10.1524/zkri.1937.97.1.59","","","","","","","","","","","","","","","","","","","","","has coordinates","200083","2020-10-21","18:00:00",""
"1010018","8.21","","12.05","","9.1","","90","","90","","90","","900.3","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","Dipotassium tin chloride hydrate","","- Cl4 H2 K2 O Sn -","- Cl4 H2 K2 O Sn -","- Cl16 H8 K8 O4 Sn4 -","4","0.5","","Brasseur, H; de Rassenfosse, A","The crystal structure of hydrated potassium chlorostannite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","101","","389","395","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010019","9.2","","11.42","","4.3","","90","","90","","90","","451.8","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","Strontium bromide","","- Br2 Sr -","- Br2 Sr -","- Br8 Sr4 -","4","0.5","","Kamermans, M A","The crystal structure of Sr Br~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","101","","406","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010020","4.05","","4.05","","4.9","","90","","90","","90","","80.4","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Lead bismuth oxide (.3/.7/1.3)","","- Bi0.67 O1.33 Pb0.33 -","- Bi0.67 O1.34 Pb0.33 -","- Bi1.34 O2.68 Pb0.66 -","2","0.125","","Sillen, L G; Aurivillius, B","Oxide phases with a defect oxygen lattice","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","101","","483","495","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010021","3.98","","3.98","","5.15","","90","","90","","90","","81.6","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Lead bismuth oxide (.5/.5/1.3)","","- Bi0.5 O1.33 Pb0.5 -","- Bi0.5 O1.34 Pb0.5 -","- Bi O2.68 Pb -","2","0.125","","Sillen, L G; Aurivillius, B","Oxide phases with a defect oxygen lattice","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","101","","483","495","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010022","3.97","","3.97","","28.59","","90","","90","","120","","390.2","","","","","","","","","","","","","3","R -3 m HR","","166","","Strontium bismuth oxide (.8/2.2/4)","","- Bi2.22 O4 Sr0.78 -","- Bi2.22 O4.02 Sr0.78 -","- Bi6.66 O12.06 Sr2.34 -","3","","","Sillen, L G; Aurivillius, B","Oxide phases with a defect oxygen lattice","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","101","","483","495","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010023","5.91","","9.23","","7.2","","90","","90","","90","","392.8","","","","","","","","","","","","","3","P b n n","-P 2n 2b","52","","Sodium chromate","","- Cr Na2 O4 -","- Cr Na2 O4 -","- Cr4 Na8 O16 -","4","0.5","","Miller, J J","The crystal structure of anhydrous sodium chromate, Na~2~ Cr O~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","131","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010024","10.316","0.001","10.316","","10.316","","90","","90","","90","","1097.8","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Zinc bromate hexahydrate","","- Br2 H12 O12 Zn -","- Br2 H12 O12 Zn -","- Br8 H48 O48 Zn4 -","4","0.166667","","Yue, S H; Beevers, C A","The crystal structure of zinc bromate hexahydrate Zn (Br O~3~)~2~ (H~2~ O)~6~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","426","434","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010025","9.51","","5.65","","6.42","","90","","90","","90","","345","","","","","","","","","","","","","3","B 1 21/d 1","-P 2ybc (x+1/2*z,y,1/2*z)","14","","Iron arsenide sulfide (1/1/1)","","- As Fe S -","- As Fe S -","- As8 Fe8 S8 -","8","","","Buerger, M J","The Symmetry and Crystal Structure of the Minerals of the Arsenopyrite Group.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","83","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","208306","2020-10-21","18:00:00",""
"1010026","5.45","","5.45","","5.45","","55.13","","55.13","","55.13","","101.5","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Nickel titanium oxide","","- Ni O3 Ti -","- Ni O3 Ti -","- Ni2 O6 Ti2 -","2","0.333333","","Posnjak, E; Barth, T F W","Notes on some structures of the Ilmenite type","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","271","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1010027","5.82","","5.82","","5.82","","53.6","","53.6","","53.6","","118.5","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Cadmium titanium oxide - low temperature modification","","- Cd O3 Ti -","- Cd O3 Ti -","- Cd2 O6 Ti2 -","2","0.333333","","Posnjak, E; Barth, T F W","Notes on some structures of the Ilmenite type","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","271","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1010028","10.302","0.03","10.302","","4.34","0.02","90","","90","","90","","460.6","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Tetraamminepalladium chloride hydrate","","- Cl2 H14 N4 O Pd -","- Cl2 H14 N4 O Pd -","- Cl4 H28 N8 O2 Pd2 -","2","0.125","","Dickinson, B N","The crystal structure of tetramminopalladous chloride Pd (N H~3~)~4~ Cl~2~ H~2~ O","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","281","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010029","14.35","","9.05","","14.5","","90","","113","","90","","1733.4","","","","","","","","","","","","","5","P -1","-P 1","2","","Lead potassium chloride .33-hydrate","","- Cl9 H2 K3 O Pb3 -","- Cl8.5 H2 K3 O0.5 Pb2.5 -","- Cl34 H8 K12 O2 Pb10 -","4","2","","Mehmel, M; Nespital, W","Kristalloqraphische und roentgenoqraphische Untersuchungen am Kaliumbleichlorid","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","345","355","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010030","5.078","0.005","5.078","0.005","4.223","0.005","90","","90","","90","","108.9","","","","","","","","","","","","","2","I -4 2 m","I -4 2","121","","Iron boride (2/1)","","- B Fe2 -","- B Fe2 -","- B4 Fe8 -","4","0.25","","Wever, F; Mueller, A","Ueber das Zweistoffsystem Eisen-Bor und ueber die Struktur des Eisenborides Fe~4~ B~2~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1930","192","","317","336","10.1002/zaac.19301920125","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010031","3.734","0.006","3.734","0.006","3.734","0.006","90","","90","","90","","52.1","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Rhenium(VI) oxide","","- O3 Re -","- O3 Re -","- O3 Re -","1","0.0208333","","Meisel, K","Rheniumtrioxyd III. Mitteilung: Ueber die Kristallstruktur des Rhenium trioxyds","Zeitschrift fuer Anorganische und Allgemeine Chemie","1932","207","","121","128","10.1002/zaac.19322070113","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010032","4.555","0.003","4.555","0.003","4.555","0.003","90","","90","","90","","94.5","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","Chromium silicide (3/1)","","- Cr3 Si -","- Cr3 Si -","- Cr6 Si2 -","2","0.0416667","","Boren, B","Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel","Arkiv foer Kemi, Mineralogi och Geologi, A","1933","11","1","1","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010033","4.422","0.005","4.422","0.005","6.351","0.005","90","","90","","120","","107.5","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Chromium silicide (1/2)","","- Cr Si2 -","- Cr Si2 -","- Cr3 Si6 -","3","0.25","","Boren, B","Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel","Arkiv foer Kemi, Mineralogi och Geologi, A","1934","11","10","1","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010034","4.62","0.002","4.62","0.002","4.62","0.002","90","","90","","90","","98.6","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Chromium silicide (1/1)","","- Cr Si -","- Cr Si -","- Cr4 Si4 -","4","0.333333","","Boren, B","Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel","Arkiv foer Kemi, Mineralogi och Geologi, A","1934","11","10","1","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010035","4.548","0.002","4.548","0.002","4.548","0.002","90","","90","","90","","94.1","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Manganese silicide (1/1) - $-epsilon","","- Mn Si -","- Mn Si -","- Mn4 Si4 -","4","0.333333","","Boren, B","Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel","Arkiv foer Kemi, Mineralogi och Geologi, A","1934","11","10","1","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010036","4.438","","4.438","","4.438","","90","","90","","90","","87.4","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Cobalt silicide(-II) - $-epsilon *","","- Co Si -","- Co Si -","- Co4 Si4 -","4","0.333333","","Boren, B","Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel.","Arkiv foer Kemi, Mineralogi och Geologi, A","1933","11","1","1","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010037","7.07","","7.07","","7.135","","90","","90","","120","","308.9","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","Copper(I) phosphide","","- Cu3 P -","- Cu3 P -","- Cu18 P6 -","6","0.5","","Steenberg, B","The Crystal Structure of Cu~3~ As and Cu~3~ P","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","2","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010038","3.992","","3.992","","6.091","","90","","90","","90","","97.1","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Copper antimony (2/1)","","- Cu2 Sb -","- Cu2 Sb -","- Cu4 Sb2 -","2","0.125","","Elander, M; Haegg, G; Westgren, A","The Crystal Structure of Cu~2~ Sb and Fe~2~ As","Arkiv foer Kemi, Mineralogi och Geologi, B","1935","12","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010039","5.209","","5.209","","8.761","","90","","90","","120","","205.9","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Barium dialuminium oxide","","- Al2 Ba O4 -","- Al2 Ba O4 -","- Al4 Ba2 O8 -","2","0.166667","","Wallmark, S; Westgren, A","X-Ray Analysis of Barium Aluminates","Arkiv foer Kemi, Mineralogi och Geologi, B","1937","12","35","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010040","4.497","","4.497","","3.707","","90","","90","","90","","75","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","Rubidium azide","","- N3 Rb -","- N3 Rb -","- N3 Rb -","1","0.0625","","Guenther, P; Porger, J; Rosbaud, P","Kristallstruktur und Schlagempfindlichkeit von Rubidiumazid und Bariumazid","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1930","6","","459","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010041","4.13","0.004","4.13","0.004","5.472","0.005","90","","90","","120","","80.8","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Platinum(III) antimonide","","- Pt Sb -","- Pt Sb -","- Pt2 Sb2 -","2","0.0833333","","Thomassen, L","Ueber Kristallstrukturen einiqer binaerer Verbindungen der Platinmetalle II","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","4","","277","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010042","4.92","","4.92","","4.92","","90","","90","","90","","119.1","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Silver fluoride","","- Ag F -","- Ag F -","- Ag4 F4 -","4","0.0208333","","Ott, H.","Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2; Präzisionsmessungen einiger Alkalihalogenide","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1926","63","","222","230","10.1524/zkri.1926.63.1.222","","","","","","","","","","","","","","","","","","","","","has coordinates","259054","2020-11-09","11:00:07",""
"1010043","6.12","0.05","6.12","0.05","6.12","0.05","90","","90","","90","","229.2","","","","","","","","","","","","","2","P 2 3","P 2 2 3","195","","Tin(IV) tetraiodide","","- I4 Sn -","- I4 Sn -","- I4 Sn -","1","0.0833333","","Ott, H.","Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2; Präzisionsmessungen einiger Alkalihalogenide","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1926","63","","222","230","10.1524/zkri.1926.63.1.222","","","","","","","","","","","","","","","","","","","","","has coordinates","259054","2020-11-09","11:00:07",""
"1010044","6.965","0.002","6.965","0.002","6.965","0.002","90","","90","","90","","337.9","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Strontium chloride","","- Cl2 Sr -","- Cl2 Sr -","- Cl8 Sr4 -","4","0.0208333","","Ott, H.","Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2; Präzisionsmessungen einiger Alkalihalogenide","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1926","63","","222","230","10.1524/zkri.1926.63.1.222","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010045","5.962","0.002","5.962","0.002","5.962","0.002","90","","90","","90","","211.9","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sodium bromide","","- Br Na -","- Br Na -","- Br4 Na4 -","4","0.0208333","","Ott, H.","Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2; Präzisionsmessungen einiger Alkalihalogenide","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1926","63","","222","230","10.1524/zkri.1926.63.1.222","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010046","6.585","0.002","6.585","0.002","6.585","0.002","90","","90","","90","","285.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Potassium bromide","","- Br K -","- Br K -","- Br4 K4 -","4","0.0208333","","Ott, H.","Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2; Präzisionsmessungen einiger Alkalihalogenide","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1926","63","","222","230","10.1524/zkri.1926.63.1.222","","","","","","","","","","","","","","","","","","","","","has coordinates","259054","2020-11-09","11:00:07",""
"1010047","6.535","0.002","6.535","0.002","6.535","0.002","90","","90","","90","","279.1","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Rubidium chloride","","- Cl Rb -","- Cl Rb -","- Cl4 Rb4 -","4","0.0208333","","Ott, H.","Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2; Präzisionsmessungen einiger Alkalihalogenide","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1926","63","","222","230","10.1524/zkri.1926.63.1.222","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010048","6.855","0.003","6.855","0.003","6.855","0.003","90","","90","","90","","322.1","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Rubidium bromide","","- Br Rb -","- Br Rb -","- Br4 Rb4 -","4","0.0208333","","Ott, H.","Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2; Präzisionsmessungen einiger Alkalihalogenide","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1926","63","","222","230","10.1524/zkri.1926.63.1.222","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010049","5.85","","12.67","","8.5","","90","","90","0","90","","630","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","POTASSIUM HEPTAFLUORONIOBATE","","- F7 K2 Nb -","- F7 K2 Nb -","- F28 K8 Nb4 -","4","1","","Hoard, J L","Structures of complex fluorides. Potassium heptafluocolumbate. The Configuration of the heptafluocolumbate and heptafluortantalate ions","Journal of the American Chemical Society","1939","61","","1252","1259","10.1021/ja01874a073","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010050","5.85","","12.67","","8.5","","90","","90","0","90","","630","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Potassium heptafluorotantalate","","- F7 K2 Ta -","- F7 K2 Ta -","- F28 K8 Ta4 -","4","1","","Hoard, J L","Structures of complex fluorides. Potassium heptafluocolumbate. The Configuration of the heptafluocolumbate and heptafluortantalate ions","Journal of the American Chemical Society","1939","61","","1252","1259","10.1021/ja01874a073","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010051","11.986","0.004","11.986","0.004","11.986","0.004","90","","90","","90","","1722","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Silicon iodide","","- I4 Si -","- I4 Si -","- I32 Si8 -","8","0.333333","","Hassel, O; Kringstad, H","Bemerkungen ueber den Kristallbau der Tetrahalogenide leichterer Elemente.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1931","13","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010052","11.6","0.01","11.6","0.01","11.6","0.01","90","","90","","90","","1560.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium hexaiodostannate","","- I6 Rb2 Sn -","- I6 Rb2 Sn -","- I24 Rb8 Sn4 -","4","0.0208333","","Werker, W","Die Kristallstruktur des Rb~2~ Sn I~6~ und Cs~2~ Sn I~6~","Recueil des Travaux Chimiques des Pays-Bas et de la Belgique","1939","58","","257","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010053","11.63","0.01","11.63","0.01","11.63","0.01","90","","90","","90","","1573","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexaiodostannate","","- Cs2 I6 Sn -","- Cs2 I6 Sn -","- Cs8 I24 Sn4 -","4","0.0208333","","Werker, W","Die Kristallstruktur des Rb~2~ Sn I~6~ und Cs~2~ Sn I~6~","Recueil des Travaux Chimiques des Pays-Bas et de la Belgique","1939","58","","257","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010054","3.715","0.01","3.715","0.01","18.3","0.04","90","","90","","120","","218.7","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Nickel bromide","","- Br2 Ni -","- Br2 Ni -","- Br6 Ni3 -","3","0.0833333","","Ketelaar, J A A","Die Kristallstruktur des Nickelbromids und -jodids","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","26","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010055","2.11","0.005","2.11","0.005","6.08","0.01","90","","90","","120","","23.4","","","","","","","","","","","","","2","P 6/m","-P 6","175","","Nickel bromide","","- Br0.6666 Ni0.3333 -","- Br0.666 Ni0.333 -","- Br0.666 Ni0.333 -","1","0.0833333","","Ketelaar, J A A","Die Kristallstruktur des Nickelbromids und -jodids","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","26","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010056","3.895","0.01","3.895","0.01","19.63","0.04","90","","90","","120","","257.9","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Nickel iodide","","- I2 Ni -","- I2 Ni -","- I6 Ni3 -","3","0.0833333","","Ketelaar, J A A","Die Kristallstruktur des Nickelbromids und -jodids","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","26","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010057","6.55","","6.55","","6.55","","90","","90","","90","","281","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","SODIUM CHLORATE","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","0.333333","","Kolkmeijer, N H; Bijvoet, J M; Karssen, A","Investigation by means of X-Rays of the crystal structure of sodium- chlorate and sodium-bromate.","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1920","23","","644","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1010058","6.74","","6.74","","6.74","","90","","90","","90","","306.2","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","SODIUM BROMATE","","- Br Na O3 -","- Br Na O3 -","- Br4 Na4 O12 -","4","0.333333","","Kolkmeijer, N H; Bijvoet, J M; Karssen, A","Investigation by means of X-Rays of the crystal structure of sodium- chlorate and sodium-bromate.","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1920","23","","644","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1010059","5.72","","5.72","","5.72","","90","","90","","90","","187.1","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Nitrogen(I) oxide","","- N2 O -","- N2 O -","- N8 O4 -","4","0.166667","","de Smedt, J.; Keesom, W. H.","The structure of solid nitrous oxide and carbon dioxide","Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen","1924","27","","839","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","209052","2020-10-21","18:00:00",""
"1010060","5.63","","5.63","","5.63","","90","","90","","90","","178.5","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Carbon dioxide","","- C O2 -","- C O2 -","- C4 O8 -","4","0.166667","","de Smedt, J.; Keesom, W. H.","The structure of solid nitrous oxide and carbon dioxide","Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen","1924","27","","839","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010061","11.89","","11.89","","11.89","","90","","90","","90","","1680.9","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","GERMANIUM TETRAIODIDE","","- Ge I4 -","- Ge I4 -","- Ge8 I32 -","8","0.333333","","Jaeger, F M; Terpstra, P; Westenbrink, H G K","On the crystal structure of germanium-tetraiodide","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1925","28","","747","766","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010062","4.59","","4.59","","6.78","","90","","90","","120","","123.7","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Lead iodide","","- I2 Pb -","- I2 Pb -","- I2 Pb -","1","0.0833333","","Terpstra, P; Westenbrink, H G K","On the crystal-structure of lead-iodide","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1926","29","","431","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010063","4.357","0.004","4.357","0.004","12.36","0.01","90","","90","","90","","234.6","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","MERCURY DIIODIDE","","- Hg I2 -","- Hg I2 -","- Hg2 I4 -","2","0.125","","Bijvoet, J M; Claassen, A; Karssen, A","The crystal structure of red mercuric iodide","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1926","29","","529","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010064","4.61","","4.61","","4.61","","90","","90","","90","","98","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","LITHIUM OXIDE","","- Li2 O -","- Li2 O -","- Li8 O4 -","4","0.0208333","","Bijvoet, J M; Claassen, A; Karssen, A","The scattering power of lithium and oxygen, determined from the diffraction-intensities of powdered lithiumoxide.","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1926","29","","1286","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010065","5.73","","5.98","","14.26","","90","","90","","90","","488.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Caesium rhenate","","- Cs O4 Re -","- Cs O2 Re -","- Cs4 O8 Re4 -","4","0.5","","Jaeger, F M; Beintema, J","The crystalstructure of cesium-, thallium- and rubidiumperrhenates","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1933","36","","523","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010066","5.63","","5.8","","13.33","","90","","90","","90","","435.3","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallous rhenate","","- O4 Re Tl -","- O2 Re Tl -","- O8 Re4 Tl4 -","4","0.5","","Jaeger, F M; Beintema, J","The crystalstructure of cesium-, thallium- and rubidiumperrhenates","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1933","36","","523","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010067","5.8","","5.8","","13.17","","90","","90","","90","","443","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Rubidium rhenate","","- O4 Rb Re -","","","4","0.25","","Jaeger, F M; Beintema, J","The crystalstructure of cesium-, thallium- and rubidiumperrhenates","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1933","36","","523","528","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1010068","8.56","","8.56","","6.12","","90","","90","","90","","448.4","","","","","","","","","","","","","1","P 42/n c m :1","P 4n 2ab -1n","138","","Dichlorine","","- Cl2 -","- Cl2 -","- Cl16 -","8","0.5","","Keesom, W H; Taconis, K W","On the structure of solid chlorine","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1936","39","","314","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010069","16.079","","16.079","","9.841","","90","","90","","120","","2203.4","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","Magnesium hexahydroxyantimonate hexahydrate","","- H24 Mg O18 Sb2 -","- H2 Mg O3.83333 Sb2 -","- H12 Mg6 O23 Sb12 -","6","0.5","","Beintema, J","On the crystal-structure of magnesium- and nickelantimonate.","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1936","39","","241","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010070","9.961","","12.506","","10.129","","90","","87.3","","90","","1260.4","","","","","","","","","","","","","4","I 1 2/a 1 S","","15","","Barium hexahydroxyantimonate dihydrate","","- Ba H16 O14 Sb2 -","- Ba H8 O7 Sb2 -","- Ba4 H32 O28 Sb8 -","4","","","Beintema, J","On the crystal structure of barium antimonate.","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1936","39","","652","661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010071","6.83","","6.83","","6.83","","90","","90","","90","","318.6","","","","","","","","","","","","","1","P a -3","-P 2ac 2ab 3","205","","Dioxygen - γ","","- O2 -","","","8","0.333333","","Keesom, W. H.; Taconis, K. W.","On the crystal structure of solid oxygen-γ","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1936","39","","149","149","","","","","","","","","","","","","","","","","","","","","","","201954","2020-10-21","18:00:00",""
"1010072","10.46","","10.46","","10.46","","90","","90","","90","","1144.4","","","","","","","","","","","","","3","F m -3","-F 2 2 3","202","","Caesium gold chloride (2/1/3)","","- Au2 Cl6 Cs2 -","- Au2 Cl6 Cs2 -","- Au8 Cl24 Cs8 -","4","0.0416667","","Ferrari, A","Sugli esacloroaurati misti","Gazzetta Chimica Italiana","1937","67","","94","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010073","4.06","","4.06","","4.06","","98.37","","98.37","","98.37","","64.5","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","CAESIUM DICHLOROIODATE(I)","","- Cl2 Cs I -","- Cl2 Cs I -","- Cl2 Cs I -","1","0.0833333","","Wyckoff, R W G","The Crystal Structure of Cesium Dichloro-Iodide","Journal of the American Chemical Society","1920","42","","1100","1116","10.1021/ja01451a005","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010074","6.9","","6.9","","6.9","","90","","90","","90","","328.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ammonium bromide","","- Br H4 N -","- Br H4 N -","- Br4 H16 N4 -","4","0.0208333","","Bartlett, G; Langmuir, I","The Crystal Structure of the Ammonium Halides Above and Below the Transition Temperature","Journal of the American Chemical Society","1921","43","","84","91","10.1021/ja01434a010","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010075","7.199","","7.199","","7.199","","90","","90","","90","","373.1","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ammonium iodide","","- H4 I N -","- H4 I N -","- H16 I4 N4 -","4","0.0208333","","Bartlett, G; Langmuir, I","The Crystal Structure of the Ammonium Halides Above and Below the Transition Temperature","Journal of the American Chemical Society","1921","43","","84","91","10.1021/ja01434a010","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010076","5.82","","5.82","","5.82","","90","","90","","90","","197.1","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Copper(I) bromide","","- Br Cu -","- Br Cu -","- Br4 Cu4 -","4","0.0416667","","Wyckoff, R W G; Posnjak, E","The Crystal Structures of the Cuprous Halides","Journal of the American Chemical Society","1922","44","","30","36","10.1021/ja01422a005","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010077","9.96","","9.96","","9.96","","90","","90","","90","","988","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium hexachlorostannate","","- Cl6 K2 Sn -","- Cl6 K2 Sn -","- Cl24 K8 Sn4 -","4","0.0208333","","Dickinson, R G","The Crystal Structures of Potassium and Ammonium Chlorostannates","Journal of the American Chemical Society","1922","44","","276","288","10.1021/ja01423a006","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010078","10.05","","10.05","","10.05","","90","","90","","90","","1015.1","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium hexachlorostannate","","- Cl6 H8 N2 Sn -","- Cl6 H8 N2 Sn -","- Cl24 H32 N8 Sn4 -","4","0.0208333","","Dickinson, R G","The Crystal Structures of Potassium and Ammonium Chlorostannates","Journal of the American Chemical Society","1922","44","","276","288","10.1021/ja01423a006","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010079","12.54","","12.54","","12.54","","90","","90","","90","","1971.9","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Potassium tetracyanozincate","","- C4 K2 N4 Zn -","- C4 K2 N4 Zn -","- C32 K16 N32 Zn8 -","8","0.0416667","","Dickinson, R G","The Crystal Structures of Complex Cyanides of Potassium with Zinc, Cadmium and Mercury","Journal of the American Chemical Society","1922","44","","774","784","10.1021/ja01425a010","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010080","12.84","","12.84","","12.84","","90","","90","","90","","2116.9","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Potassium tetracyanocadmate","","- C4 Cd K2 N4 -","- C4 Cd K2 N4 -","- C32 Cd8 K16 N32 -","8","0.0416667","","Dickinson, R G","The Crystal Structures of Complex Cyanides of Potassium with Zinc, Cadmium and Mercury","Journal of the American Chemical Society","1922","44","","774","784","10.1021/ja01425a010","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010081","12.76","","12.76","","12.76","","90","","90","","90","","2077.6","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Potassium tetracyanomercurate","","- C4 Hg K2 N4 -","- C4 Hg K2 N4 -","- C32 Hg8 K16 N32 -","8","0.0416667","","Dickinson, R G","The Crystal Structure of Complex Cyanides of Potassium with Zinc, Cadmium and Mercury","Journal of the American Chemical Society","1922","44","","774","784","10.1021/ja01425a010","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010082","7.04","","7.04","","4.1","","90","","90","","90","","203.2","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Potassium tetrachloropalladate","","- Cl4 K2 Pd -","- Cl4 K2 Pd -","- Cl4 K2 Pd -","1","0.0625","","Dickinson, R G","The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates","Journal of the American Chemical Society","1922","44","","2404","2411","10.1021/ja01432a007","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010083","6.99","","6.99","","4.13","","90","","90","","90","","201.8","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Potassium tetrachloroplatinate(II)","","- Cl4 K2 Pt -","- Cl4 K2 Pt -","- Cl4 K2 Pt -","1","0.0625","","Dickinson, R G","The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates","Journal of the American Chemical Society","1922","44","","2404","2411","10.1021/ja01432a007","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010084","7.21","","7.21","","4.26","","90","","90","","90","","221.5","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Ammonium tetrachloropalladate","","- Cl4 H8 N2 Pd -","- Cl4 H8 N2 Pd -","- Cl4 H8 N2 Pd -","1","0.0625","","Dickinson, R G","The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates","Journal of the American Chemical Society","1922","44","","2404","2411","10.1021/ja01432a007","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010085","9.1","","9.1","","9.1","","90","","90","","90","","753.6","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Ammonium hexafluoroferrate(III)","","- F6 Fe H12 N3 -","- F6 Fe H12 N3 -","- F24 Fe4 H48 N12 -","4","0.0416667","","Pauling, L","The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate","Journal of the American Chemical Society","1924","46","","2738","2751","10.1021/ja01677a019","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010086","8.4","","8.4","","8.4","","90","","90","","90","","592.7","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Ammonium hexafluoroaluminate","","- Al F6 H12 N3 -","- Al F6 H12 N3 -","- Al4 F24 H48 N12 -","4","0.0416667","","Pauling, L","The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate","Journal of the American Chemical Society","1924","46","","2738","2751","10.1021/ja01677a019","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010087","9.1","","9.1","","9.1","","90","","90","","90","","753.6","","","","","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","AMMONIUM TRIOXOTRIFLUOROMOLYBDATE","","- F3 H12 Mo N3 O3 -","- F3 H12 Mo N3 O3 -","- F12 H48 Mo4 N12 O12 -","4","0.0416667","","Pauling, L","The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate","Journal of the American Chemical Society","1924","46","","2738","2751","10.1021/ja01677a019","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010088","5.481","","5.481","","5.481","","38.72","","38.72","","38.72","","57.9","","","","","","","","","","","","","2","R -3 m :R","-P 3* 2","166","","Sodium azide","","- N3 Na -","- N3 Na -","- N3 Na -","1","0.0833333","","Hendricks, S B; Pauling, L","The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group","Journal of the American Chemical Society","1925","47","","2904","2920","10.1021/ja01689a008","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010089","6.094","","6.094","","7.056","","90","","90","","90","","262","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Potassium azide","","- K N3 -","- K N3 -","- K4 N12 -","4","0.125","","Hendricks, S B; Pauling, L","The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group","Journal of the American Chemical Society","1925","47","","2904","2920","10.1021/ja01689a008","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010090","6.07","","6.07","","7.03","","90","","90","","90","","259","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Potassium cyanate","","- C K N O -","- C K N O -","- C4 K4 N4 O4 -","4","0.125","","Hendricks, S B; Pauling, L","The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group","Journal of the American Chemical Society","1925","47","","2904","2920","10.1021/ja01689a008","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010091","7.255","","4.795","","9.78","","90","","90","","90","","340.2","","","","","","","","","","","","","1","C m c a","-C 2ac 2","64","","Diiodine","","- I2 -","- I2 -","- I8 -","4","","","Harris, P M; Mack, E; Blake, F C","The Atomic Arrangement in the Crystal of Orthorhombic Iodine","Journal of the American Chemical Society","1928","50","","1583","1600","10.1021/ja01393a009","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010092","5.74","","5.74","","5","","90","","90","","90","","164.7","","","","","","","","","","","","","3","P -4","P -4","81","","Ammonium nitrate - II","","- H4 N2 O3 -","","","2","0.5","","Hendricks, S B; Posnjak, E; Kracek, F C","Molecular Rotation in the Solid State. The Variation of the Crystal Structure of Ammonium Nitrate with Temperature","Journal of the American Chemical Society","1932","54","","2766","2786","10.1021/ja01346a020","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010093","4.1684","0.001","4.1684","0.001","4.1684","0.001","90","","90","","90","","72.4","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Nickel oxide","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Cairns, R W; Ott, E","X-Ray Studies of the System Nickel-Oxygen-Water. I. Nickelous Oxide and Hydroxide","Journal of the American Chemical Society","1933","55","","527","533","10.1021/ja01329a013","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010094","9.07","","5.6","","7.23","","90","","90","","90","","367.2","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rubidium tetrafluoroborate","","- B F4 Rb -","- B F4 Rb -","- B4 F16 Rb4 -","4","0.5","","Hoard, J L; Blair, V","The Crystal Structures of Rubidium and Ammonium Fluoborates","Journal of the American Chemical Society","1935","57","","1985","1988","10.1021/ja01313a067","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010095","4.18","0.01","4.18","0.01","4.18","0.01","90","","90","","90","","73","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","NICKEL OXIDE","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Smith, N","The Structure of Thin Films of Metallic Oxides and Hydrates","Journal of the American Chemical Society","1936","58","","173","179","10.1021/ja01292a050","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010096","16.67","","4.48","","8.72","","90","","90","","90","","651.2","","","","","","","","","","","","","1","C m c a","-C 2ac 2","64","","Bromine","","- Br -","- Br -","- Br8 -","8","","","Vonnegut, B; Warren, B E","The Structure of Crystalline Bromine","Journal of the American Chemical Society","1936","58","","2459","2461","10.1021/ja01303a030","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010097","6.417","0.005","6.417","0.005","6.417","0.005","90","","90","","90","","264.2","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","MANGANESE(IV) SELENIDE","","- Mn Se2 -","- Mn Se2 -","- Mn4 Se8 -","4","0.166667","","Elliott, N","The Crystal Structure of Manganese Diselenide and Manganese Ditelluride","Journal of the American Chemical Society","1937","59","","1958","1962","10.1021/ja01289a049","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010098","6.88","0.01","6.88","0.01","11.1","0.05","90","","90","","120","","455","","","","","","","","","","","","","4","R -3 HR","","148","","AMMONIUM TRIHYDROGENHEXAOXOIODATE(VII)","","- H11 I N2 O6 -","- H19 I N2 O6 -","- H57 I3 N6 O18 -","3","","","Helmholz, L.","The Crystal Structure of Ammonium Trihydrogen Paraperiodate, (N H~4~)~2~ H~3~ I O~6~","Journal of the American Chemical Society","1937","59","","2036","2039","10.1021/ja01289a073","","","","","","","","","","","","","","","","","","","","","has coordinates","277832","2022-09-14","15:07:16",""
"1010099","9.365","0.01","9.365","0.01","9.365","0.01","90","","90","","90","","821.3","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium heptafluorozirconate","","- F7 H12 N3 Zr -","- F7 H12.25 N3 Zr -","- F28 H49 N12 Zr4 -","4","0.0208333","","Hampson, G C; Pauling, L","The Structure of Ammonium Heptafluozirconate and Potassium Heptafluozirconate and the Configuration of the Heptafluozirconate Group","Journal of the American Chemical Society","1938","60","","2702","2707","10.1021/ja01278a046","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010100","8.951","0.01","8.951","0.01","8.951","0.01","90","","90","","90","","717.2","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium heptafluorozirconate","","- F7 K3 Zr -","- F7 K3 Zr -","- F28 K12 Zr4 -","4","0.0208333","","Hampson, G C; Pauling, L","The Structure of Ammonium Heptafluozirconate and Potassium Heptafluozirconate and the Configuration of the Heptafluozirconate Group","Journal of the American Chemical Society","1938","60","","2702","2707","10.1021/ja01278a046","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010101","5.62","0.01","5.62","0.01","4.65","0.01","90","","90","","120","","127.2","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Potassium hexafluorogermanate","","- F6 Ge K2 -","- F6 Ge K2 -","- F6 Ge K2 -","1","0.0833333","","Hoard, J L; Vincent, W B","Structures of Complex Fluorides. Potassium Hexafluogermanate and Ammonium Hexafluogermanate","Journal of the American Chemical Society","1939","61","","2849","2852","10.1021/ja01265a082","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010102","5.85","0.01","5.85","0.01","4.775","0.01","90","","90","","120","","141.5","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ammonium hexafluorogermanate","","- F6 Ge H8 N2 -","- F6 Ge H8 N2 -","- F6 Ge H8 N2 -","1","0.0833333","","Hoard, J L; Vincent, W B","Ytructures of Complex Fluorides. Potassium Hexafluogermanate and Ammonium Hexafluogermanate","Journal of the American Chemical Society","1939","61","","2849","2852","10.1021/ja01265a082","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010103","16.55","","11.7","","8.68","","90","","90","","90","","1680.8","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Potassium octacyanomolybdate(IV) dihydrate","","- C8 H4 K4 Mo N8 O2 -","- C8 H4 K4 Mo N8 O2 -","- C32 H16 K16 Mo4 N32 O8 -","4","0.5","","Hoard, J. L.; Nordsieck, H. H.","The Structure of Potassium Molybdocyanide Dihydrate. The Configuration of the Molybdenum Octocyanide Group","Journal of the American Chemical Society","1939","61","10","2853","2863","10.1021/ja01265a083","","","","","","","","","","","","","","","","","","","","","has coordinates","205558","2020-10-21","18:00:00",""
"1010104","5.56","","5.56","","22.55","","90","","90","","120","","603.7","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Sodium aluminium oxide (1/23/35)","","- Al23 Na O35 -","- Al23 Na O35 -","- Al23 Na O35 -","1","0.0416667","","Bragg, W. L.; Gottfried, C.; West, J.","The Structure of β Alumina","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","77","1-6","255","274","10.1524/zkri.1931.77.1.255","","","","","","","","","","","","","","","","","","","","","has coordinates","200081","2020-10-21","18:00:00",""
"1010105","11.0457","0.0002","11.0457","0.0002","11.0457","0.0002","90","","90","","90","","1347.7","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Arsenic oxide","","- As2 O3 -","- As2 O3 -","- As32 O48 -","16","0.0833333","","Lihl, F","Praezisionsbestimmung der Gitterkonstanten von As~2~ O~3~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","81","","142","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010106","8.02","0.02","8.02","0.02","10.75","0.02","90","","90","","90","","691.4","","","","","","","","","","","","","4","I -4 c 2","I -4 -2c","120","","Beryllium sulfate tetrahydrate","","- Be H8 O8 S -","- Be H8 O8 S -","- Be4 H32 O32 S4 -","4","0.25","","Beevers, C A; Lipson, H","The Crystal Structure of Beryllium Sulphate Tetrahydrate, Be S O~4~ (H~2~ O)~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","82","","297","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010107","8.26","0.01","8.26","0.01","8.26","0.01","90","","90","","90","","563.6","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Magnesium digallium oxide","","- Ga2 Mg O4 -","- Ga2 Mg O4 -","- Ga16 Mg8 O32 -","8","0.0416667","","Barth, T F W; Posnjak, E","Spinel structures: with and without variate atom equipoints","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","82","","325","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010108","8.81","0.01","8.81","0.01","8.81","0.01","90","","90","","90","","683.8","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Magnesium diindium oxide","","- In2 Mg O4 -","- In2 Mg O4 -","- In16 Mg8 O32 -","8","0.0416667","","Barth, T F W; Posnjak, E","Spinel structures: with and without variate atom equipoints","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","82","","325","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010109","8.5","0.01","8.5","0.01","8.5","0.01","90","","90","","90","","614.1","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Diiron titanium oxide","","- Fe2 O4 Ti -","- Fe2 O4 Ti -","- Fe16 O32 Ti8 -","8","0.0416667","","Barth, T F W; Posnjak, E","Spinel structures: with and without variate atom equipoints","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","82","","325","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010110","8.61","0.01","8.61","0.01","8.61","0.01","90","","90","","90","","638.3","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Dizinc tin(IV) oxide","","- O4 Sn Zn2 -","- O4 Sn Zn2 -","- O32 Sn8 Zn16 -","8","0.0416667","","Barth, T F W; Posnjak, E","Spinel structures: with and without variate atom equipoints","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","82","","325","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010111","7.48","0.01","7.48","0.01","7.48","0.01","90","","90","","90","","418.5","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Disodium calcium silicate","","- Ca Na2 O4 Si -","- Ca Na2 O4 Si -","- Ca4 Na8 O16 Si4 -","4","0.333333","","Barth, T. F. W.; Posnjak, E.","Silicate structures of the cristobalite type: II. The crystal structure of Na~2~ Ca Si O~4~","Zeitschrift für Kristallographie - Crystalline Materials","1932","81","1","370","375","10.1524/zkri.1932.81.1.370","","","","","","","","","","","","","","","","","","","","","has coordinates","135400","2020-10-21","18:00:00",""
"1010112","10.24","","10.24","","10.24","","90","","90","","90","","1073.7","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Antimony(III) antimony(V) oxide","","- O4 Sb2 -","- O4 Sb2 -","- O64 Sb32 -","16","0.0833333","","Natta, G; Baccaredda, M","Tetrossido di antimonio e antimoniati","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","85","","271","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1010113","3.78","","3.78","","6.77","","90","","90","","90","","96.7","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Barium peroxide","","- Ba O2 -","- Ba O2 -","- Ba2 O4 -","2","0.0625","","Bernal, J D; Djatlowa, E; Kasarnowsky, P; Reichstein, S; Ward, A G","The Structure of Strontium and Barium Peroxides, Sr O~2~ and Ba O~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","344","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010114","3.55","","3.55","","6.55","","90","","90","","90","","82.5","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Strontium peroxide","","- O2 Sr -","- O2 Sr -","- O4 Sr2 -","2","0.0625","","Bernal, J D; Djatlowa, E; Kasarnowsky, I; Reichstein, S; Ward, A G","The Structure of Strontium and Barium Peroxides, Sr O~2~ and Ba O~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","344","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010115","7.76","","13.46","","5.26","","90","","90","","90","","549.4","","","","","","","","","","","","","4","P m n 21 S","","31","","Magnesium chlorate(VII) hexahydrate","","- Cl2 H12 Mg O14 -","- Cl2 H12 Mg O14 -","- Cl4 H24 Mg2 O28 -","2","","","West, C D","Crystal Structures of Hydrated Compounds. II. Structure Type Mg (Cl O~4~)~2~ (H~2~ O)~6~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","91","","480","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010116","5.44","","5.44","","5.44","","90","","90","","90","","161","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Manganese selenide - $-alpha","","- Mn Se -","- Mn Se -","- Mn4 Se4 -","4","0.0208333","","Baroni, A.","Sul polimorfismo di MnSe","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","336","339","10.1524/zkri.1938.99.1.336","","","","","","","","","","","","","","","","","","","","","has coordinates","175087","2020-10-21","18:00:00",""
"1010117","5.82","","5.82","","5.82","","90","","90","","90","","197.1","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Manganese selenide - $-beta","","- Mn Se -","- Mn Se -","- Mn4 Se4 -","4","0.0416667","","Baroni, A.","Sul polimorfismo di MnSe","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","336","339","10.1524/zkri.1938.99.1.336","","","","","","","","","","","","","","","","","","","","","has coordinates","175087","2020-10-21","18:00:00",""
"1010118","5.77","","5.77","","5.77","","90","","90","","90","","192.1","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Caesium tribromomercurate","","- Br3 Cs Hg -","- Br3 Cs Hg -","- Br3 Cs Hg -","1","0.0208333","","Natta, G; Passerini, L","Isomorfismo, polimorfismo e morfotropia. - I. Composti del tipo A B X~3~","Gazzetta Chimica Italiana","1928","58","","472","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010119","5.66","","5.66","","5.66","","90","","90","","90","","181.3","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Caesium chlorodibromomercurate","","- Br2 Cl Cs Hg -","- Br2.01 Cl0.99 Cs Hg -","- Br2.01 Cl0.99 Cs Hg -","1","0.0208333","","Natta, G; Passerini, L","Isomorfismo, polimorfismo e morfotropia. - I- Composti del tipo A B X~3~","Gazzetta Chimica Italiana","1928","58","","472","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010120","5.6","","5.6","","5.6","","90","","90","","90","","175.6","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Caesium dichlorobromomercurate","","- Br Cl2 Cs Hg -","- Br0.99 Cl2.01 Cs Hg -","- Br0.99 Cl2.01 Cs Hg -","1","0.0208333","","Natta, G; Passerini, L","Isomorfismo, polimorfismo e morfotropia. - I. Composti del tipo A B X~3~","Gazzetta Chimica Italiana","1928","58","","472","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010121","5.44","","5.44","","5.44","","90","","90","","90","","161","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Caesium trichloromercurate","","- Cl3 Cs Hg -","- Cl3 Cs Hg -","- Cl3 Cs Hg -","1","0.0208333","","Natta, G; Passerini, L","Isomorfismo, polimorfismo e morfotropia. - I. Composti del tipo A B X~3~","Gazzetta Chimica Italiana","1928","58","","472","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010122","5.33","","5.33","","5.33","","90","","90","","90","","151.4","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Caesium tribromocadmate","","- Br3 Cd Cs -","- Br3 Cd Cs -","- Br3 Cd Cs -","1","0.0208333","","Natta, G; Passerini, L","Isomorfismo, polimorfismo e morfotropia. - I. Composti del tipo A B X~3~","Gazzetta Chimica Italiana","1928","58","","472","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010123","5.2","","5.2","","5.2","","90","","90","","90","","140.6","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Caesium trichlorocadmate","","- Cd Cl3 Cs -","- Cd Cl3 Cs -","- Cd Cl3 Cs -","1","0.0208333","","Natta, G; Passerini, L","Isomorfismo, polimorfismo e morfotropia. - I. Composti del tipo A B X~3~","Gazzetta Chimica Italiana","1928","58","","472","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010124","6.1","","6.1","","6.1","","90","","90","","90","","227","","","","","","","","","","","","","2","P 42 3 2","P 4n 2 3","208","","Magnesium arsenide","","- As2 Mg3 -","- As2 Mg3 -","- As4 Mg6 -","2","0.0833333","","Natta, G; Passerini, L","Sugli arseniuri di magnesio e di zinco","Gazzetta Chimica Italiana","1928","58","","541","550","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010125","5.81","","5.81","","5.81","","90","","90","","90","","196.1","","","","","","","","","","","","","2","P 42 3 2","P 4n 2 3","208","","Zinc arsenide","","- As2 Zn3 -","- As2 Zn3 -","- As4 Zn6 -","2","0.0833333","","Natta, G; Passerini, L","Sugli arseniuri di magnesio e di zinco","Gazzetta Chimica Italiana","1928","58","","541","550","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010126","5.68","","5.68","","5.68","","90","","90","","90","","183.3","","","","","","","","","","","","","2","P 42 3 2","P 4n 2 3","208","","Zinc phosphide","","- P2 Zn3 -","- P2 Zn3 -","- P4 Zn6 -","2","0.0833333","","Passerini, L","Struttura cristallina di alcuni fosfuri di metalli bivalenti e trivalenti","Gazzetta Chimica Italiana","1928","58","","655","664","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010127","6.06","","6.06","","6.06","","90","","90","","90","","222.5","","","","","","","","","","","","","2","P 42 3 2","P 4n 2 3","208","","Cadmium phosphide","","- Cd3 P2 -","- Cd3 P2 -","- Cd6 P4 -","2","0.0833333","","Passerini, L","Struttura cristallina di alcuni fosfuri di metalli bivalenti e trivalenti","Gazzetta Chimica Italiana","1928","58","","655","664","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010128","8.055","0.005","8.055","0.005","8.055","0.005","90","","90","","90","","522.6","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Copper dialuminium oxide","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","Passerini, L","Ricerche sugli Spinelli.- II- I composti. Cu Al~2~ O~4~, Mg Al~2~ O~4~, Mg Fe~2~ O~4~, Zn Al~2~ O~4~, Zn Cr~2~ O~4~, Zn Fe~2~ O~4~, Mn Fe~2~ O~4~","Gazzetta Chimica Italiana","1930","60","","389","399","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010129","8.05","0.005","8.05","0.005","8.05","0.005","90","","90","","90","","521.7","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Magnesium dialuminium oxide","","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Passerini, L","Ricerche sugli Spinelli.- II. I composti. Cu Al~2~ O~4~, Mg Al~2~ O~4~, Mg Fe~2~ O~4~, Zn Al~2~ O~4~, Zn Cr~2~ O~4~, Zn Fe~2~ O~4~, Mn Fe~2~ O~4~","Gazzetta Chimica Italiana","1930","60","","389","399","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010130","8.35","0.005","8.35","0.005","8.35","0.005","90","","90","","90","","582.2","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Zinc diiron(III) oxide","","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Passerini, L","Ricerche sugli Spinelli.- II. I composti. Cu Al~2~ O~4~, Mg Al~2~ O~4~, Mg Fe~2~ O~4~, Zn Al~2~ O~4~, Zn Cr~2~ O~4~, Zn Fe~2~ O~4~, Mn Fe~2~ O~4~","Gazzetta Chimica Italiana","1930","60","","389","399","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010131","8.515","0.005","8.515","0.005","8.515","0.005","90","","90","","90","","617.4","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Manganese diiron(III) oxide","","- Fe2 Mn O4 -","- Fe2 Mn O4 -","- Fe16 Mn8 O32 -","8","0.0416667","","Passerini, L","Ricerche sugli Spinelli.- II. I Composti. Cu Al~2~ O~4~, Mg Al~2~ O~4~, Mg Fe~2~ O~4~, Zn Al~2~ O~4~, Zn Cr~2~ O~4~, Zn Fe~2~ O~4~, Mn Fe~2~ O~4~","Gazzetta Chimica Italiana","1930","60","","389","399","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010132","6.31","0.01","6.31","0.01","6.31","0.01","90","","90","","90","","251.2","","","","","","","","","","","","","2","P 42 3 2","P 4n 2 3","208","","Phosphane","","- H3 P -","- H3 P -","- H12 P4 -","4","0.166667","","Natta, G; Casazza, E","La struttura dell'idrogeno fosforato (P H~3~) e dell'idrogeno arsenicale (As H~3~)","Gazzetta Chimica Italiana","1930","60","","851","859","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010133","6.4","0.02","6.4","0.02","6.4","0.02","90","","90","","90","","262.1","","","","","","","","","","","","","2","P 42 3 2","P 4n 2 3","208","","Hydrogen arsenide","","- As H3 -","- As H3 -","- As4 H12 -","4","0.166667","","Natta, G; Casazza, E","La struttura dell'idrogeno fosforato (P H~3~) e dell'idrogeno arsenicale (As H~3~)","Gazzetta Chimica Italiana","1930","60","","851","859","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010134","5.41","0.01","5.41","0.01","5.41","0.01","90","","90","","90","","158.3","","","","","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","Silicon fluoride","","- F4 Si -","- F4 Si -","- F8 Si2 -","2","0.0416667","","Natta, G.","Struttura del tetrafluoruro de Silicio","Gazzetta Chimica Italiana","1930","60","","911","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010135","9.04","0.01","9.04","0.01","9.04","0.01","90","","90","","90","","738.8","","","","","","","","","","","","","4","F m -3","-F 2 2 3","202","","Ammonium hexafluorovanadate(III)","","- F6 H12 N3 V -","- F6 H12 N3 V -","- F24 H48 N12 V4 -","4","0.0416667","","Passerini, L; Pirani, R","Struttura dei sali complessi contenenti atomi o gruppi coordinati di specie diversa.- I. Complessi a numero di coordinazione 6. I sali. (N H~4~)~3~ (V F~6~), Tl~2~ (V F~5~ (H~2~ O))","Gazzetta Chimica Italiana","1932","62","","279","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010136","8.45","0.01","8.45","0.01","8.45","0.01","90","","90","","90","","603.4","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","Thallium pentafluorovanadate(III) hydrate","","- F5 H2 O Tl2 V -","- F4.98 H2.29 O1.02 Tl2 V -","- F19.92 H9.16 O4.08 Tl8 V4 -","4","0.0416667","","Passerini, L; Pirani, R","Struttura dei sali complessi contenenti atomi o gruppi coordinati di specie diversa.- I. Complessi a numero di coordinazione 6. I sali. (N H~4~)~3~ (V F~6~), Tl~2~ (V F~5~ (H~2~ O))","Gazzetta Chimica Italiana","1932","62","","279","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010137","9.01","0.01","9.01","0.01","9.01","0.01","90","","90","","90","","731.4","","","","","","","","","","","","","4","F m -3","-F 2 2 3","202","","Ammonium hexafluorochromate(III)","","- Cr F6 H12 N3 -","- Cr F6 H12 N3 -","- Cr4 F24 H48 N12 -","4","0.0416667","","Passerini, L; Pirani, R","Struttura dei sali complessi contenenti atomi o gruppi coordinati di specie diversa.- II. Complessi a numero di coordinazione 6.I sali. (N H~4~)~3~ (V F~6~), Rb~2~ (Cr F~5~ (H~2~ O))","Gazzetta Chimica Italiana","1932","62","","289","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010138","8.38","0.05","8.38","0.05","8.38","0.05","90","","90","","90","","588.5","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","Rubidium pentafluoroaquachromate(III)","","- Cr F5 H2 O Rb2 -","- Cr F4.98 H3.04 O1.02 Rb2 -","- Cr4 F19.92 H12.16 O4.08 Rb8 -","4","0.0416667","","Passerini, L; Pirani, R","Struttura dei sali complessi contenenti atomi o gruppi coordinati di specie diversa.- II. Complessi a numero di coordinazione 6.I sali. (N H~4~)~3~ (V F~6~), Rb~2~ (Cr F~5~ (H~2~ O))","Gazzetta Chimica Italiana","1932","62","","289","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010139","8.42","0.01","8.42","0.01","8.42","0.01","90","","90","","90","","596.9","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","Ammonium pentafluorovanadate(III) hydrate","","- F5 H10 N2 O V -","- F4.98 H9.25 N2 O1.02 V -","- F19.92 H37 N8 O4.08 V4 -","4","0.0416667","","Pirani, R","Sali complessi contenenti atomi o gruppi coordinati di specie diversa. Complessi a numero di coordinazione 6.-I. I sali (N H~4~)~2~ (V F~5~ (H~2~ O)), (Rb~2~ (V F~5~ (H~2~ O)), Tl~2~ (Cr F~5~ (H~2~ O))","Gazzetta Chimica Italiana","1932","62","","380","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010140","8.42","0.01","8.42","0.01","8.42","0.01","90","","90","","90","","596.9","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","Rubidium pentafluoroaquavanadate(III)","","- F5 H2 O Rb2 V -","- F4.98 H3.04 O1.02 Rb2 V -","- F19.92 H12.16 O4.08 Rb8 V4 -","4","0.0416667","","Pirani, R","Sali complessi contenenti atomi o gruppi coordinati di specie diversa. Complessi a numero di coordinazione 6.-I. I sali (N H~4~)~2~ (V F~5~ (H~2~ O)), (Rb~2~ (V F~5~ (H~2~ O)), Tl~2~ (Cr F~5~ (H~2~ O))","Gazzetta Chimica Italiana","1932","62","","380","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010141","8.41","0.01","8.41","0.01","8.41","0.01","90","","90","","90","","594.8","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","Thallium pentafluorochromate(III) hydrate","","- Cr F5 H2 O Tl2 -","- Cr F4.98 H2.29 O1.02 Tl2 -","- Cr4 F19.92 H9.16 O4.08 Tl8 -","4","0.0416667","","Pirani, R","Sali complessi contenenti atomi o gruppi coordinati di specie diversa. Complessi a numero di coordinazione 6.-I. I sali (N H~4~)~2~ (V F~5~ (H~2~ O)), (Rb~2~ (V F~5~ (H~2~ O)), Tl~2~ (Cr F~5~ (H~2~ O))","Gazzetta Chimica Italiana","1932","62","","380","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010142","4.85","0.01","4.85","0.01","6.6","0.01","90","","90","","90","","155.2","","","","","","","","","","","","","3","I -4","I -4","82","","Aluminium phosphate","","- Al O4 P -","- Al O4 P -","- Al2 O8 P2 -","2","0.25","","Strada, M","La struttura cristallina di alcuni fosfati ed arseniati di metalli trivalenti. I. Fosfato ed arseniato di alluminio","Gazzetta Chimica Italiana","1934","64","","653","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010143","4.9","0.01","4.9","0.01","6.64","0.01","90","","90","","90","","159.4","","","","","","","","","","","","","3","I -4","I -4","82","","Aluminium arsenate","","- Al As O4 -","- Al As O4 -","- Al2 As2 O8 -","2","0.25","","Strada, M","La struttura cristallina di alcuni fosfati ed arseniati di metalli trivalenti. I. Fosfato ed arseniato di alluminio","Gazzetta Chimica Italiana","1934","64","","653","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010144","10.46","","10.46","","10.46","","90","","90","","90","","1144.4","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Dicaesium gold hexachloroaurate","","- Au2 Cl6 Cs2 -","- Au2 Cl6 Cs2 -","- Au8 Cl24 Cs8 -","4","0.0208333","","Ferrari, A","Sugli esacloroaurati misti","Gazzetta Chimica Italiana","1937","67","","94","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010145","10.45","","10.45","","10.45","","90","","90","","90","","1141.2","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Dicaesium silver hexachloroaurate","","- Ag Au Cl6 Cs2 -","- Ag Au Cl6 Cs2 -","- Ag4 Au4 Cl24 Cs8 -","4","0.0208333","","Ferrari, A","Sugli esacloroaurati misti","Gazzetta Chimica Italiana","1937","67","","94","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010146","5.861","","5.861","","5.861","","90","","90","","90","","201.3","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Indium phosphide","","- In P -","- In P -","- In4 P4 -","4","0.0416667","","Iandelli, A","Sulla struttura dei composti In P, In As e In Sb","Gazzetta Chimica Italiana","1940","70","","58","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010147","10.15","","12.07","","4.31","","90","","90","","90","","528","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Arsenic bromide","","- As Br3 -","- As Br3 -","- As4 Br12 -","4","1","","Braekken, H","Die Kristallstruktur von Arsen- und Antimontribromid","Kongelige Norske Videnskapers Selskab, Forhandlinger","1935","8","","3","3","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010148","4.52","","4.52","","4.52","","90","","90","","90","","92.3","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","Neon","","- Ne -","- Ne -","- Ne4 -","4","0.0208333","","de Smedt, J.; Keesom, W. H.; Mooy, H. H.","On the Crystal Structure of Neon","Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen","1930","33","","255","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","209051","2020-10-21","18:00:00",""
"1010151","6.26","","6.26","","18.2","","90","","90","","120","","617.7","","","","","","","","","","","","","2","P 3","P 3","143","","Chromium bromide","","- Br3 Cr -","- Br3 Cr -","- Br18 Cr6 -","6","2","","Braekken, H","Die Kristallstruktur von Chromtribromid","Kongelige Norske Videnskapers Selskab, Forhandlinger","1932","5","","42","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010152","6.126","","6.126","","6.126","","90","","90","","90","","229.9","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Aluminium antimonide","","- Al Sb -","- Al Sb -","- Al4 Sb4 -","4","0.0416667","","Owen, E A; Preston, G D","The Atomic Structure of Two Intermetallic Compounds","Proceedings of the Physical Society, London","1924","36","","341","348","10.1088/1478-7814/36/1/339","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010153","8.12","","8.12","","7.91","","90","","90","","90","","521.5","","","","","","","","","","","","","4","P 42/n :2","-P 4bc","86","","Silver hexahydroxoantimonate","","- Ag H6 O6 Sb -","- Ag H6 O6 Sb -","- Ag4 H24 O24 Sb4 -","4","0.5","","Schrewelius, N","Roentgenuntersuchung der Verbindungen Na Sb (O H)~6~, Na Sb F~6~, Na Sb O~3~ und gleichartiger Stoffe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","238","","241","254","10.1002/zaac.19382380209","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010154","8.18","","8.18","","8.18","","90","","90","","90","","547.3","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Sodium hexafluoroantimonate","","- F6 Na Sb -","- F6 Na Sb -","- F24 Na4 Sb4 -","4","0.166667","","Schrewelius, N","Roentgenuntersuchung der Verbindungen Na Sb (O H)~6~, Na Sb F~6~, Na Sb O~3~ und gleichartiger Stoffe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","238","","241","254","10.1002/zaac.19382380209","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010155","5.227","","5.227","","9.98","","90","","90","","120","","236.1","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Sodium dihydroxotetrafluoroantimonate","","- F4 H2 Na O2 Sb -","- F4.0002 H0.3333 Na O1.9998 Sb -","- F8.0004 H0.6666 Na2 O3.9996 Sb2 -","2","0.166667","","Schrewelius, N","Roentgenuntersuchung der Verbindungen Na Sb (O H)~6~, Na Sb F~6~, Na Sb O~3~ und gleichartiger Stoffe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","238","","241","254","10.1002/zaac.19382380209","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010156","10.2","","10.2","","10.2","","90","","90","","90","","1061.2","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Sodium catena-antimonate","","- Na O3 Sb -","- Na O3 Sb -","- Na16 O48 Sb16 -","16","0.0833333","","Schrewelius, N","Roentgenuntersuchung der Verbindungen Na Sb (O H)~6~, Na Sb F~6~, Na Sb O~3~ und gleichartiger Stoffe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","238","","241","254","10.1002/zaac.19382380209","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010157","10.46","","10.46","","10.46","","90","","90","","90","","1144.4","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Bismuth fluoride hexaoxoditantalate","","- Bi F O6 Ta2 -","- Bi F O6 Ta2 -","- Bi8 F8 O48 Ta16 -","8","0.0416667","","Dihlstroem, K; Westgren, A","Ueber den Bau des sogenannten Antimontetroxyds und der damit isomorphen Verbindung Bi Ta~2~ O~6~ F","Zeitschrift fuer Anorganische und Allgemeine Chemie","1937","235","","153","160","10.1002/zaac.19372350121","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010158","3.61","0.01","3.61","0.01","6.37","0.01","90","","90","","90","","83","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Thallium aluminium fluoride","","- Al F4 Tl -","- Al F4 Tl -","- Al F4 Tl -","1","0.0625","","Brosset, C","Herstellung und Kristallbau der Verbindungen Tl Al F~4~ und Tl~2~ Al F~5~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1937","235","","139","147","10.1002/zaac.19372350119","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010159","10.06","0.01","8.24","0.01","7.46","0.01","90","","90","","90","","618.4","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Dithallium aluminium fluoride","","- Al F5 Tl2 -","- Al F5 Tl2 -","- Al4 F20 Tl8 -","4","0.5","","Brosset, C","Herstellung und Kristallbau der Verbindungen Tl Al F~4~ und Tl~2~ Al F~5~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1937","235","","139","147","10.1002/zaac.19372350119","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010160","3.84","","3.84","","12.03","","90","","90","","90","","177.4","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Lithium tribismuth tetraoxide dichloride","","- Bi3 Cl2 Li O4 -","- Bi3 Cl2 Li O4 -","- Bi3 Cl2 Li O4 -","1","0.03125","","Sillen, L G","Roentgenuntersuchung von Li Bi~3~ O~4~ Cl~2~ und verwandten Stoffen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","242","","41","46","10.1002/zaac.19392420104","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010161","3.877","","3.877","","12.13","","90","","90","","90","","182.3","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sodium tribismuth tetraoxide dichloride","","- Bi3 Cl2 Na O4 -","- Bi3 Cl2 Na O4 -","- Bi3 Cl2 Na O4 -","1","0.03125","","Sillen, L G","Roentgenuntersuchung von Li Bi~3~ O~4~ Cl~2~ und verwandten Stoffen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","242","","41","46","10.1002/zaac.19392420104","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010162","3.876","","3.876","","12.47","","90","","90","","90","","187.3","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Lithium tribismuth tetraoxide dibromide","","- Bi3 Br2 Li O4 -","- Bi3 Br2 Li O4 -","- Bi3 Br2 Li O4 -","1","0.03125","","Sillen, L G","Roentgenuntersuchung von Li Bi~3~ O~4~ Cl~2~ und verwandten Stoffen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","242","","41","46","10.1002/zaac.19392420104","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010163","3.925","","3.925","","12.55","","90","","90","","90","","193.3","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sodium tribismuth tetraoxide dibromide","","- Bi3 Br2 Na O4 -","- Bi3 Br2 Na O4 -","- Bi3 Br2 Na O4 -","1","0.03125","","Sillen, L G","Roentgenuntersuchung von Li Bi~3~ O~4~ Cl~2~ und verwandten Stoffen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","242","","41","46","10.1002/zaac.19392420104","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010164","3.943","","3.943","","12.62","","90","","90","","90","","196.2","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Dicadmium dibismuth tetraoxide dibromide","","- Bi2 Br2 Cd2 O4 -","- Bi2 Br2 Cd2 O4 -","- Bi2 Br2 Cd2 O4 -","1","0.03125","","Sillen, L G","Roentgenuntersuchung von Li Bi~3~ O~4~ Cl~2~ und verwandten Stoffen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","242","","41","46","10.1002/zaac.19392420104","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010165","3.941","","3.941","","13.19","","90","","90","","90","","204.9","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Lithium tribismuth tetraoxide diiodide","","- Bi3 I2 Li O4 -","- Bi3 I2 Li O4 -","- Bi3 I2 Li O4 -","1","0.03125","","Sillen, L G","Roentgenuntersuchung von Li Bi~3~ O~4~ Cl~2~ und verwandten Stoffen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","242","","41","46","10.1002/zaac.19392420104","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010166","3.99","","3.99","","13.31","","90","","90","","90","","211.9","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sodium tribismuth tetraoxide diiodide","","- Bi3 I2 Na O4 -","- Bi3 I2 Na O4 -","- Bi3 I2 Na O4 -","1","0.03125","","Sillen, L G","Roentgenuntersuchung von Li Bi~3~ O~4~ Cl~2~ und verwandten Stoffen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","242","","41","46","10.1002/zaac.19392420104","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010167","3.807","0.004","3.807","0.004","3.807","0.004","90","","90","","90","","55.2","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Copper(I) nitride","","- Cu3 N -","- Cu3 N -","- Cu3 N -","1","0.0208333","","Juza, R; Hahn, H","Ueber die Kristallstrukturen von Cu~3~ N, Ga N und In N","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","239","","282","287","10.1002/zaac.19382390307","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010168","3.18","0.004","3.18","0.004","5.166","0.005","90","","90","","120","","45.2","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Gallium nitride","","- Ga N -","- Ga N -","- Ga2 N2 -","2","0.166667","","Juza, R; Hahn, H","Ueber die Kristallstrukturen von Cu~3~ N, Ga N und In N","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","239","","282","287","10.1002/zaac.19382390307","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010169","3.533","0.004","3.533","0.004","5.693","0.004","90","","90","","120","","61.5","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Indium nitride","","- In N -","- In N -","- In2 N2 -","2","0.166667","","Juza, R; Hahn, H","Ueber die Kristallstrukturen von Cu~3~ N, Ga N und In N","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","239","","282","287","10.1002/zaac.19382390307","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010170","8.6","0.002","8.6","0.002","8.6","0.002","90","","90","","90","","636.1","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Thorium phosphide","","- P4 Th3 -","- P4 Th3 -","- P16 Th12 -","4","0.0833333","","Meisel, K","Kristallstrukturen von Thoriumphosphiden","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","240","","300","312","10.1002/zaac.19392400403","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010171","9.3","","9.3","","9.3","","90","","90","","90","","804.4","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Rubidium oxide (4/6)","","- O6 Rb4 -","- O7 Rb4 -","- O28 Rb16 -","4","0.0833333","","Helms, A; Klemm, W","Ueber die Kristallstrukturen der Rubidium- und Caesiumsesquioxyde","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","242","","201","214","10.1002/zaac.19392420210","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010172","9.86","","9.86","","9.86","","90","","90","","90","","958.6","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Caesium oxide (4/6)","","- Cs4 O6 -","- Cs4 O7 -","- Cs16 O28 -","4","0.0833333","","Helms, A; Klemm, W","Ueber die Kristallstrukturen der Rubidium- und Caesiumsesquioxyde","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","242","","201","214","10.1002/zaac.19392420210","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010173","9.983","0.003","9.983","0.003","9.983","0.003","90","","90","","90","","994.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium hexachlorostannate","","- Cl6 K2 Sn -","- Cl6 K2 Sn -","- Cl24 K8 Sn4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010174","10.038","0.002","10.038","0.002","10.038","0.002","90","","90","","90","","1011.4","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium hexachlorostannate","","- Cl6 H8 N2 Sn -","- Cl6 H8 N2 Sn -","- Cl24 H32 N8 Sn4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010175","10.099","0.002","10.099","0.002","10.099","0.002","90","","90","","90","","1030","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium hexachlorostannate","","- Cl6 Rb2 Sn -","- Cl6 Rb2 Sn -","- Cl24 Rb8 Sn4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010176","10.347","0.002","10.347","0.002","10.347","0.002","90","","90","","90","","1107.8","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexachlorostannate","","- Cl6 Cs2 Sn -","- Cl6 Cs2 Sn -","- Cl24 Cs8 Sn4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010177","9.97","0.003","9.97","0.003","9.97","0.003","90","","90","","90","","991","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Thallium hexachlorostannate","","- Cl6 Sn Tl2 -","- Cl6 Sn Tl2 -","- Cl24 Sn4 Tl8 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010178","10.135","","10.135","","10.135","","90","","90","","90","","1041","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium hexachloroplumbate","","- Cl6 H8 N2 Pb -","- Cl6 H8 N2 Pb -","- Cl24 H32 N8 Pb4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010179","10.195","0.002","10.195","0.002","10.195","0.002","90","","90","","90","","1059.6","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium hexachloroplumbate","","- Cl6 Pb Rb2 -","- Cl6 Pb Rb2 -","- Cl24 Pb4 Rb8 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010180","10.416","","10.416","","10.416","","90","","90","","90","","1130.1","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexachloroplumbate","","- Cl6 Cs2 Pb -","- Cl6 Cs2 Pb -","- Cl24 Cs8 Pb4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010181","9.834","0.002","9.834","0.002","9.834","0.002","90","","90","","90","","951","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium hexachloroplatinate","","- Cl6 H8 N2 Pt -","- Cl6 H8 N2 Pt -","- Cl24 H32 N8 Pt4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010182","9.884","0.002","9.884","0.002","9.884","0.002","90","","90","","90","","965.6","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium hexachloroplatinate","","- Cl6 Pt Rb2 -","- Cl6 Pt Rb2 -","- Cl24 Pt4 Rb8 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010183","10.192","0.003","10.192","0.003","10.192","0.003","90","","90","","90","","1058.7","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexachloroplatinate","","- Cl6 Cs2 Pt -","- Cl6 Cs2 Pt -","- Cl24 Cs8 Pt4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010184","9.755","0.002","9.755","0.002","9.755","0.002","90","","90","","90","","928.3","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Thallium hexachloroplatinate","","- Cl6 Pt Tl2 -","- Cl6 Pt Tl2 -","- Cl24 Pt4 Tl8 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010185","9.935","0.003","9.935","0.003","9.935","0.003","90","","90","","90","","980.6","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium hexachloroselenate(IV)","","- Cl6 H8 N2 Se -","- Cl6 H8 N2 Se -","- Cl24 H32 N8 Se4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010186","9.978","0.003","9.978","0.003","9.978","0.003","90","","90","","90","","993.4","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium hexachloroselenate(IV)","","- Cl6 Rb2 Se -","- Cl6 Rb2 Se -","- Cl24 Rb8 Se4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010187","10.26","0.003","10.26","0.003","10.26","0.003","90","","90","","90","","1080","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexachloroselenate(IV)","","- Cl6 Cs2 Se -","- Cl6 Cs2 Se -","- Cl24 Cs8 Se4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010188","7.17","","7.17","","10.14","","90","","90","0","90","","521.3","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Potassium hexachlorotellurate(IV)","","- Cl6 K2 Te -","- Cl6 K2 Te -","- Cl12 K4 Te2 -","2","0.25","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010189","10.178","0.004","10.178","0.004","10.178","0.004","90","","90","","90","","1054.4","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium hexachlorotellurate(IV)","","- Cl6 H8 N2 Te -","- Cl6 H8 N2 Te -","- Cl24 H32 N8 Te4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010190","10.233","0.002","10.233","0.002","10.233","0.002","90","","90","","90","","1071.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium hexachlorotellurate(IV)","","- Cl6 Rb2 Te -","- Cl6 Rb2 Te -","- Cl24 Rb8 Te4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010191","10.445","0.003","10.445","0.003","10.445","0.003","90","","90","","90","","1139.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexachlorotellurate(IV)","","- Cl6 Cs2 Te -","- Cl6 Cs2 Te -","- Cl24 Cs8 Te4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010192","10.107","0.004","10.107","0.004","10.107","0.004","90","","90","","90","","1032.4","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Thallium hexachlorotellurate(IV)","","- Cl6 Te Tl2 -","- Cl6 Te Tl2 -","- Cl24 Te4 Tl8 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010193","9.922","0.004","9.922","0.004","9.922","0.004","90","","90","","90","","976.8","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium hexachlorotitanate","","- Cl6 Rb2 Ti -","- Cl6 Rb2 Ti -","- Cl24 Rb8 Ti4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010194","10.219","0.003","10.219","0.003","10.219","0.003","90","","90","","90","","1067.1","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexachlorotitanate","","- Cl6 Cs2 Ti -","- Cl6 Cs2 Ti -","- Cl24 Cs8 Ti4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010195","10.178","0.004","10.178","0.004","10.178","0.004","90","","90","","90","","1054.4","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium hexachlorozirconate","","- Cl6 Rb2 Zr -","- Cl6 Rb2 Zr -","- Cl24 Rb8 Zr4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010196","10.407","0.005","10.407","0.005","10.407","0.005","90","","90","","90","","1127.1","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexachlorozirconate","","- Cl6 Cs2 Zr -","- Cl6 Cs2 Zr -","- Cl24 Cs8 Zr4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010197","7.78","","8.5","","8.08","","90","","90","","90","","534.3","","","","","","","","","","","","","4","I m a m","-I 2c 2","74","","Diamminezinc chloride","","- Cl2 H6 N2 Zn -","- Cl2 H6 N2 Zn -","- Cl8 H24 N8 Zn4 -","4","0.25","","MacGillavry, C H; Bijvoet, J M","Die Kristallstrukturen von Zn (N H~3~)~2~ Cl~2~ und Zn (N H~3~)~2~ Br~2~.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","249","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010198","8.12","","8.81","","8.41","","90","","90","","90","","601.6","","","","","","","","","","","","","4","I m a m","-I 2c 2","74","","Diamminezinc bromide","","- Br2 H6 N2 Zn -","- Br2 H6 N2 Zn -","- Br8 H24 N8 Zn4 -","4","0.25","","MacGillavry, C H; Bijvoet, J M","Die Kristallstrukturen von Zn (N H~3~)~2~ Cl~2~ und Zn (N H~3~)~2~ Br~2~.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","249","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010199","7.95","0.03","7.95","0.03","7.95","0.03","97","0.33","97","0.33","97","0.33","490.2","","","","","","","","","","","","","4","R -3 c :R","-P 3* 2n","167","","Chromium chloride hexahydrate","","- Cl3 Cr H12 O6 -","- Cl3 Cr H12 O6 -","- Cl6 Cr2 H24 O12 -","2","0.166667","","Andress, K R; Carpenter, C","Kristallhydrate. II.Die Struktur von Chromchlorid- und Aluminiumchloridhexahydrat.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","87","","446","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010200","7.72","","7.72","","7.72","","90","","90","","90","","460.1","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Tetraamminetitanium chloride - $-beta","","- Cl4 H12 N4 Ti -","- Cl4 H12 N4 Ti -","- Cl8 H24 N8 Ti2 -","2","0.0625","","Brager, A","An X-Ray Examination of Titanium Nitride. II.","Acta Physicochimica (USSR)","1939","10","","887","902","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010201","7.49","0.02","7.49","0.02","10.87","0.02","90","","90","","90","","609.8","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Dicaesium gold hexachloroaurate","","- Au2 Cl6 Cs2 -","- Au2 Cl6 Cs2 -","- Au4 Cl12 Cs4 -","2","0.0625","","Elliott, N; Pauling, L","The Crystal Structure of Cesium Aurous Auric Chloride, Vs~2~ Au Au Cl~6~, and Cesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~","Journal of the American Chemical Society","1938","60","","1846","1851","10.1021/ja01275a037","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010202","7.38","0.02","7.38","0.02","11.01","0.02","90","","90","","90","","599.7","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Dicaesium silver hexachloroaurate","","- Ag Au Cl6 Cs2 -","- Ag Au Cl6 Cs2 -","- Ag2 Au2 Cl12 Cs4 -","2","0.0625","","Elliott, N; Pauling, L","The Crystal Structure of Cesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~, and Cesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~","Journal of the American Chemical Society","1938","60","","1846","1851","10.1021/ja01275a037","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010203","8.38","0.02","5.97","0.02","8.41","0.02","90","","90","","90","","420.7","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Potassium dioxodifluoroiodate","","- F2 I K O2 -","- F2 I K O2 -","- F8 I4 K4 O8 -","4","1","","Helmholz, L; Rogers, M T","The Crystal Structure of Potassium Fluoroiodate, K I O~2~ F~2~","Journal of the American Chemical Society","1940","62","","1537","1542","10.1021/ja01863a058","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010204","11.73","0.02","11.73","0.02","6.76","0.02","90","","90","","120","","805.5","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Neodymium tris(bromate) nonahydrate","","- Br3 H18 Nd O18 -","- Br3 H18 Nd O18 -","- Br6 H36 Nd2 O36 -","2","0.166667","","Helmholz, L","The Crystal Structure of Neodymium Enneahydrate, Nd (Br O~3~)~3~ (H~2~ O)~9~","Journal of the American Chemical Society","1939","61","","1544","1550","10.1021/ja01875a062","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010205","4.75","","4.75","","4.75","","97.97","","97.97","","97.97","","103.7","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Barium hexafluorosilicate","","- Ba F6 Si -","- Ba F6 Si -","- Ba F6 Si -","1","0.0833333","","Hoard, J L; Vincent, W B","Structures of Complex Fluorides. Barium Fluorosilicate and Barium Fluorogermanate","Journal of the American Chemical Society","1940","62","","3126","3129","10.1021/ja01868a060","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010206","4.83","","4.83","","4.83","","98.02","","98.02","","98.02","","109","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Barium hexafluorogermanate","","- Ba F6 Ge -","- Ba F6 Ge -","- Ba F6 Ge -","1","0.0833333","","Hoard, J L; Vincent, W B","Structures of Complex Fluorides. Barium Fluorosilicate and Barium Fluorogermanate","Journal of the American Chemical Society","1940","62","","3126","3129","10.1021/ja01868a060","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010207","9.51","","11.93","","4.23","","90","","90","0","90","","479.9","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Potassium tetrabromoaurate dihydrate","","- Au Br4 H4 K O2 -","- Au Br4 H4 K O2 -","- Au2 Br8 H8 K2 O4 -","2","0.5","","Cox, E. G.; Webster, K. C.","The Stereochemistry of Quadricovalent Atoms: Tervalent Gold","Journal of the Chemical Society","1936","1936","","1635","1637","10.1039/JR9360001635","","","","","","","","","","","","","","","","","","","","","has coordinates","188738","2020-10-21","18:00:00",""
"1010208","6.29","0.02","6.29","0.02","6.42","0.02","90","","90","","90","","254","","","","","","","","","","","","","4","P 4","P 4","75","","Platinum tetraamminetetrachloroplatinate(II)","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","1","0.25","","Vox, E G; Pinkard, F W; Wardlaw, W; Preston, G H","The Green Salt of Magnus, and Some Related Compounds","Journal of the Chemical Society","1932","1932","","2527","2534","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010209","9.58","","9.58","","9.58","","83.93","","83.93","","83.93","","865.4","","","","","","","","","","","","","3","R -3 c RS","","167","","Caesium nonachlorodithallate","","- Cl9 Cs3 Tl2 -","- Cl9 Cs3 Tl2 -","- Cl18 Cs6 Tl4 -","2","","","Powell, H M; Wells, A F","Complex-anion Formation by Tervalent Elements: The Structure of Caesium Thallic Enneachloride","Journal of the Chemical Society","1935","1935","","1008","1012","","","","","","","","","","","","","","","","","","","","","","has coordinates","277832","2022-09-14","15:07:16",""
"1010210","8.39","","8.39","","14.34","","90","","90","","90","","1009.4","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Ammonium pentabromodiplumbate(II)","","- Br5 H4 N Pb2 -","- Br5 H4 N Pb2 -","- Br20 H16 N4 Pb8 -","4","0.125","","Powell, H M; Tasker, H S","The Valency Angle of Bivalent Lead: The Crystal Structure of Ammonium, Rubidium, and Potassium Pentabromodiplumbites","Journal of the Chemical Society","1937","1937","","119","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010211","8.41","","8.41","","14.5","","90","","90","","90","","1025.6","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Rubidium pentabromodiplumbate(II)","","- Br5 Pb2 Rb -","- Br5 Pb2 Rb -","- Br20 Pb8 Rb4 -","4","0.125","","Powell, H M; Tasker, H S","The Valency Angle of Bivalent Lead: The Crystal Structure of Ammonium, Rubidium, and Potassium Pentabromodiplumbites","Journal of the Chemical Society","1937","1937","","119","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010212","7.094","0.004","7.094","0.004","4.859","0.004","90","","90","","120","","211.8","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Lanthanum fluoride carbonate","","- C F La O3 -","- C F La O3 -","- C3 F3 La3 O9 -","3","0.25","","Oftedal, I","Ueber die Kristallstruktur von Bastnaesit.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","72","","239","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010213","7.09","","7.09","","7.09","","96.75","","96.75","","96.75","","348.3","","","","","","","","","","","","","5","R -3 :R","-P 3*","148","","Nickel hexachlorostannate hexahydrate","","- Cl6 H12 Ni O6 Sn -","- Cl6 H12 Ni O6 Sn -","- Cl6 H12 Ni O6 Sn -","1","0.166667","","Pauling, L","On the crystal structure of nickel chlorostannate hexahydrate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","72","","482","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010214","6.48","","7.06","","7.08","","90","","90","","90","","323.9","","","","","","","","","","","","","3","B b m m","-B 2 2b","63","","Sodium chlorate(VII)","","- Cl Na O4 -","- Cl Na O4 -","- Cl4 Na4 O16 -","4","0.25","","Zachariasen, W H","The Crystal Structure of Sodium Perchlorate, Na Cl O~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","73","","141","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010215","7.73","","7.73","","5.01","","90","","90","","90","","299.4","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Dicalcium magnesium disilicate","","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Warren, B E","The Structure of Melitite (Ca, Na)~2~ (Mg, Al)~1~ (Si, Al)~2~ O~7~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","74","","131","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010216","6.57","0.006","6.57","0.006","6.57","0.006","90","","90","","90","","283.6","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium chlorate","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","0.333333","","Zachariasen, W H","The Crystal Structure of Sodium Chlorate.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1929","71","","517","529","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010217","4.647","0.004","5.585","0.005","7.085","0.007","90","","109.63","0.08","90","","173.2","","","","","","","","","","","","","3","P 1 21/m 1 (a,b-1/4,c)","-P 2yb (x,y+1/4,z)","11","","Potassium chlorate","","- Cl K O3 -","- Cl K O3 -","- Cl2 K2 O6 -","2","","","Zachariasen, W. H.","The Crystal Structure of Potassium Chlorate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1929","71","","501","516","10.1524/zkri.1929.71.1.501","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010230","7.17","","7.17","","10.14","","90","","90","0","90","","521.3","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Potassium hexachlorotellurate(IV)","","- Cl6 K2 Te -","- Cl6 K2 Te -","- Cl12 K4 Te2 -","2","0.25","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010235","9.725","0.002","9.725","0.002","9.725","0.002","90","","90","","90","","919.7","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium hexachloroplatinate","","- Cl6 K2 Pt -","- Cl6 K2 Pt -","- Cl24 K8 Pt4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Hexachlorokomplexsalze.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","341","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010243","6.64","0.03","9.66","0.05","10.82","0.05","90","","90","","90","","694","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Ammonium trio-triiodide","","- H4 I3 N -","- H4 I3 N -","- H16 I12 N4 -","4","0.5","","Mooney, R C L","The Configuration of the Triiodide Group in Ammonium Triiodide Crystals.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","143","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010244","9.77","0.04","13.63","0.04","5.76","0.02","90","","90","","90","","767","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Potassium $-mue-thio-bis(trioxosulfate)","","- K2 O6 S3 -","- K2 O6 S3 -","- K8 O24 S12 -","4","0.5","","Zachariasen, W H","The Atomic Arrangement in Potassium Trithionate Crystals K~2~ S~3~ O~6~ and the Structure of the Trithionate Radical (S~3~ O~6~)^-2^","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","89","","529","537","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1010245","5.963","0.005","12.735","0.005","4.325","0.005","90","","90","","90","","328.4","","","","","","","","","","","","","2","P m n b S","","62","","Mercury chloride","","- Cl2 Hg -","- Cl2 Hg -","- Cl8 Hg4 -","4","","","Braekken, H; Scholten, W","Die Kristallstruktur des Quecksilberchlorids Hg Cl~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","89","","448","455","","","","","","","","","","","","","","","","","","","","","","has coordinates","277832","2022-09-14","15:07:16",""
"1010246","5.43","","4.83","","8.14","","90","","107.58","","90","","203.5","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Lithium sulfate hydrate","","- H2 Li2 O5 S -","- H2 Li2 O5 S -","- H4 Li4 O10 S2 -","2","1","","Ziegler, G E","The Crystal Structure of Lithium Sulphate Mono-Hydrate, Li~2~ S O~4~ (H~2~ O)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","89","","456","461","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010247","7.83","0.04","8.04","0.04","6.13","0.04","90","","95.15","","90","","384.3","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ammonium $-mue-peroxo-bis(trioxosulfate)","","- H8 N2 O8 S2 -","- H8 N2 O8 S2 -","- H16 N4 O16 S4 -","2","0.5","","Zachariasen, W H; Mooney, R C L","The Atomic Arrangement in Ammonium and Caesium Persulphate (N H~4~)~2~ S~2~ O~8~ and Cs~2~ S~2~ O~8~, and the Structure of the Persulphate Group.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","63","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","287670","2023-11-17","14:28:47",""
"1010248","8.13","0.04","8.33","0.04","6.46","0.04","90","","95.32","","90","","435.6","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Caesium $-mue-peroxo-bis(trioxosulfate)","","- Cs2 O8 S2 -","- Cs2 O8 S2 -","- Cs4 O16 S4 -","2","0.5","","Zachariasen, W H; Mooney, G C L","The Atomic Arrangement in Ammonium and Caesium Persulphate (N H~4~)~2~ S~2~ O~8~ and Cs~2~ S~2~ O~8~, and the Structure of the Persulphate Group.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","63","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1010249","6.011","","6.011","","4.009","","90","","90","","90","","144.9","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Ammonium hydrogensulfide","","- H5 N S -","- H5 N S -","- H10 N2 S2 -","2","0.125","","West, C D","The Crystal Structures of Some Alkali Hydrosulfides and Monosulfides.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","97","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010250","4.374","","4.374","","4.374","","68.85","","68.85","","68.85","","70.2","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Potassium hydrogensulfide","","- H K S -","- H K S -","- H K S -","1","0.0833333","","West, C. D.","The Crystal Structures of Some Alkali Hydrosulfides and Monosulfides.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","97","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","287670","2023-11-17","14:28:49",""
"1010251","3.99","","3.99","","3.99","","68.08","","68.08","","68.08","","52.6","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Sodium hydrogensulfide","","- H Na S -","- H Na S -","- H Na S -","1","0.0833333","","West, C D","The Crystal Structures of Some Alkali Hydrosulfides and Monosulfides.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","97","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010252","4.53","","4.53","","4.53","","69.33","","69.33","","69.33","","78.6","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Rubidium hydrogensulfide","","- H Rb S -","- H Rb S -","- H Rb S -","1","0.0833333","","West, C D","The Crystal Structures of Some Alkali Hydrosulfides and Monosulfides.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","97","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010253","7.71","","7.71","","5.42","","90","","90","","120","","279","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Lithium chlorate(VII) trihydrate","","- Cl H6 Li O7 -","- Cl H6 Li O7 -","- Cl2 H12 Li2 O14 -","2","0.166667","","West, C D","Crystal Structures of some Hydrated Compounds.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","198","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010254","7.45","","7.45","","5.45","","90","","90","","120","","262","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Lithium iodide trihydrate","","- H6 I Li O3 -","- H6 I Li O3 -","- H12 I2 Li2 O6 -","2","0.166667","","West, C D","Crystal Structures of some Hydrated Compounds.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","198","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010255","5.8","0.1","10.2","0.1","7.5","0.1","90","","90","","90","","443.7","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Diammonium beryllium fluoride","","- Be F4 H8 N2 -","- Be F4 H8 N2 -","- Be4 F16 H32 N8 -","4","0.5","","Hultgren, R.","The Crystal Structure of Ammonium Beryllium Fluoride, (N H~4~)~2~ Be F~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","233","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","287670","2023-11-17","14:28:49",""
"1010256","7.83","","7.83","","7.83","","90","","90","","90","","480","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Telluric(VI) acid","","- H6 O6 Te -","- H6 O6 Te -","- H24 O24 Te4 -","4","0.0208333","","Gossner, B; Kraus, O","Das Kristallgitter der Tellursaeure Te O~6~ H~6~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","298","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010257","10.25","0.03","7.4","0.03","6.3","0.03","90","","93.5","0.33","90","","477","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Magnesium bromide hexahydrate","","- Br2 H12 Mg O6 -","- Br2 H12 Mg O6 -","- Br4 H24 Mg2 O12 -","2","0.25","","Andress, K R; Gundermann, J","Die Struktur von Magnesiumchlorid- und Magnesiumbromidhexahydrat.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","87","","345","369","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010258","10.46","0.02","10.46","0.02","10.46","0.02","90","","90","","90","","1144.4","","","","","","","","","","","","","4","F m -3","-F 2 2 3","202","","Potassium hexanitrocobaltate","","- Co K3 N6 O12 -","- Co K3 N6 O12 -","- Co4 K12 N24 O48 -","4","0.0416667","","van Driel, M; Verweel, H J","Ueber die Struktur der Tripelnitrite.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","308","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010259","10.78","0.02","10.78","0.02","10.78","0.02","90","","90","","90","","1252.7","","","","","","","","","","","","","4","F m -3","-F 2 2 3","202","","Ammonium hexanitrocobaltate","","- Co H12 N9 O12 -","- Co H12 N9 O12 -","- Co4 H48 N36 O48 -","4","0.0416667","","van Driel, M; Verweel, H J","Ueber die Struktur der Tripelnitrite.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","308","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010260","10.34","0.02","10.34","0.02","10.34","0.02","90","","90","","90","","1105.5","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","Dipotassium calcium hexanitroniccolate","","- Ca K2 N6 Ni O12 -","- Ca K2 N6 Ni O12 -","- Ca4 K8 N24 Ni4 O48 -","4","0.0416667","","van Driel, M; Verweel, H J","Ueber die Struktur der Tripelnitrite.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","308","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010261","10.65","0.02","10.65","0.02","10.65","0.02","90","","90","","90","","1207.9","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","Dipotassium lead hexanitrocuprate","","- Cu K2 N6 O12 Pb -","- Cu K2 N6 O12 Pb -","- Cu4 K8 N24 O48 Pb4 -","4","0.0416667","","van Driel, M; Verweel, H J","Ueber die Struktur der Tripelnitrite.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","308","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010262","3.505","0.007","6.14","0.01","5.16","0.02","90","","90","","90","","111","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Silver nitrate(III)","","- Ag N O2 -","- Ag N O2 -","- Ag2 N2 O4 -","2","0.25","","Ketelaar, J A A","Die Kristallstruktur des Silbernitrits.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","383","393","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010263","3.66","","3.66","","10.27","","90","","90","","120","","119.1","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Cadmium hydroxochloride","","- Cd Cl H O -","- Cd Cl H2 O -","- Cd2 Cl2 H4 O2 -","2","0.166667","","Hoard, J L; Grenko, J D","The Crystal Structure of Cadmium Hydroxychloride, Cd O H Cl","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","87","","110","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010264","9.861","0.003","9.861","0.003","9.861","0.003","90","","90","","90","","958.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium hexachlororhenate(IV)","","- Cl6 K2 Re -","- Cl6 K2 Re -","- Cl24 K8 Re4 -","4","0.0208333","","Aminoff, B","Ueber die Kristallstruktur von K~2~ Re Cl~6~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","246","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010265","3.72","","14.61","","3.67","","90","","90","","90","","199.5","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Zirconium silicide (1/2)","","- Si2 Zr -","- Si2 Zr -","- Si8 Zr4 -","4","0.25","","Naray-Szabo, S","Die Struktur des Zirkoniumsilicids Zr Si~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","97","","223","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010266","13.63","","13.63","","13.63","","90","","90","","90","","2532.1","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","Aluminium catena-phosphate","","- Al O9 P3 -","- Al O9 P3 -","- Al16 O144 P48 -","16","0.333333","","Pauling, L; Sherman, J","The Crystal Structure of Aluminum Metaphosphate, Al (P O~3~)~3~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","481","487","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010267","3.173","0.002","3.173","0.002","4.64","0.004","90","","90","","120","","40.5","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cobalt hydroxide","","- Co H2 O2 -","- Co H2 O2 -","- Co H2 O2 -","1","0.0833333","","Lotmar, W.; Feitknecht, W.","Über Änderungen der Ionenabstände in Hydroxyd-Schichtengittern","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","93","","368","378","10.1524/zkri.1936.93.1.368","","","","","","","","","","","","","","","","","","","","","has coordinates","205126","2020-10-21","18:00:00",""
"1010268","4.45","","4.99","","7.31","","90","","114.83","","90","","147.3","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Potassium nitrate(III)","","- K N O2 -","- K N O2 -","- K2 N2 O4 -","2","0.5","","Ziegler, G E","The Crystal Structure of Potassium Nitrite, K N O~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","491","499","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010269","8.32","","9.64","","4.82","","90","","90","","90","","386.6","","","","","","","","","","","","","2","P 21 21 2","P 2 2ab","18","","Barium trio-trisulfide","","- Ba S3 -","- Ba S3 -","- Ba4 S12 -","4","1","","Miller, W S; King, A J","The Structure of Polysulfides: I. Barium Trisulfide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","439","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010270","6.97","","6.97","","10.43","","90","","90","","90","","506.7","","","","","","","","","","","","","5","P 4/n n c :1","P 4 2 -1n","126","","Silver diamminetetranitrocobaltate","","- Ag Co H6 N6 O8 -","- Ag Co H6 N6 O8 -","- Ag2 Co2 H12 N12 O16 -","2","0.125","","Wells, A. F.","The Crystal Structure of Silver Diammino-Tetranitro- cobaltiate (Ag(Co(NH~3~)~2~(N O~2~)~4~))","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","74","82","10.1524/zkri.1936.95.1.74","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010271","8.93","0.003","8.642","0.003","3.8","0.002","90","","90","","90","","293.3","","","","","","","","","","","","","2","P m a n","-P 2ab 2","53","","Ammonium azide","","- H4 N4 -","- H4 N4 -","- H16 N16 -","4","0.5","","Frevel, L. K.","The Crystal Structure of Ammonium Azide, NH~4~N~3~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","1-6","197","211","10.1524/zkri.1936.94.1.197","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010272","5.6","","5.53","","9.55","","90","","90","","90","","295.7","","","","","","","","","","","","","2","I b a m (b,c,a+1/4)","-I 2 2c (y,z-1/4,x)","72","","Silicon catena-sulfide","","- S2 Si -","- S2 Si -","- S8 Si4 -","4","","","Zintl, E.; Loosen, K.","Siliciumdisulfid, ein anorganischer Faserstoff mit Kettenmolekülen","Zeitschrift fuer Physikalische Chemie, Abteilung A: Chemische Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre","1935","174","1","301","311","10.1515/zpch-1935-17428","","","","","","","","","","","","","","","","","","","","","has coordinates","297500","2025-01-28","09:45:51",""
"1010273","3.28","","3.28","","21.55","","90","","90","","120","","200.8","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Aluminium tricarbide nitride","","- C3 Al5 N -","- C3 Al5 N -","- C6 Al10 N2 -","2","0.166667","","Stackelberg, M von; Spiess, K F","Die Struktur des Aluminiumcarbonitrids Al~5~ C~3~ N","Zeitschrift fuer Physikalische Chemie, Abteilung A: Chemische Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre","1935","175","","140","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010274","4.39","0.04","4.39","0.04","7.02","0.06","90","","90","","120","","117.2","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Ammonium fluoride","","- F H4 N -","- F H4 N -","- F2 H8 N2 -","2","0.166667","","Zachariasen, W H","Die Kristallstruktur des Ammoniumfluorids.","Zeitschrift fuer Physikalische Chemie (Leipzig)","1927","127","","218","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010275","3.397","0.003","3.397","0.003","5.691","0.01","90","","90","","120","","56.9","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Titanium sulfide","","- S2 Ti -","- S2 Ti -","- S2 Ti -","1","0.0833333","","Oftedal, I","Roentgenographische Untersuchungen von Sn S~2~, Ti S~2~, Ti Se~2~, Ti Te~2~","Zeitschrift fuer Physikalische Chemie (Leipzig)","1928","134","","301","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1010276","3.533","0.003","3.533","0.003","5.995","0.01","90","","90","","120","","64.8","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Titanium selenide","","- Se2 Ti -","- Se2 Ti -","- Se2 Ti -","1","0.0833333","","Oftedal, I","Roentgenographische Untersuchungen von Sn S~2~, Ti S~2~, Ti Se~2~, Ti Te~2~","Zeitschrift fuer Physikalische Chemie (Leipzig)","1928","134","","301","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010277","3.774","0.003","3.774","0.003","6.539","0.01","90","","90","","120","","80.7","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Titanium telluride","","- Te2 Ti -","- Te2 Ti -","- Te2 Ti -","1","0.0833333","","Oftedal, I","Roentgenographische Untersuchungen von Sn S~2~, Ti S~2~, Ti Se~2~, Ti Te~2~","Zeitschrift fuer Physikalische Chemie (Leipzig)","1928","134","","301","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010278","3.93","","3.93","","6.12","","90","","90","","120","","81.9","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Lanthanum oxide - $-alpha","","- La2 O3 -","- La2 O3 -","- La2 O3 -","1","0.166667","","Zachariasen, W H","Die Kristallstruktur der A-Modifikation von den Sesquioxyden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ )","Zeitschrift fuer Physikalische Chemie (Leipzig)","1926","123","","134","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010279","3.88","","3.88","","6.06","","90","","90","","120","","79","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Cerium oxide - $-alpha","","- Ce2 O3 -","- Ce2 O3 -","- Ce2 O3 -","1","0.166667","","Zachariasen, W H","Die Kristallstruktur der A-Modifikation von den Sesquioxiden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ )","Zeitschrift fuer Physikalische Chemie (Leipzig)","1926","123","","134","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010280","3.85","","3.85","","6","","90","","90","","120","","77","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Praseodymium oxide - A","","- O3 Pr2 -","- O3 Pr2 -","- O3 Pr2 -","1","0.166667","","Zachariasen, W H","Die Kristallstruktur der A-Modifikation von den Sesquioxiden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ )","Zeitschrift fuer Physikalische Chemie (Leipzig)","1926","123","","134","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010281","3.84","","3.84","","6.01","","90","","90","","120","","76.7","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Neodymium oxide - A","","- Nd2 O3 -","- Nd2 O3 -","- Nd2 O3 -","1","0.166667","","Zachariasen, W H","Die Kristallstruktur der A-Modifikation von den Sesquioxiden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ )","Zeitschrift fuer Physikalische Chemie (Leipzig)","1926","123","","134","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010282","3.2","0.005","3.2","0.005","7.861","0.005","90","","90","","90","","80.5","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Molybdenum silicide (1/2)","","- Mo Si2 -","- Mo Si2 -","- Mo2 Si4 -","2","0.0625","","Zachariasen, W H","Ueber die Kristallstruktur von Mo Si~2~ und W Si~2~","Zeitschrift fuer Physikalische Chemie (Leipzig)","1927","128","","39","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010283","3.212","0.005","3.212","0.005","7.88","0.005","90","","90","","90","","81.3","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Tungsten silicide (1/2)","","- Si2 W -","- Si2 W -","- Si4 W2 -","2","0.0625","","Zachariasen, W H","Ueber die Kristallstruktur von Mo Si~2~ und W Si~2~","Zeitschrift fuer Physikalische Chemie (Leipzig)","1927","128","","39","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010284","5.05","","5.05","","5.05","","40.03","","40.03","","40.03","","48","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Sodium hydrogen fluoride","","- F2 H Na -","- F2 H Na -","- F2 H Na -","1","0.166667","","Andersen, C C; Hassel, O","Die Struktur des kristallisierten Natriumhydrofluorids und die Gestalt des Ions H F~2~^-^","Zeitschrift fuer Physikalische Chemie (Leipzig)","1926","123","","151","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010285","8.89","0.01","8.89","0.01","8.89","0.01","90","","90","","90","","702.6","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexafluorosilicate","","- Cs2 F6 Si -","- Cs2 F6 Si -","- Cs8 F24 Si4 -","4","0.0208333","","Schuetz, W","Die kristallchemische Verwandtschaft zwischen Germanium und Silicium.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1936","31","","292","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010286","8.99","0.01","8.99","0.01","8.99","0.01","90","","90","","90","","726.6","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexafluorogermanate","","- Cs2 F6 Ge -","- Cs2 F6 Ge -","- Cs8 F24 Ge4 -","4","0.0208333","","Schuetz, W","Die kristallchemische Verwandtschaft zwischen Germanium und Silicium.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1936","31","","292","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010287","8.097","0.02","8.097","0.02","11.45","0.03","90","","90","","90","","750.7","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","Zinc phosphide","","- P2 Zn3 -","- P2 Zn3 -","- P16 Zn24 -","8","0.5","","Stackelberg, M von; Paulus, R","Untersuchungen an den Phosphiden und Arseniden des Zinks und Cadmiums. Das Zn~3~ P~2~ - Gitter.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1935","28","","427","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010288","4.387","","4.387","","7.81","","90","","90","","120","","130.2","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Lithium arsenide","","- As Li3 -","- As Li3 -","- As2 Li6 -","2","0.0833333","","Brauer, G; Zintl, E","Konstitution von Phosphiden, Arseniden, Antimoniden und Wismutiden des Lithiums, Natriums und Kaliums.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1937","37","","323","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010289","4.701","","4.701","","8.309","","90","","90","","120","","159","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Lithium antimonide - $-alpha","","- Li3 Sb -","- Li3 Sb -","- Li6 Sb2 -","2","0.0833333","","Brauer, G; Zintl, E","Konstitution von Phosphiden, Arseniden, Antimoniden und Wismutiden des Lithiums, Natriums und Kaliums.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1937","37","","323","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010290","4.264","","4.264","","7.579","","90","","90","","120","","119.3","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Lithium phosphide","","- Li3 P -","- Li3 P -","- Li6 P2 -","2","0.0833333","","Brauer, G; Zintl, E","Konstitution von Phosphiden, Arseniden, Antimoniden und Wismutiden des Lithiums, Natriums und Kaliums.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1937","37","","323","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010291","5.448","","5.448","","9.655","","90","","90","","120","","248.2","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Sodium bismuth (3/1)","","- Bi Na3 -","- Bi Na3 -","- Bi2 Na6 -","2","0.0833333","","Brauer, G; Zintl, E","Konstitution von Phosphiden, Arseniden, Antimoniden und Wismutiden des Lithiums, Natriums und Kaliums.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1937","37","","323","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010292","5.355","","5.355","","9.496","","90","","90","","120","","235.8","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Sodium antimonide","","- Na3 Sb -","- Na3 Sb -","- Na6 Sb2 -","2","0.0833333","","Brauer, G; Zintl, E","Konstitution von Phosphiden, Arseniden, Antimoniden und Wismutiden des Lithiums, Natriums und Kaliums.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1937","37","","323","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010293","5.088","","5.088","","8.982","","90","","90","","120","","201.4","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Sodium arsenide","","- As Na3 -","- As Na3 -","- As2 Na6 -","2","0.0833333","","Brauer, G; Zintl, E","Konstitution von Phosphiden, Arseniden, Antimoniden und Wismutiden des Lithiums, Natriums und Kaliums.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1937","37","","323","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010294","4.98","","4.98","","8.797","","90","","90","","120","","188.9","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Sodium phosphide","","- Na3 P -","- Na3 P -","- Na6 P2 -","2","0.0833333","","Brauer, G; Zintl, E","Konstitution von Phosphiden, Arseniden, Antimoniden und Wismutiden des Lithiums, Natriums und Kaliums.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1937","37","","323","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010295","6.178","","6.178","","10.933","","90","","90","","120","","361.4","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Potassium bismuth (3/1)","","- Bi K3 -","- Bi K3 -","- Bi2 K6 -","2","0.0833333","","Brauer, G; Zintl, E","Konstitution von Phosphiden, Arseniden, Antimoniden und Wismutiden des Lithiums, Natriums und Kaliums.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1937","37","","323","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010296","6.025","","6.025","","10.693","","90","","90","","120","","336.2","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Potassium antimonide","","- K3 Sb -","- K3 Sb -","- K6 Sb2 -","2","0.0833333","","Brauer, G; Zintl, E","Konstitution von Phosphiden, Arseniden, Antimoniden und Wismutiden des Lithiums, Natriums und Kaliums.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1937","37","","323","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010297","5.782","","5.782","","10.222","","90","","90","","120","","296","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Potassium arsenide","","- As K3 -","- As K3 -","- As2 K6 -","2","0.0833333","","Brauer, G; Zintl, E","Konstitution von Phosphiden, Arseniden, Antimoniden und Wismuthiden des Lithiums, Natriums und Kaliums.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1937","37","","323","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010298","3.765","","3.765","","5.518","","90","","90","","90","","78.2","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Iron selenide","","- Fe Se -","- Fe Se -","- Fe2 Se2 -","2","0.125","","Haegg, G; Kindstroem, A L","Roentgenuntersuchungen am System Eisen - Selen.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1933","22","","453","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1010299","4.332","0.006","4.332","0.006","6.64","0.008","90","","90","","90","","124.6","","","","","","","","","","","","","3","I -4","I -4","82","","Boron phosphate","","- B O4 P -","- B O4 P -","- B2 O8 P2 -","2","0.25","","Schulze, G E R","Die Kristallstruktur von B P O~4~ und B As O~4~","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1934","24","","215","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010300","4.458","0.006","4.458","0.006","6.796","0.008","90","","90","","90","","135.1","","","","","","","","","","","","","3","I -4","I -4","82","","Boron arsenate","","- As B O4 -","- As B O4 -","- As2 B2 O8 -","2","0.25","","Schulze, G E R","Die Kristallstruktur von B P O~4~ und B As O~4~","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1934","24","","215","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010301","3.549","0.004","3.549","0.004","4.334","0.008","90","","90","","90","","54.6","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Lithium hydroxide","","- H Li O -","- H Li O -","- H2 Li2 O2 -","2","0.125","","Ernst, T.","Darstellung und Kristallstruktur von Lithiumhydroxyd","Zeitschrift für Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1933","20","","65","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010302","4.15","0.01","4.15","0.01","4.15","0.01","90","","90","","90","","71.5","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Calcium boride (1/6)","","- B6 Ca -","- B6 Ca -","- B6 Ca -","1","0.0208333","","Stackelberg, M von; Neumann, F","Die Kristallstruktur der Boride der Zusammensetzung Me B~6~","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1932","19","","314","320","","","","","","","","","","","","","","","","","","","","","","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",""
"1010304","3.98","0.02","7.57","0.04","11.47","0.06","90","","90","","90","","345.6","","","","","","","","","","","","","4","A b m m","-A 2b 2b","67","","Ammonium dihydrogen phosphate(I)","","- H6 N O2 P -","- H6 N O2 P -","- H24 N4 O8 P4 -","4","0.25","","Zachariasen, W H; Mooney, R C L","The Structure of the Hypophosphite Group as Determined from the Crystal Lattice of Ammonium Hypophosphite","Journal of Chemical Physics","1934","2","","34","37","10.1063/1.1749354","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010305","5.63","","5.63","","5.63","","90","","90","","90","","178.5","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Carbon(II) oxide","","- C O -","- C O -","- C4 O4 -","4","0.333333","","Vegard, L","Struktur und Leuchtfaehigkeit von festem Kohlenoxyd.","Zeitschrift fuer Physik","1930","61","","185","190","10.1007/BF01339658","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010306","8.13","","8.13","","12.63","","90","","90","","90","","834.8","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Potassium iodate(VII)","","- I K O4 -","- I K O4 -","- I4 K4 O16 -","4","0.25","","Hylleraas, E","Die Atomanordnung in den tetragonalen Kristallen von K~2~ J~2~ O~8~, Kaliummetaperjodat.","Zeitschrift fuer Physik","1926","39","","308","321","10.1007/BF01322016","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010307","9.87","","9.87","","9.87","","90","","90","","90","","961.5","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium hexachloroiridate(IV)","","- Cl6 H8 Ir N2 -","- Cl6 H8 Ir N2 -","- Cl24 H32 Ir4 N8 -","4","0.0208333","","Bokii, G B; Ussikov, P I","Roentgenographische Untersuchung der Struktur des Ammonium-Chlor- Iridats (N H~4~)~2~ Ir Cl~6~","Doklady Akademii Nauk SSSR","1940","26","","782","784","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010308","5.58","0.03","5.93","0.03","6.04","0.03","90","","90","","90","","199.9","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","Silver azide","","- Ag N3 -","- Ag N3 -","- Ag4 N12 -","4","0.25","","Bassiere, M","Structure cristalline de l'azoture d'argent.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1935","201","","735","737","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010309","3.75","","7.95","","3.3","","90","","90","","90","","98.4","","","","","","","","","","","","","3","P m n m :1","P 2ac 2ac -1ac","59","","Iron(III) oxide chloride","","- Cl Fe O -","- Cl Fe O -","- Cl2 Fe2 O2 -","2","0.25","","Goldsztaub, M S","Structure cristalline de l'oxychlorure de fer.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1934","198","","667","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010310","5.44","0.01","5.44","0.01","5.44","0.01","38.37","0.07","38.37","0.07","38.37","0.07","55.7","","","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","Sodium isocyanate","","- C N Na O -","- C N Na O -","- C N Na O -","1","0.166667","","Bassiere, M","Sur la structure de l'isocyanate de sodium.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1938","206","","1309","1311","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010311","5.525","0.005","5.525","0.005","5.525","0.005","90","","90","","90","","168.7","","","","","","","","","","","","","2","P n -3 m :1","P 4n 2 3 -1n","224","","Bismuth oxide","","- Bi2 O3 -","- Bi2 O3 -","- Bi4 O6 -","2","0.0416667","","Sillen, L G","X-Ray Studies of Bismuth Trioxide","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","18","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010312","10.93","","10.93","","5.62","","90","","90","","90","","671.4","","","","","","","","","","","","","2","C -4 2 b","P -4 -2ab (1/2*x+1/2*y,-1/2*x+1/2*y,z)","117","","Bismuth oxide","","- Bi2 O3 -","- Bi2 O3 -","- Bi16 O24 -","8","","","Sillen, L G","X-Ray Studies on Bismuth Trioxide","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","18","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","208311","2020-10-21","18:00:00",""
"1010313","10.08","","10.08","","10.08","","90","","90","","90","","1024.2","","","","","","","","","","","","","2","I 2 3","I 2 2 3","197","","Bismuth oxide","","- Bi2 O3 -","- Bi2 O3 -","- Bi24 O36 -","12","0.5","","Sillen, L G","X-Ray Studies on Bismuth Trioxide","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","18","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010314","10.08","","10.08","","10.08","","90","","90","","90","","1024.2","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Disilicon 24-bismuth 40-oxide","","- Bi24 O40 Si2 -","- Bi24 O40 Si2 -","- Bi24 O40 Si2 -","1","0.0416667","","Sillen, L G","X-Ray Studies on Bismuth Trioxide","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","18","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010315","7.05","0.01","7.05","0.01","4.1","0.01","90","","90","","90","","203.8","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Potassium tetrachloropalladate","","- Cl4 K2 Pd -","- Cl4 K2 Pd -","- Cl4 K2 Pd -","1","0.0625","","Theilacker, W","Die Anordnung der Valenzen im koordinativ 4-wertigen Palladium und Platin","Zeitschrift fuer Anorganische und Allgemeine Chemie","1937","234","","161","178","10.1002/zaac.19372340208","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010316","9.06","","9.06","","9.06","","90","","90","","90","","743.7","","","","","","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","Silicon aluminium sodium sulfide oxide hydrate *","","- Al6 H1.2 Na8 O24.6 S2.5 Si6 -","- Al6 H2.4 Na8 O24.6 S2.496 Si6 -","- Al6 H2.4 Na8 O24.6 S2.496 Si6 -","1","0.0416667","","Podschus, E; Hofmann, U; Leschewski, K","Roentgenographische Strukturuntersuchungen von Ultramarinblau und seinen Reaktionsprodukten","Zeitschrift fuer Anorganische und Allgemeine Chemie","1936","228","","305","333","10.1002/zaac.19362280402","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010317","8.98","","8.98","","8.98","","90","","90","","90","","724.2","","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","Silver sodium thioalumosilicate *","","- Ag8 Al6 O24 S1.95 Si6 -","- Ag8 Al6 O24 S1.956 Si6 -","- Ag8 Al6 O24 S1.956 Si6 -","1","0.0416667","","Podschus, E; Hofmann, U; Leschewski, K","Roentgenographische Strukturuntersuchungen von Ultramarinblau und seinen Reaktionsprodukten","Zeitschrift fuer Anorganische und Allgemeine Chemie","1936","228","","305","333","10.1002/zaac.19362280402","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010318","5.27","","5.27","","5.194","","90","","90","","90","","144.3","","","","","","","","","","","","","3","P -4 2 m","P -4 2","111","","Copper iron sulfide","","- Cu Fe S2 -","- Cu Fe S2 -","- Cu2 Fe2 S4 -","2","0.25","","Gross, R; Gross, N","Die Atomanordnung des Kupferkieses und die Struktur der Beruehrungsflaechen gesetzmaessig verwachsener Kristalle","Neues Jahrbuch fuer Mineralogie, Geologie und Palaeontologie. Beilage (- 1925)","1923","48","","113","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010319","4.13","","4.13","","6.69","","90","","90","","120","","98.8","","","","","","","","","","","","","2","P -6","P -6","174","","Germanium(II) iodide","","- Ge I2 -","- Ge I2 -","- Ge I2 -","1","0.166667","","Powell, H M; Brewer, F M","The Structure of Germanous Iodide","Journal of the Chemical Society","1938","1938","","197","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010320","11.71","","13.48","","6.63","","90","","104.83","","90","","1011.7","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Barium tetracyanoniccolate tetrahydrate","","- C4 H8 Ba N4 Ni O4 -","- C4 H8 Ba N4 Ni O4 -","- C16 H32 Ba4 N16 Ni4 O16 -","4","0.5","","Brasseur, H.; de Rassenfosse, A.","Structure cristalline des cyanures doubles de baryum a base de platine, de palladium et de nickel","Bulletin de la Societe Francaise de Mineralogie","1938","61","","129","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","205561","2020-10-21","18:00:00",""
"1010321","7.98","","7.98","","8.41","","90","","90","","90","","535.6","","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","Copper diammonium bromide dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.125","","Silberstein, A","Srtucture du bromure double de cuivre et d'ammonium.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1936","202","","1196","1197","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010322","5.33","0.02","5.33","0.02","5.33","0.02","90","","90","","90","","151.4","","","","","","","","","","","","","4","P -4 3 m","P -4 2 3","215","","Caesium silver gold chloride *","","- Ag0.5 Au0.5 Cl3 Cs -","- Ag0.5 Au0.5 Cl3 Cs -","- Ag0.5 Au0.5 Cl3 Cs -","1","0.0416667","","Elliott, N","The Crystal Structure and Magnetic Susceptibility of Caesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~, and Caesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~","Journal of Chemical Physics","1934","2","","419","421","10.1063/1.1749500","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010323","5.33","0.02","5.33","0.02","5.33","0.02","90","","90","","90","","151.4","","","","","","","","","","","","","3","P -4 3 m","P -4 2 3","215","","Caesium gold gold(III) chloride *","","- Au Cl3 Cs -","- Au Cl3 Cs -","- Au Cl3 Cs -","1","0.0416667","","Elliott, N","The Crystal Structure and Magnetic Susceptibility of Caesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~, and Caesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~","Journal of Chemical Physics","1934","2","","419","421","10.1063/1.1749500","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010324","5.995","","5.995","","5.995","","90","","90","","90","","215.5","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Silver phosphate","","- Ag3 O4 P -","- Ag3 O4 P -","- Ag6 O8 P2 -","2","0.0833333","","Helmholz, L","The Crystal Structure of Silver Phosphate","Journal of Chemical Physics","1936","4","","316","322","10.1063/1.1749847","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010325","3.31","","4.38","","10.5","","90","","90","","90","","152.2","","","","","","","","","","","","","1","B m a b","-B 2ab 2","64","","Phosphorus - black","","- P -","- P -","- P8 -","8","","","Hultgren, R; Gingrich, N S; Warren, B E","The Atomic Distribution in Red and Black Phosphorus and the Crystal Structure of Black Phosphorus","Journal of Chemical Physics","1935","3","","351","355","10.1063/1.1749671","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010326","5.143","0.006","5.143","0.006","5.143","0.006","90","","90","","90","","136","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Lithium chloride","","- Cl Li -","- Cl Li -","- Cl4 Li4 -","4","0.0208333","","Ott, H","Die Raumgitter der Lithiumhalogenide.","Physikalische Zeitschrift","1923","24","","209","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010327","6","0.007","6","0.007","6","0.007","90","","90","","90","","216","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Lithium iodide","","- I Li -","- I Li -","- I4 Li4 -","4","0.0208333","","Ott, H","Die Raumgitter der Lithiumhalogenide","Physikalische Zeitschrift","1923","24","","209","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010328","8.56","","8.56","","6.12","","90","","90","","90","","448.4","","88.15","","","","","","","","","","","1","P 42/n c m :1","P 4n 2ab -1n","138","","Dichlorine","","- Cl2 -","- Cl2 -","- Cl16 -","8","0.5","","Keesom, Willem Hendrik; Taconis, Krijn Wijbren","On the crystal structure of chlorine","Physica (The Hague) (1,1934-17,1951)","1936","3","","237","242","10.1016/S0031-8914(36)80226-2","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010329","7.09","0.02","7.72","0.04","5.56","0.02","90.092","","101.033","","105.742","","287","","","","","","","","","","","","","3","P -1","-P 1","2","","Dialuminium silicate oxide","","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","2","","Taylor, W H; Jackson, W W","The Structure of Cyanite, Al~2~ Si O~5~","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1928","119","","132","146","10.1098/rspa.1928.0088","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010330","2.51","","2.51","","6.69","","90","","90","","120","","36.5","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Boron nitride","","- B N -","- B N -","- B2 N2 -","2","0.166667","","Hassel, O","Die Kristallstruktur des Bornitrides, B N","Norsk Geologisk Tidsskrift","1927","9","","266","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010331","2.51","","2.51","","6.69","","90","","90","","120","","36.5","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Boron nitride","","- B N -","- B N -","- B2 N2 -","2","0.166667","","Hassel, O","Die Kristallstruktur des Bornitrides, B N","Norsk Geologisk Tidsskrift","1927","9","","266","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010332","10.39","","10.39","","10.39","","90","","90","","90","","1121.6","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Ytterbium oxide","","- O3 Yb2 -","- O3 Yb2 -","- O48 Yb32 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010333","10.52","","10.52","","10.52","","90","","90","","90","","1164.3","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Thulium oxide","","- O3 Tm2 -","- O3 Tm2 -","- O48 Tm32 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010334","10.54","","10.54","","10.54","","90","","90","","90","","1170.9","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Erbium oxide","","- Er2 O3 -","- Er2 O3 -","- Er32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010335","10.58","","10.58","","10.58","","90","","90","","90","","1184.3","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Holmium oxide","","- Ho2 O3 -","- Ho2 O3 -","- Ho32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010336","10.63","","10.63","","10.63","","90","","90","","90","","1201.2","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Dysprosium oxide","","- Dy2 O3 -","- Dy2 O3 -","- Dy32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010337","10.7","","10.7","","10.7","","90","","90","","90","","1225","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Terbium oxide","","- O3 Tb2 -","- O3 Tb2 -","- O48 Tb32 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and Thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010338","10.79","","10.79","","10.79","","90","","90","","90","","1256.2","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Gadolinium oxide","","- Gd2 O3 -","- Gd2 O3 -","- Gd32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010339","10.84","","10.84","","10.84","","90","","90","","90","","1273.8","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Europium oxide","","- Eu2 O3 -","- Eu2 O3 -","- Eu32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010340","10.85","","10.85","","10.85","","90","","90","","90","","1277.3","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Samarium oxide","","- O3 Sm2 -","- O3 Sm2 -","- O48 Sm32 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010341","10.12","","10.12","","10.12","","90","","90","","90","","1036.4","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Indium oxide","","- In2 O3 -","- In2 O3 -","- In32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010342","10.73","","10.73","","10.73","","90","","90","","90","","1235.4","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium hexanitroiridate(III)","","- H12 Ir N9 O12 -","- H13 Ir N9 O12 -","- H52 Ir4 N36 O48 -","4","0.0208333","","Ferrari, A; Colla, C","Iridionitriti di ammonio, potassio, rubidio, cesio, tallio e bario","Gazzetta Chimica Italiana","1933","63","","507","513","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010343","10.57","","10.57","","10.57","","90","","90","","90","","1180.9","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Potassium hexanitroiridate(III)","","- Ir K3 N6 O12 -","- Ir K3 N6 O12 -","- Ir4 K12 N24 O48 -","4","0.0208333","","Ferrari, A; Colla, C","Iridionitriti di ammonio, potassio, rubidio, cesio, tallio e bario","Gazzetta Chimica Italiana","1933","63","","507","513","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010344","10.77","","10.77","","10.77","","90","","90","","90","","1249.2","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Rubidium hexanitroiridate(III)","","- Ir N6 O12 Rb3 -","- Ir N6 O12 Rb3 -","- Ir4 N24 O48 Rb12 -","4","0.0208333","","Ferrari, A; Colla, C","Iridionitriti di ammonio, potassio, rubidio, cesio, tallio e bario","Gazzetta Chimica Italiana","1933","63","","507","513","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010345","11.17","","11.17","","11.17","","90","","90","","90","","1393.7","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Caesium hexanitroiridate(III)","","- Cs3 Ir N6 O12 -","- Cs3 Ir N6 O12 -","- Cs12 Ir4 N24 O48 -","4","0.0208333","","Ferrari, A; Colla, C","Iridionitriti di ammonio, potassio, rubidio, cesio, tallio e bario","Gazzetta Chimica Italiana","1933","63","","507","513","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010346","10.73","","10.73","","10.73","","90","","90","","90","","1235.4","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Thallium hexanitroiridate(III)","","- Ir N6 O12 Tl3 -","- Ir N6 O12 Tl3 -","- Ir4 N24 O48 Tl12 -","4","0.0208333","","Ferrari, A; Colla, C","Iridionitriti di ammonio, potassio, rubidio, cesio, tallio e bario","Gazzetta Chimica Italiana","1933","63","","507","513","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010347","10.6","","10.6","","10.6","","90","","90","","90","","1191","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Barium hexanitroiridate(III)","","- Ba3 Ir2 N12 O24 -","- Ba3 Ir2 N12 O24 -","- Ba6 Ir4 N24 O48 -","2","0.0104167","","Ferrari, A; Colla, C","Iridionitriti di ammonio, potassio, rubidio, cesio, tallio e bario","Gazzetta Chimica Italiana","1933","63","","507","513","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010348","4.766","","4.766","","3.78","","90","","90","","90","","85.9","","","","","","","","","","","","","4","P 4","P 4","75","","Thallium thiocyanate","","- C N S Tl -","- C N S Tl -","- C N S Tl -","1","0.25","","Strada, M","Ricerche sulla struttura dei pseudo-alogeni e dei loro composti. - I. Tiocianato di tallio","Gazzetta Chimica Italiana","1934","64","","400","409","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010349","5.45","","5.45","","5.45","","90","","90","","90","","161.9","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Rubidium trinitromercurate","","- Hg N3 O6 Rb -","- Hg N3 O6 Rb -","- Hg N3 O6 Rb -","1","0.0416667","","Ferrari, A; Colla, C","Mercurinitriti di metalli monovalenti","Gazzetta Chimica Italiana","1935","65","","789","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010350","5.475","","5.475","","5.475","","90","","90","","90","","164.1","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Caesium trinitromercurate","","- Cs Hg N3 O6 -","- Cs Hg N3 O6 -","- Cs Hg N3 O6 -","1","0.0416667","","Ferrari, A; Colla, C","Mercurinitriti di metalli monovalenti","Gazzetta Chimica Italiana","1935","65","","789","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010351","5.385","","5.385","","5.385","","90","","90","","90","","156.2","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Thallium trinitromercurate","","- Hg N3 O6 Tl -","- Hg N3 O6 Tl -","- Hg N3 O6 Tl -","1","0.0416667","","Ferrari, A; Colla, C","Mercurinitriti di metalli monovalenti","Gazzetta Chimica Italiana","1935","65","","789","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010352","5.325","","5.325","","5.325","","90","","90","","90","","151","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Potassium trinitrocadmate","","- Cd K N3 O6 -","- Cd K N3 O6 -","- Cd K N3 O6 -","1","0.0416667","","Ferrari, A; Baroni, A; Colla, C","Cadmionitriti di metalli monovalenti","Gazzetta Chimica Italiana","1935","65","","797","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010353","5.375","","5.375","","5.375","","90","","90","","90","","155.3","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Rubidium trinitrocadmate","","- Cd N3 O6 Rb -","- Cd N3 O6 Rb -","- Cd N3 O6 Rb -","1","0.0416667","","Ferrari, A; Baroni, A; Colla, C","Cadmionitriti di metalli monovalenti","Gazzetta Chimica Italiana","1935","65","","797","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010354","5.39","","5.39","","5.39","","90","","90","","90","","156.6","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Caesium trinitrocadmate","","- Cd Cs N3 O6 -","- Cd Cs N3 O6 -","- Cd Cs N3 O6 -","1","0.0416667","","Ferrari, A; Baroni, A; Colla, C","Cadmionitriti di metalli monovalenti","Gazzetta Chimica Italiana","1935","65","","797","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010355","5.34","","5.34","","5.34","","90","","90","","90","","152.3","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Thallium trinitrocadmate","","- Cd N3 O6 Tl -","- Cd N3 O6 Tl -","- Cd N3 O6 Tl -","1","0.0416667","","Ferrari, A; Baroni, A; Colla, C","Cadmionitriti di metalli monovalenti","Gazzetta Chimica Italiana","1935","65","","797","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010356","5.355","","5.355","","5.355","","90","","90","","90","","153.6","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Ammonium trinitrocadmate","","- Cd H4 N4 O6 -","- Cd H4.5 N4 O6 -","- Cd H4.5 N4 O6 -","1","0.0416667","","Ferrari, A; Baroni, A; Colla, C","Cadmionitriti di metalli monovalenti","Gazzetta Chimica Italiana","1935","65","","797","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010357","10.22","","10.22","","10.22","","90","","90","","90","","1067.5","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Antimony(V) oxide hydrate","","- H2 O6 Sb2 -","- H2.98 O6 Sb2 -","- H23.84 O48 Sb16 -","8","0.0416667","","Natta, G; Baccaredda, M","Composti chimici interstiziali. Struttura del pentossido di antimonio idrato e di alcuni antimoniati","Gazzetta Chimica Italiana","1936","66","","308","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010358","9.98","0.05","9.98","0.05","9.98","0.05","90","","90","","90","","994","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Copper hexacyanoferrate(II)","","- C6 Cu2 Fe N6 -","- C6 Cu2 Fe N6 -","- C24 Cu8 Fe4 N24 -","4","0.0416667","","Rigamonti, R","Struttura dei cupriferrocianuri.- Nota I. Ferrocianuro di rame e ferrocianuri di rame e potassio","Gazzetta Chimica Italiana","1937","67","","137","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010359","9.99","0.05","9.99","0.05","9.99","0.05","90","","90","","90","","997","","","","","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","Dipotassium copper hexacyanoferrate(II)","","- C6 Cu Fe K2 N6 -","- C6 Cu Fe K2 N6 -","- C24 Cu4 Fe4 K8 N24 -","4","0.0416667","","Rigamonti, R","Struttura dei cupriferrocianuri.- Nota I. Ferrocianuro di rame e ferrocianuri di rame e potassio","Gazzetta Chimica Italiana","1937","67","","137","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010360","9.97","0.05","9.97","0.05","9.97","0.05","90","","90","","90","","991","","","","","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","Dipotassium tricopper hexacyanoferrate(II)","","- C12 Cu3 Fe2 K2 N12 -","- C12 Cu3 Fe2 K2 N12 -","- C24 Cu6 Fe4 K4 N24 -","2","0.0208333","","Rigamonti, R","Struttura dei cupriferrocianuri.- Nota I. Ferrocianuro di rame e ferrocianuri di rame e potassio","Gazzetta Chimica Italiana","1937","67","","137","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010361","9.96","0.05","9.96","0.05","9.96","0.05","90","","90","","90","","988","","","","","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","Dilithium copper hexacyanoferrate(II)","","- C6 Cu Fe Li2 N6 -","- C6 Cu Fe Li2 N6 -","- C24 Cu4 Fe4 Li8 N24 -","4","0.0416667","","Rigamonti, R","Struttura dei cupriferrocianuri.- Nota II. Ferrocianuri di rame e cationi monovalenti","Gazzetta Chimica Italiana","1937","67","","146","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010362","10.02","0.05","10.02","0.05","10.02","0.05","90","","90","","90","","1006","","","","","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","Disodium copper hexacyanoferrate(II)","","- C6 Cu Fe N6 Na2 -","- C6 Cu Fe N6 Na2 -","- C24 Cu4 Fe4 N24 Na8 -","4","0.0416667","","Rigamonti, R","Struttura dei cupriferrocianuri.- Nota II. Ferrocianuri di rame e cationi monovalenti","Gazzetta Chimica Italiana","1937","67","","146","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010363","10.05","0.05","10.05","0.05","10.05","0.05","90","","90","","90","","1015.1","","","","","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","Diammonium copper hexacyanoferrate(II)","","- C6 H8 Cu Fe N8 -","- C6 H8 Cu Fe N8 -","- C24 H32 Cu4 Fe4 N32 -","4","0.0416667","","Rigamonti, R","Struttura dei cupriferrocianuri.- Nota II. Ferrocianuri di rame e cationi monovalenti","Gazzetta Chimica Italiana","1937","67","","146","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010364","9.98","0.05","9.98","0.05","9.98","0.05","90","","90","","90","","994","","","","","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","Dirubidium copper hexacyanoferrate(II)","","- C6 Cu Fe N6 Rb2 -","- C6 Cu Fe N6 Rb2 -","- C24 Cu4 Fe4 N24 Rb8 -","4","0.0416667","","Rigamonti, R","Struttura dei cupriferrocianuri.- Nota II. Ferrocianuri di rame e cationi monovalenti","Gazzetta Chimica Italiana","1937","67","","146","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010365","10.29","","10.29","","10.29","","90","","90","","90","","1089.5","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Magnesium dihydrogenphosphate(I) hexahydrate","","- H16 Mg O10 P2 -","- H18 Mg O10 P2 -","- H72 Mg4 O40 P8 -","4","0.0416667","","Ferrari, A; Colla, C","Ricerche sui sali dei cationi esaidrati.- I. Ipofosfiti esaidrati di metalli bivalenti","Gazzetta Chimica Italiana","1937","67","","294","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010366","10.3","","10.3","","10.3","","90","","90","","90","","1092.7","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Nickel dihydrogenphosphate(I) hexahydrate","","- H16 Ni O10 P2 -","- H18 Ni O10 P2 -","- H72 Ni4 O40 P8 -","4","0.0416667","","Ferrari, A; Colla, C","Ricerche sui sali dei cationi esaidrati.- I- Ipofosfiti esaidrati di metalli bivalenti","Gazzetta Chimica Italiana","1937","67","","294","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010367","10.22","","10.22","","10.22","","90","","90","","90","","1067.5","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cobalt dihydrogenphosphate(I) hexahydrate","","- Co H16 O10 P2 -","- Co H18 O10 P2 -","- Co4 H72 O40 P8 -","4","0.0416667","","Ferrari, A; Colla, C","Ricerche sui sali dei cationi esaidrati.- I. Ipofosfiti esaidrati di metalli bivalenti","Gazzetta Chimica Italiana","1937","67","","294","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010368","10.29","","10.29","","10.29","","90","","90","","90","","1089.5","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Hexaaquamagnesium chlorate(III)","","- Cl2 H12 Mg O10 -","- Cl2 H13 Mg O9.96 -","- Cl8 H52 Mg4 O39.84 -","4","0.0416667","","Ferrari, A; Colla, C","Ricerche sui sali dei cationi esaidrati.- II. Clorito esaidrato di magnesio","Gazzetta Chimica Italiana","1937","67","","424","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010369","8.384","","8.384","","8.384","","90","","90","","90","","589.3","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Iron diiron(III) oxide","","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Montoro, V","Miscibilita fra gli ossidi salini di ferro e di manganese","Gazzetta Chimica Italiana","1938","68","","728","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010370","8.501","","8.501","","8.501","","90","","90","","90","","614.3","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Triiron trimanganese octaoxide","","- Fe3 Mn3 O8 -","- Fe3 Mn3 O8 -","- Fe12 Mn12 O32 -","4","0.0208333","","Montoro, V","Miscibilita fra gli ossidi salini di ferro e di manganese","Gazzetta Chimica Italiana","1938","68","","728","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010371","8.51","","8.51","","8.51","","90","","90","","90","","616.3","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Iron dimanganese(III) oxide","","- Fe Mn2 O4 -","- Fe Mn2 O4 -","- Fe8 Mn16 O32 -","8","0.0416667","","Montoro, V","Miscibilita fra gli ossidi salini di ferro e di manganese","Gazzetta Chimica Italiana","1938","68","","728","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010372","9.96","0.05","9.96","0.05","9.96","0.05","90","","90","","90","","988","","","","","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","Dipotassium nickel hexacyanoferrate(II)","","- C6 Fe K2 N6 Ni -","- C6 Fe K2 N6 Ni -","- C24 Fe4 K8 N24 Ni4 -","4","0.0416667","","Rigamonti, R","Struttura e costituzione chimica di alcuni ferrocianuri","Gazzetta Chimica Italiana","1938","68","","803","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010373","10","0.05","10","0.05","10","0.05","90","","90","","90","","1000","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Dinickel hexacyanoferrate(II)","","- C6 Fe N6 Ni2 -","- C6 Fe N6 Ni2 -","- C24 Fe4 N24 Ni8 -","4","0.0416667","","Rigamonti, R","Struttura e costituzione chimica di alcuni ferrocianuri","Gazzetta Chimica Italiana","1938","68","","803","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010374","10.08","0.05","10.08","0.05","10.08","0.05","90","","90","","90","","1024.2","","","","","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","Dipotassium cobalt hexacyanoferrate(II)","","- C6 Co Fe K2 N6 -","- C6 Co Fe K2 N6 -","- C24 Co4 Fe4 K8 N24 -","4","0.0416667","","Rigamonti, R","Struttura e costituzione chimica di alcuni ferrocianuri","Gazzetta Chimica Italiana","1938","68","","803","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010375","10.12","0.05","10.12","0.05","10.12","0.05","90","","90","","90","","1036.4","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Dicobalt hexacyanoferrate(II)","","- C6 Co2 Fe N6 -","- C6 Co2 Fe N6 -","- C24 Co8 Fe4 N24 -","4","0.0416667","","Rigamonti, R","Struttura e costituzione chimica di alcuni ferrocianuri","Gazzetta Chimica Italiana","1938","68","","803","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010376","8.96","0.02","14.87","0.03","3.97","0.01","90","","90","","90","","528.9","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Ammonium trichlorocadmate","","- Cd Cl3 H4 N -","- Cd Cl3 H4 N -","- Cd4 Cl12 H16 N4 -","4","0.5","","Brasseur, H; Pauling, L","The Crystal Structure of Ammonium Cadmium Chloride, N H~4~ Cd Cl~3~","Journal of the American Chemical Society","1938","60","","2886","2890","10.1021/ja01279a016","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010377","6.56","","6.56","","6.56","","90","","90","","90","","282.3","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium chlorate","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","0.333333","","Dickinson, R G; Goodhue, E A","The Crystal Structures of Sodium Chlorate and Sodium Bromate","Journal of the American Chemical Society","1921","43","","2045","2055","10.1021/ja01442a008","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010378","6.71","","6.71","","6.71","","90","","90","","90","","302.1","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium bromate","","- Br Na O3 -","- Br Na O3 -","- Br4 Na4 O12 -","4","0.333333","","Dickinson, R G; Goodhue, E A","The Crystal Structures of Sodium Chlorate and Sodium Bromate","Journal of the American Chemical Society","1921","43","","2045","2055","10.1021/ja01442a008","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010379","9.843","","9.843","","9.843","","90","","90","","90","","953.6","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium hexachloroplatinate","","- Cl6 H8 N2 Pt -","- Cl6 H8 N2 Pt -","- Cl24 H32 N8 Pt4 -","4","0.0208333","","Wyckoff, R W G; Posnjak, E","The Crystal Structure of Ammonium Chloroplatinate","Journal of the American Chemical Society","1921","43","","2292","2309","10.1021/ja01444a002","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010380","5.67","","5.67","","6.81","","90","","90","","90","","218.9","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Potassium hydrogendifluoride","","- F2 H K -","- F2 H K -","- F8 H4 K4 -","4","0.125","","Helmholz, L; Rogers, M T","A Redetermination of the Fluorine - Fluorine Distance in Potassium Bifluoride","Journal of the American Chemical Society","1939","61","","2590","2592","10.1021/ja01265a005","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010381","4.17","0.003","4.17","0.003","4.17","0.003","90","","90","","90","","72.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Nickel oxide","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Thomassen, L","An X-Ray Investigation of the System Cr~2~ O~3~ - Ni O","Journal of the American Chemical Society","1940","62","","1134","1135","10.1021/ja01862a037","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010382","5.38","","5.38","","5.38","","90","","90","","90","","155.7","","","","","","","","","","","","","2","P n -3 :1","P 2 2 3 -1n","201","","Lead(I) oxide","","- O Pb2 -","- O Pb2 -","- O2 Pb4 -","2","0.0833333","","Ferrari, A","Il sottossido di piombo","Gazzetta Chimica Italiana","1926","56","","630","637","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010383","6.41","","6.41","","5.807","","90","","90","","90","","238.6","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Strontium hydroxide octahydrate","","- H18 O10 Sr -","- H18 O10 Sr -","- H18 O10 Sr -","1","0.0625","","Natta, G","Costituzione degli idrosside ed idrati. - Nota III. Sull'idrossido di stronzio ottoidrato","Gazzetta Chimica Italiana","1928","58","","870","882","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010384","6.32","","6.32","","5.56","","90","","90","","90","","222.1","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Strontium peroxide octahydrate","","- H16 O10 Sr -","- H16 O10 Sr -","- H16 O10 Sr -","1","0.0625","","Natta, G","Struttura degli idrossidi ed idrati. - Nota IV. Sul perossido di stronzio ottoidrato","Gazzetta Chimica Italiana","1932","62","","444","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010385","5.76","","5.76","","5.76","","90","","90","","90","","191.1","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Hydrogen bromide","","- Br H -","- Br H -","- Br4 H4 -","4","0.0208333","","Natta, G","Struttura e polimorfismo degli acidi alogenidrici","Gazzetta Chimica Italiana","1933","63","","425","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010386","5.555","0.01","5.64","0.01","6.063","0.01","90","","90","","90","","190","","","","","","","","","","","","","2","F m m m","-F 2 2","69","","Hydrogen bromide","","- Br H -","- Br H -","- Br4 H4 -","4","0.125","","Natta, G","Struttura e polimorfismo degli acidi alogenidrici","Gazzetta Chimica Italiana","1933","63","","425","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010387","5.46","","5.46","","5.46","","90","","90","","90","","162.8","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Hydrogen chloride","","- Cl H -","- Cl H -","- Cl4 H4 -","4","0.0208333","","Natta, G","Struttura e polimorfismo degli acidi alogenidrici","Gazzetta Chimica Italiana","1933","63","","425","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010388","5.03","0.02","5.35","0.02","5.71","0.02","90","","90","","90","","153.7","","","","","","","","","","","","","2","F m m m","-F 2 2","69","","Hydrogen chloride","","- Cl H -","- Cl H -","- Cl4 H4 -","4","0.125","","Natta, G","Struttura e polimorfismo degli acidi alogenidrici","Gazzetta Chimica Italiana","1933","63","","425","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010389","10.21","","10.21","","10.21","","90","","90","","90","","1064.3","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexachlorogermanate","","- Cl6 Cs2 Ge -","- Cl6 Cs2 Ge -","- Cl24 Cs8 Ge4 -","4","0.0208333","","Laubengayer, A W; Billings, O B; Newkirk, A E","Chlorogermanic Acid and the Chlorogermanates. Properties and Crystal Structure of Cesium Hexachlorogermanate","Journal of the American Chemical Society","1940","62","","546","548","10.1021/ja01860a027","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010390","8.426","0.02","8.18","0.02","3.69","0.05","90","","90","","90","","254.3","","","","","","","","","","","","","3","P m a n","-P 2ab 2","53","","Ammonium hydrogen fluoride","","- F2 H5 N -","- F2 H5 N -","- F8 H20 N4 -","4","0.5","","Rogers, M T; Helmholz, L","A Redetermination of the Parameters in Ammonium Bifluoride","Journal of the American Chemical Society","1940","62","","1533","1536","10.1021/ja01863a057","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010391","6.094","","6.094","","7.056","","90","","90","","90","","262","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Potassium azide","","- K N3 -","- K N3 -","- K4 N12 -","4","0.125","","Frevel, L K","The Configuration of the Azide Ion","Journal of the American Chemical Society","1936","58","","779","782","10.1021/ja01296a028","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010392","5.481","","5.481","","5.481","","38.72","","38.72","","38.72","","57.9","","","","","","","","","","","","","2","R -3 m :R","-P 3* 2","166","","Sodium azide","","- N3 Na -","- N3 Na -","- N3 Na -","1","0.0833333","","Frevel, L K","The Configuration of the Azide Ion","Journal of the American Chemical Society","1936","58","","779","782","10.1021/ja01296a028","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010393","4.408","0.001","4.408","0.001","4.408","0.001","90","","90","","90","","85.6","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Manganese oxide","","- Mn O -","- Mn O -","- Mn4 O4 -","4","0.0208333","","Fontana, C","Struttura dell'ossido manganoso","Gazzetta Chimica Italiana","1926","56","","396","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010394","5.957","0.002","5.957","0.002","5.957","0.002","90","","90","","90","","211.4","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Europium(II) sulfide","","- Eu S -","- Eu S -","- Eu4 S4 -","4","0.0208333","","Beck, G; Nowacki, W","Herstellung und Kristallstruktur von Eu S und Eu F~2~","Naturwissenschaften","1938","26","","495","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010395","5.796","0.006","5.796","0.006","5.796","0.006","90","","90","","90","","194.7","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Europium(II) fluoride","","- Eu F2 -","- Eu F2 -","- Eu4 F8 -","4","0.0208333","","Beck, G; Nowacki, W","Herstellung und Kristal-struktur von Eu S und Eu F~2~","Naturwissenschaften","1938","26","","495","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010396","10.1","0.004","10.1","0.004","10.1","0.004","90","","90","","90","","1030.3","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium hexachlorostannate","","- Cl6 Rb2 Sn -","- Cl6 Rb2 Sn -","- Cl24 Rb8 Sn4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ","Naturwissenschaften","1933","21","","704","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010397","10.221","0.004","10.221","0.004","10.221","0.004","90","","90","","90","","1067.8","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium hexachlorotellurate(IV)","","- Cl6 Rb2 Te -","- Cl6 Rb2 Te -","- Cl24 Rb8 Te4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ","Naturwissenschaften","1933","21","","704","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010398","9.882","0.003","9.882","0.003","9.882","0.003","90","","90","","90","","965","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium hexachloroplatinate","","- Cl6 Pt Rb2 -","- Cl6 Pt Rb2 -","- Cl24 Pt4 Rb8 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ","Naturwissenschaften","1933","21","","704","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010399","10.198","0.003","10.198","0.003","10.198","0.003","90","","90","","90","","1060.6","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium hexachloroplumbate","","- Cl6 Pb Rb2 -","- Cl6 Pb Rb2 -","- Cl24 Pb4 Rb8 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ","Naturwissenschaften","1933","21","","704","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010400","10.348","0.006","10.348","0.006","10.348","0.006","90","","90","","90","","1108.1","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexachlorostannate","","- Cl6 Cs2 Sn -","- Cl6 Cs2 Sn -","- Cl24 Cs8 Sn4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ","Naturwissenschaften","1933","21","","704","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010401","10.449","0.005","10.449","0.005","10.449","0.005","90","","90","","90","","1140.8","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexachlorotellurate(IV)","","- Cl6 Cs2 Te -","- Cl6 Cs2 Te -","- Cl24 Cs8 Te4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ","Naturwissenschaften","1933","21","","704","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010402","10.185","0.004","10.185","0.004","10.185","0.004","90","","90","","90","","1056.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexachloroplatinate","","- Cl6 Cs2 Pt -","- Cl6 Cs2 Pt -","- Cl24 Cs8 Pt4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ","Naturwissenschaften","1933","21","","704","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010403","10.415","0.005","10.415","0.005","10.415","0.005","90","","90","","90","","1129.7","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexachloroplumbate","","- Cl6 Cs2 Pb -","- Cl6 Cs2 Pb -","- Cl24 Cs8 Pb4 -","4","0.0208333","","Engel, G","Die Kristallstrukturen einiger Verbindungen vom K~2~ Pt Cl~6~ - Typ","Naturwissenschaften","1933","21","","704","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010404","4.37","","4.37","","4.37","","90","","90","","90","","83.5","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ammonium iodide","","- H4 I N -","- H4 I N -","- H4 I N -","1","0.0208333","","Simon, F; Simson, C von","Ein Umwandlungspunkt der Ammoniumsalze zwischen -30 und -40 Grad","Naturwissenschaften","1926","14","","880","881","10.1007/BF01490355","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010405","5.006","","5.006","","5.006","","90","","90","","90","","125.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Calcium imide","","- Ca H N -","- Ca H N -","- Ca4 H4 N4 -","4","0.0208333","","Franck, H H; Bredig, M A; Hoffmann, G","Zur Kristallstruktur der Calcium - Stickstoffverbindungen","Naturwissenschaften","1933","21","","330","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010406","4.377","0.003","4.377","0.003","4.377","0.003","90","","90","","90","","83.9","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Barium cerium(IV) oxide","","- Ba Ce O3 -","- Ba Ce O3 -","- Ba Ce O3 -","1","0.0208333","","Hoffmann, A","Sauerstoffsaeuren des vierwertigen Cerium und Thorium","Naturwissenschaften","1934","22","","206","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010407","4.48","0.003","4.48","0.003","4.48","0.003","90","","90","","90","","89.9","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Barium thorium oxide","","- Ba O3 Th -","- Ba O3 Th -","- Ba O3 Th -","1","0.0208333","","Hoffmann, N","Sauerstoffsaeuren des vierwertigen Cerium und Thorium","Naturwissenschaften","1934","22","","206","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010408","3.84","","3.84","","12.03","","90","","90","","90","","177.4","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Lithium triboron tetraoxide chloride","","- B3 Cl2 Li O4 -","- B3 Cl2 Li O4 -","- B3 Cl2 Li O4 -","1","0.03125","","Sillen, L G","Ein neuer Typus von gemischtem Halogen - Sauerstoffgitter","Naturwissenschaften","1938","26","","612","613","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010409","9.57","0.01","5.65","0.01","5.54","0.01","90","","90","","90","","299.6","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","Silicon sulfide","","- S2 Si -","- S2 Si -","- S8 Si4 -","4","0.25","","Buessem, W; Fischer, H; Gruner, E","Die Struktur des Siliciumdisulfids","Naturwissenschaften","1935","23","","740","740","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010410","4.2","","4.2","","4.2","","90","","90","","90","","74.1","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Niobium(II) oxide","","- Nb O -","- Nb O -","- Nb3 O3 -","3","0.0625","","Brauer, G","Ueber die Oxyde des Niobs","Naturwissenschaften","1940","28","","30","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010411","9.2","","9.2","","7.4","","90","","90","","90","","626.3","","","","","","","","","","","","","2","P 4/n :1","P 4ab -1ab","85","","Phosphorus(V) chloride","","- Cl5 P -","- Cl1.75 P -","- Cl7 P4 -","4","0.5","","Powell, H M; Clark, D; Wells, A F","Crystal Structure of Phosphorus Pentachloride","Nature (London)","1940","145","","149","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010412","6.391","","6.391","","6.391","","90","","90","","90","","261","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Magnesium silicide","","- Mg2 Si -","- Mg2 Si -","- Mg8 Si4 -","4","0.0208333","","Owen, E A; Preston, G D","The atomic structure of two intermetallic compounds","Nature (London)","1924","113","","914","914","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010413","8.5","0.09","4.73","0.05","5.72","0.06","90","","90","","90","","230","","","","","","","","","","","","","2","C c m m","-C 2c 2c","63","","Chromium(VI) oxide","","- Cr O3 -","- Cr O1.5 -","- Cr4 O6 -","4","0.25","","Wooster, W A; Wooster, N","Crystal Structure of Chromium Trioxide","Nature (London)","1931","127","","782","782","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010414","4.93","","4.93","","6.25","","90","","90","","120","","131.6","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Aluminium fluoride","","- Al F3 -","- Al F3 -","- Al3 F9 -","3","0.5","","Ketelaar, J A A","Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium","Nature (London)","1931","128","","303","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010415","5.2","","5.2","","6.66","","90","","90","","120","","156","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F9 Fe3 -","3","0.5","","Ketelaar, J A A","Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium","Nature (London)","1931","128","","303","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010416","5.06","","5.06","","6.63","","90","","90","","120","","147","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Cobalt(III) fluoride","","- Co F3 -","- Co F3 -","- Co3 F9 -","3","0.5","","Ketelaar, J A A","Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium","Nature (London)","1931","128","","303","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010417","4.88","","4.88","","6.81","","90","","90","","120","","140.4","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Rhodium(III) fluoride","","- F3 Rh -","- F3 Rh -","- F9 Rh3 -","3","0.5","","Ketelaar, J A A","Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium","Nature (London)","1931","128","","303","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010418","5.05","","5.05","","7.08","","90","","90","","120","","156.4","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Palladium(III) fluoride","","- F3 Pd -","- F3 Pd -","- F9 Pd3 -","3","0.5","","Ketelaar, J A A","Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium","Nature (London)","1931","128","","303","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010419","3.85","","3.85","","3.85","","90","","90","","90","","57.1","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Sodium tungstate(V)","","- Na O3 W -","- Na O3 W -","- Na O3 W -","1","0.0208333","","Haegg, G","The Spinels and the Cubic Sodium - Tungsten Bronzes as New Examples of Structures with Vacant Lattice Points","Nature (London)","1935","135","","874","874","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010420","3.813","","3.813","","3.813","","90","","90","","90","","55.4","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Sodium tungsten oxide (.35/1/3)","","- Na0.35 O3 W -","- Na0.35 O3 W -","- Na0.35 O3 W -","1","0.0208333","","Haegg, G","The Spinels and the Cubic Sodium - Tungsten Bronzes as New Examples of Structures with Vacant Lattice Points","Nature (London)","1935","135","","874","874","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010421","3.92","","3.92","","8.11","","90","","90","","90","","124.6","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Bismuth oxide bromide","","- Bi Br O -","- Bi Br O -","- Bi2 Br2 O2 -","2","0.125","","Bannister, F A","Crystal Structure of Bismuth Oxyhalides","Nature (London)","1934","134","","856","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010422","4.09","","4.09","","7.21","","90","","90","","90","","120.6","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Bismuth oxide iodide","","- Bi I O -","- Bi I O -","- Bi2 I2 O2 -","2","0.125","","Bannister, F A","Crystal Structure of Bismuth Oxyhalides","Nature (London)","1934","134","","856","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010423","6.82","0.02","6.82","0.02","6.82","0.02","90","","90","","90","","317.2","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Barium telluride","","- Ba Te -","- Ba Te -","- Ba4 Te4 -","4","0.0208333","","Spangenberg, K","Lichtbrechungsbestimmungen an den Erdalkaliverbindungen mit O, S, Se und Te","Naturwissenschaften","1927","15","","266","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010424","4.089","0.003","4.089","0.003","4.089","0.003","90","","90","","90","","68.4","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Strontium zirconate","","- O3 Sr Zr -","- O3 Sr Zr -","- O3 Sr Zr -","1","0.0208333","","Hoffmann, A","Groessenunterschied der Ionen von Zirkonium und Hafnium","Naturwissenschaften","1933","21","","676","676","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010425","4.069","0.003","4.069","0.003","4.069","0.003","90","","90","","90","","67.4","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Strontium hafnate","","- Hf O3 Sr -","- Hf O3 Sr -","- Hf O3 Sr -","1","0.0208333","","Hoffmann, A","Groessenunterschied der Ionen von Zirkonium und Hafnium","Naturwissenschaften","1933","21","","676","676","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010426","5.737","0.003","5.968","0.003","14.241","0.007","90","","90","","90","","487.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Caesium rhenate(VII)","","- Cs O4 Re -","- Cs O2 Re -","- Cs4 O8 Re4 -","4","0.5","","Beintema, J","Die Kristallstruktur der Alkaliperrhenate und -periodate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","97","","300","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010427","5.623","0.003","5.791","0.003","13.295","0.007","90","","90","","90","","432.9","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium rhenate(VII)","","- O4 Re Tl -","- O2 Re Tl -","- O8 Re4 Tl4 -","4","0.5","","Beintema, J","Die Kristallstruktur der Alkaliperrhenate und -periodate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","97","","300","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010428","5.838","0.003","6.014","0.003","14.364","0.007","90","","90","","90","","504.3","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Caesium iodate(VII)","","- Cs I O4 -","- Cs I O2 -","- Cs4 I4 O8 -","4","0.5","","Beintema, J","Die Kristallstruktur der Alkaliperrhenate und -periodate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","97","","300","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010429","7.65","","7.65","","7.65","","90","","90","","90","","447.7","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Rubidium sulfide","","- Rb2 S -","- Rb2 S -","- Rb8 S4 -","4","0.0208333","","May, K","Die Kristallstruktur der Rubidium-Sulfids, Rb~2~ S","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","412","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010430","5.03","","5.03","","11.22","","90","","90","","120","","245.8","","","","","","","","","","","","","3","P 31 2 1 S","","152","","Aluminium arsenate","","- Al As O4 -","- Al As O4 -","- Al3 As3 O12 -","3","","","Machatschki, F.","Die Kristallstruktur von Tiefquarz Si O~2~ und Aluminiumorthoarsenat Al As O~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","222","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","277832","2022-09-14","15:07:16",""
"1010431","13.4","0.03","13.4","0.03","13.4","0.03","90","","90","","90","","2406.1","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Potassium aluminium catena-silicate","","- Al K O6 Si2 -","- Al0.99 K O6 Si2.01 -","- Al15.84 K16 O96 Si32.16 -","16","0.166667","","Wyart, M J","Etude cristallographique d'une leucite artificielle. Structure atomique et symetrie du mineral","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1940","63","","5","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010432","3.408","","3.408","","5.54","","90","","90","","120","","55.7","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Iron nickel sulfide","","- Fe Ni S2 -","- Fe Ni S2 -","- Fe Ni S2 -","1","0.0416667","","Alsen, N","Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen","Geologiska Foereningens i Stockholm Foerhandlingar","1925","47","","19","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010433","3.36","","3.36","","5.29","","90","","90","","120","","51.7","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Iron cobalt sulfide","","- Co Fe S2 -","- Co Fe S2 -","- Co Fe S2 -","1","0.0416667","","Alsen, N","Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen","Geologiska Foereningens i Stockholm Foerhandlingar","1925","47","","19","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010434","3.54","","3.54","","5.91","","90","","90","","120","","64.1","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Iron sulfide selenide","","- Fe2 S Se -","- Fe2 S Se -","- Fe2 S Se -","1","0.0416667","","Alsen, N","Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen","Geologiska Foereningens i Stockholm Foerhandlingar","1925","47","","19","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010435","3.42","","3.42","","5.3","","90","","90","","120","","53.7","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Nickel sulfide","","- Ni S -","- Ni S -","- Ni2 S2 -","2","0.0833333","","Alsen, N","Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen","Geologiska Foereningens i Stockholm Foerhandlingar","1925","47","","19","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010436","4.4345","","4.4345","","4.4345","","90","","90","","90","","87.2","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Manganese oxide","","- Mn O -","- Mn O -","- Mn4 O4 -","4","0.0208333","","Ruhemann, B","Temperaturabhaengigkeit der Gitterkonstanten von Manganoxyd","Physikalische Zeitschrift","1935","36","","590","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010437","6.19","","11.6","","4.28","","90","","90","","90","","307.3","","","","","","","","","","","","","3","P n c a","-P 2a 2n","60","","Calcium diborate","","- B2 Ca O4 -","- B2 Ca O4 -","- B8 Ca4 O16 -","4","0.5","","Zachariasen, W H","The Crystal Lattice of Calcium Metaborate, Ca B~2~ O~4~","Proceedings of the National Academy of Sciences, U.S.A.","1931","17","","617","619","10.1073/pnas.17.11.617","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010438","2.696","","2.696","","4.394","","90","","90","","120","","27.7","","","","","","","","","","","","","2","","","","","Beryllium oxide","","- Be O -","","","2","","","McKeehan, L W","The Crystal Structure of Beryllium and of Beryllium Oxide","Proceedings of the National Academy of Sciences, U.S.A.","1922","8","","270","274","10.1073/pnas.8.9.270","","","","","","","","","","","","","","","","","","","","","","201954","2020-10-21","18:00:00",""
"1010439","4.74","","4.74","","6.65","","90","","90","","120","","129.4","","","","","","","","","","","","I","2","","","","","Ice","Ice","- H2 O -","","","4","","","John, A S","The Crystal Structure of Ice","Proceedings of the National Academy of Sciences, U.S.A.","1918","4","","193","197","10.1073/pnas.4.7.193","","","","","","","","","","","","","","","","","","","","","","201954","2020-10-21","18:00:00",""
"1010440","5.665","","8.27","","7.127","","90","","92","","90","","333.7","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Silver manganate(VII)","","- Ag Mn O4 -","- Ag Mn O4 -","- Ag4 Mn4 O16 -","4","1","","Sasvári, K.","Die Struktur des Silberpermanganats AgMnO~4~","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","9","15","10.1524/zkri.1938.99.1.9","","","","","","","","","","","","","","","","","","","","","has coordinates","175087","2020-10-21","18:00:00",""
"1010441","6.13","","8.5","","9.94","","90","","90","","90","","517.9","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","Ammonium bromochloroiodate(I)","","- Br Cl H4 I N -","- Br Cl H4 I N -","- Br4 Cl4 H16 I4 N4 -","4","0.5","","Mooney, R. C. L.","The crystal structure of Ammonium Chlorobromoiodide and the Configuration of the Chlorobromoiodide Group","Zeitschrift für Kristallographie - Crystalline Materials","1938","98","1-6","324","333","10.1524/zkri.1938.98.1.324","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010442","13.09","","14.18","","4.2","","90","","95.116","","90","","776.5","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Potassium tetrachloroiodate(III)","","- Cl4 I K -","- Cl4 I K -","- Cl16 I4 K4 -","4","1","","Mooney, R. C. L.","The Configuration of the Pentahalogen Anion Group from the X-ray Structure Determination of Potassium Tetra-Chloroiodide Crystals","Zeitschrift für Kristallographie - Crystalline Materials","1938","98","1-6","377","393","10.1524/zkri.1938.98.1.377","","","","","","","","","","","","","","","","","","","","","has coordinates","175086","2020-10-21","18:00:00",""
"1010443","6.226","","11.135","","8.363","","90","","90","","90","","579.8","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Caesium chromate","","- Cr Cs2 O4 -","- Cr Cs2 O4 -","- Cr4 Cs8 O16 -","4","0.5","","Miller, J. J.","The Crystal Structure of Caesium Chromate Cs~2~CrO~4~","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","32","37","10.1524/zkri.1938.99.1.32","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010444","5.957","0.002","5.957","0.002","5.957","0.002","90","","90","","90","","211.4","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Europium(II) sulfide","","- Eu S -","- Eu S -","- Eu4 S4 -","4","0.0208333","","Nowacki, W.","Die Kristallstruktur des EuS","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","339","341","10.1524/zkri.1938.99.1.339","","","","","","","","","","","","","","","","","","","","","has coordinates","175087","2020-10-21","18:00:00",""
"1010445","7.656","","7.656","","7.539","","90","","90","","120","","382.7","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Aluminium cobalt (5:2)","","- Al5 Co2 -","- Al5 Co2 -","- Al20 Co8 -","4","0.166667","","Bradley, A. J.; Cheng, C. S.","The Crystal Structure of Co~2~Al~5~","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","480","487","10.1524/zkri.1938.99.1.480","","","","","","","","","","","","","","","","","","","","","has coordinates","175087","2020-10-21","18:00:00",""
"1010446","6.71","","6.71","","6.71","","90","","90","","90","","302.1","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium bromate","","- Br Na O3 -","- Br Na O3 -","- Br4 Na4 O12 -","4","0.333333","","Hamilton, J E","The Crystal Structure of Sodium Bromate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1938","100","","104","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010447","3.81","","3.34","","11","","90","","90","","90","","140","","","","","","","","","","","","","2","P n m n","-P 2n 2n","58","","Palladium chloride","","- Cl2 Pd -","- Cl2 Pd -","- Cl4 Pd2 -","2","0.25","","Wells, A F","The Crystal Structure of Palladous Chloride Pd Cl~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1938","100","","189","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010448","3.74","","4.71","","5.61","","90","","90","","90","","98.8","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Sodium cyanide","","- C N Na -","- C N Na -","- C2 N2 Na2 -","2","0.125","","Verweel, H J; Bijvoet, J M","Die Kristallstruktur des Na C N","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1938","100","","210","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010449","7.43","0.01","7.43","0.01","10.61","0.02","90","","90","","90","","585.7","","","","","","","","","","","","","3","C 4 2 21","","90","","Potassium hexabromostannate","","- Br6 K2 Sn -","- Br6 K2 Sn -","- Br24 K8 Sn4 -","4","","","Markstein, G; Nowotny, H","Die Kristallstrukturen von Bromostannaten A Sn Br~6~ (A= Cs, Rb, N H~4~, K )","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1938","100","","265","271","","","","","","","","","","","","","","","","","","","","","","has coordinates","277832","2022-09-14","15:07:16",""
"1010450","8.02","","8.02","","8.02","","90","","90","","90","","515.8","","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","Aluminium calcium (2:1)","","- Al2 Ca -","- Al2 Ca -","- Al16 Ca8 -","8","0.0416667","","Nowotny, H; Mohrheim, A","Die Kristallstruktur von Al~2~ Ca","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","100","","540","542","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010451","4.022","","4.022","","4.022","","89.575","","89.575","","89.575","","65.1","","","","","","","","","","","","","2","R 3 2 :R","P 3* 2","155","","Scandium fluoride","","- F3 Sc -","- F3 Sc -","- F3 Sc -","1","0.166667","","Nowacki, W","Die Kristallstruktur des Sc F~3~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","101","","273","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010452","5.096","","5.096","","8.304","","90","","90","","120","","186.8","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Nickel titanium (3:1)","","- Ni3 Ti -","- Ni3 Ti -","- Ni12 Ti4 -","4","0.166667","","Laves, F; Wallbaum, H J","Die Kristallstruktur von Ni~3~ Ti und Si~2~ Ti","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","101","","78","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010453","8.236","","4.773","","8.523","","90","","90","","90","","335","","","","","","","","","","","","Synthetic","2","F d d d :1","F 2 2 -1d","70","","Titanium silicide (1/2)","Zhiqinite","- Si2 Ti -","- Si2 Ti -","- Si16 Ti8 -","8","0.25","","Laves, F; Wallbaum, H J","Die Kristallstruktur von Ni~3~ Ti und Si~2~ Ti","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","101","","78","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1010454","8.02","0.01","8.02","0.01","7","0.02","90","","90","","90","","450.2","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Thallium thallium(III) selenide","","- Se2 Tl2 -","- Se2 Tl2 -","- Se8 Tl8 -","4","0.125","","Ketelaar, J A A; t'Hart, W H; Polder, D","The Crystal Structure of Tl Se, Thallous Thallic or Thallosic Selenide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","101","","396","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010455","10.082","","10.082","","10.082","","90","","90","","90","","1024.8","","","","","","","","","","","","","2","P -4 3 m","P -4 2 3","215","","Lithium lead (10:3) - $-gamma","","- Li10 Pb3 -","- Li10 Pb3 -","- Li40 Pb12 -","4","0.166667","","Rollier, M A; Arreghini, E","La fase gamma della lega litio-piombo Li~10~ Pb~3~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","101","","470","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010456","7.37","","8.26","","3.19","","90","","110.3","","90","","182.1","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Lithium hydroxide hydrate","","- H3 Li O2 -","- H3 Li O2 -","- H12 Li4 O8 -","4","0.5","","Pepinsky, R","Crystal Structure of Lithium Hydroxide Monohydrate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1940","102","","119","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010457","12.2","0.07","12.2","0.07","18.17","0.06","90","","90","","120","","2342.1","","","","","","","","","","","","","2","R 3 :H","R 3","146","","Thallium sulfide","","- S Tl2 -","","","27","3","","Ketelaar, J A A; Gorter, E W","Die Kristallstruktur des Thallosulfid ( Tl~2~ S )","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","101","","367","375","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1010458","7.43","","7.43","","6.97","","90","","90","","90","","384.8","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Potassium dihydrogenphosphate","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","West, J","A quantitative X-ray Analysis of the Structure of Potassium Dihydrogen Phosphate (K H~2~ P O~4~)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","74","","306","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1010459","6.34","0.005","6.34","0.005","6.34","0.005","90","","90","","90","","254.8","","","","","","","","","","","","","3","P -4 2 m","P -4 2","111","","Silver tetraiodomercurate","","- Ag2 Hg I4 -","- Ag2 Hg I4 -","- Ag2 Hg I4 -","1","0.125","","Ketelaar, J A A","Strukturbestimmung der komplexen Quecksilber-Verbindungen Ag~2~ Hg I~4~ und Cu~2~ Hg I~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","80","","190","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010460","6.08","0.01","6.08","0.01","6.135","0.01","90","","90","","90","","226.8","","","","","","","","","","","","","3","P -4 2 m","P -4 2","111","","Copper(I) tetraiodomercurate","","- Cu2 Hg I4 -","- Cu2 Hg I4 -","- Cu2 Hg I4 -","1","0.125","","Ketelaar, J A A","Strukturbestimmung der komplexen Quecksilber-Verbindungen Ag~2~ Hg I~4~ und Cu~2~ Hg I~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","80","","190","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010461","3.95","","3.95","","3.95","","90","","90","","90","","61.6","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Aluminium oxide - $-gamma","","- Al2.666 O3.999 -","- Al2.6652 O4 -","- Al2.6652 O4 -","1","0.00520833","","Verwey, E. J. W.","The Structure of the electrolytical Oxide Layer on Aluminium","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1935","91","","317","320","10.1524/zkri.1935.91.1.317","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010462","5.18","0.005","5.495","0.005","6.08","0.005","90","","90","","90","","173.1","","","","","","","","","","","","","2","F m m m","-F 2 2","69","","Thallium fluoride","","- F Tl -","- F Tl -","- F4 Tl4 -","4","0.125","","Ketelaar, J A A","Die Kristallstruktur des Thallofluorids","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","30","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010463","10.53","","10.53","","10.53","","90","","90","","90","","1167.6","","","","","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","Tetraamminecadmium rhenate(VII)","","- Cd H12 N4 O8 Re2 -","- Cd H12 N4 O8 Re2 -","- Cd4 H48 N16 O32 Re8 -","4","0.0416667","","Pitzer, K S","The Crystal Structure of Tetraamminocadmium Perrhenate, Cd (N H~3~)~4~ (Re O~4~)~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","131","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010464","8.2","0.01","8.2","0.01","8.2","0.01","90","","90","","90","","551.4","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Zirconium diphosphate","","- O7 P2 Zr -","- O7 P2 Zr -","- O28 P8 Zr4 -","4","0.166667","","Levi, G R; Peyronel, G","Struttura Cristallographica del Gruppo Isomorpho (Si,Ti,Zr,Sn,Hf) P~2~ O~7~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","190","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010465","5.029","0.005","5.029","0.005","5.029","0.005","58.52","","58.52","","58.52","","86.9","","","","","","","","","","","","","2","R 3 2 :R","P 3* 2","155","","Aluminium fluoride","","- Al F3 -","- Al F3 -","- Al2 F6 -","2","0.333333","","Ketelaar, J A A","Die Kristallstruktur der Aluminiumhalogenide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","85","","119","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010466","7.384","0.01","7.384","0.01","17.55","0.02","90","","90","","120","","828.7","","","","","","","","","","","","","4","P -3 1 c S","","163","","Potassium dicyanoargentate","","- C2 Ag K N2 -","- C2 Ag K N2 -","- C12 Ag6 K6 N12 -","6","","","Hoard, J L","The Crystal Structure of Potassium Silver Cyanide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","84","","231","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010467","8.25","","4.95","","8.44","","90","","107.9","","90","","328","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Lithium sulfate","","- Li2 O4 S -","- Li2 O4 S -","- Li8 O16 S4 -","4","1","","Albright, J G","The Crystal Structure of Lithium Sulphate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","84","","150","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010468","6.19","0.02","11.6","0.04","4.28","0.01","90","","90","","90","","307.3","","","","","","","","","","","","","3","P n c a","-P 2a 2n","60","","Calcium borate *","","- B2 Ca O4 -","- B2 Ca O4 -","- B8 Ca4 O16 -","4","0.5","","Zachariasen, W H; Ziegler, G E","The Crystal Structure of Calcium Metaborate Ca B~2~ O~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","83","","354","361","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010469","4.18","0.005","4.18","0.005","7.59","0.01","90","","90","","90","","132.6","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Lead bromide fluoride","","- Br F Pb -","- Br F Pb -","- Br2 F2 Pb2 -","2","0.125","","Nieuwenkamp, W; Bijvoet, J M","Die Kristallstruktur von Bleifluobromid Pb F Br","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","81","","157","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010470","4.624","0.001","6.789","0.001","12.445","0.001","90","","90","","90","","390.7","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","Mercury bromide","","- Br2 Hg -","- Br2 Hg -","- Br8 Hg4 -","4","0.5","","Braekken, H","Zur Kristallstruktur des Quecksilberbromids Hg Br~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","81","","152","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010473","5.905","","5.249","","3.167","","90","","90","","90","","98.2","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","Manganese phosphide (1/1)","","- Mn P -","- Mn P -","- Mn4 P4 -","4","0.5","","Fylking, K E","Phosphides and Arsenides with modified Nickel-Arsenide Structure","Arkiv foer Kemi, Mineralogi och Geologi, B","1934","11","48","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010474","5.099","","5.099","","4.24","","90","","90","","90","","110.2","","","","","","","","","","","","","2","I -4 2 m","I -4 2","121","","Iron boride (2/1)","","- B Fe2 -","- B Fe2 -","- B4 Fe8 -","4","0.25","","Bjurstroem, T","Roentgenanalyse der Systeme Eisen-Bor, Kobalt-Bor und Nickel-Bor","Arkiv foer Kemi, Mineralogi och Geologi, A","1933","11","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010475","5.006","","5.006","","4.212","","90","","90","","90","","105.6","","","","","","","","","","","","","2","I -4 2 m","I -4 2","121","","Cobalt boride (2/1)","","- B Co2 -","- B Co2 -","- B4 Co8 -","4","0.25","","Bjurstroem, T","Roentgenanalyse der Systeme Eisen-Bor, Kobalt-Bor und Nickel-Bor","Arkiv foer Kemi, Mineralogi och Geologi, A","1933","11","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010476","4.98","","4.98","","4.236","","90","","90","","90","","105.1","","","","","","","","","","","","","2","I -4 2 m","I -4 2","121","","Nickel boride (2/1)","","- B Ni2 -","- B Ni2 -","- B4 Ni8 -","4","0.25","","Bjurstroem, T","Roentgenanalyse der Systeme Eisen-Bor, Kobalt-Bor und Nickel-Bor","Arkiv foer Kemi, Mineralogi och Geologi, A","1933","11","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010477","4.053","","5.495","","2.946","","90","","90","","90","","65.6","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","Iron boride (1/1)","","- B Fe -","- B Fe -","- B4 Fe4 -","4","0.5","","Bjurstroem, T","Roentgenanalyse der Systeme Eisen-Bor, Kobalt-Bor und Nickel-Bor","Arkiv foer Kemi, Mineralogi och Geologi, A","1933","11","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010478","3.948","","5.243","","3.307","","90","","90","","90","","68.5","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","Cobalt boride (1/1)","","- B Co -","- B Co -","- B4 Co4 -","4","0.5","","Bjurstroem, T","Roentgenanalyse der Systeme Eisen-Bor, Kobalt-Bor und Nickel-Bor","Arkiv foer Kemi, Mineralogi och Geologi, A","1933","11","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010479","8.32","","8.28","","5.9","","90","","90","","90","","406.4","","","","","","","","","","","","","5","P b m a","-P 2a 2ab","57","","Potassium amidosulfate","","- H2 K N O3 S -","- H2 K N O3 S -","- H8 K4 N4 O12 S4 -","4","0.5","","Brown, C J; Cox, E G","The Crystal Structure of Potassium Sulphamate","Journal of the Chemical Society","1940","1940","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010480","6.45","","6.45","","15.98","","90","","90","","120","","575.7","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Nonacarbonyl diiron","","- C9 Fe2 O9 -","- C9 Fe2 O9 -","- C18 Fe4 O18 -","2","0.166667","","Powell, H M; Ewens, R V G","The Crystal Structure of Iron Enneacarbonyl","Journal of the Chemical Society","1939","1939","","286","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1010481","9.18","","9.18","","14.47","","90","","90","","90","","1219.4","","","","","","","","","","","","","3","I 4/m c m (a+1/4,b-1/4,c+1/4)","-I 4 2c (x-1/4,y+1/4,z-1/4)","140","","Tricaesium cobalt chloride","","- Cl5 Co Cs3 -","- Cl10 Co2 Cs6 -","- Cl40 Co8 Cs24 -","4","","","Powell, H M; Wells, A F","The Structure of Caesium Cobalt Chloride ( Cs~3~ Co Cl~5~ )","Journal of the Chemical Society","1935","1935","","359","362","","","","","","","","","","","","","","","","","","","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1010482","12.43","","12.43","","5.52","","90","","90","","90","","852.9","","","","","","","","","","","","","6","I -4","I -4","82","","Tetrakisthioacetamide copper(I) chloride","","- C8 H20 Cl Cu N4 S4 -","- C8 H20 Cl Cu N4 S4 -","- C16 H40 Cl2 Cu2 N8 S8 -","2","0.25","","Cox, E G; Wardlaw, W; Webster, K C","The Stereochemistry of Quadricovalent Atoms: Copper and Silver","Journal of the Chemical Society","1936","1936","","775","781","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010483","12.59","","12.59","","5.37","","90","","90","","90","","851.2","","","","","","","","","","","","","6","I -4","I -4","82","","Tetrakisthioacetamide silver(I) chloride","","- C8 H20 Ag Cl N4 S4 -","- C8 H20 Ag Cl N4 S4 -","- C16 H40 Ag2 Cl2 N8 S8 -","2","0.25","","Cox, E G; Wardlaw, W; Webster, K C","The Stereochemistry of Quadricovalent Atoms: Copper and Silver","Journal of the Chemical Society","1936","1936","","775","781","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010484","3.13","","3.13","","4.75","","90","","90","","120","","40.3","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Magnesium hydroxide","","- H2 Mg O2 -","- H3 Mg O2 -","- H3 Mg O2 -","1","0.0833333","","Aminoff, G","Ueber die Struktur des Magnesiumhydroxides.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1921","56","","505","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010485","6.56","","6.56","","6.56","","90","","90","","90","","282.3","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium chlorate","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","0.333333","","Wulff, G","Ueber die Struktur des Natriumchlorats.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1922","57","","190","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010486","4.718","","4.718","","4.718","","90","","90","","90","","105","","","","","","","","","","","","","2","P n -3 m :1","P 4n 2 3 -1n","224","","Silver oxide","","- Ag2 O -","- Ag2 O -","- Ag4 O2 -","2","0.0416667","","Niggli, P","Die Kristallstruktur einiger Oxyde I.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1922","57","","253","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010487","5.17","0.05","5.17","0.05","5.17","0.05","39.73","0.05","39.73","0.05","39.73","0.05","50.8","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Sodium hydrogen difluoride","","- F2 H Na -","- F2 H Na -","- F2 H Na -","1","0.0833333","","Rinne, F; Hentschel, H; Leonhardt, J","Ueber feinbauliche Versuche zur Konstitution des Natriumhydrofluorids unter Verwendung der Atombereiche und ueber die roentgenographische Erforschung dieser Verbindung.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1923","58","","629","640","","","","","","","","","","","","","","","","","","","","","","has coordinates","296856","2024-12-12","15:19:13",""
"1010488","5.4","","5.4","","8.81","","90","","90","","120","","222.5","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Sodium antimony(V) dialuminium oxide","","- Al2 Na O6 Sb -","- Al2 Na O Sb -","- Al4 Na2 O2 Sb2 -","2","0.0833333","","Aminoff, G","Ueber ein neues Mineral von Langban.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1924","60","","262","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010489","5.62","","5.62","","5.62","","90","","90","","90","","177.5","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Carbon dioxide","","- C O2 -","- C O2 -","- C4 O8 -","4","0.166667","","Mark, H.; Pohland, E.","Das Gitter des festen Kohlendioxyds","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1924","61","","293","298","10.1524/zkri.1924.61.1.293","","","","","","","","","","","","","","","","","","","","","has coordinates","209053","2020-10-21","18:00:00",""
"1010490","5.193","","5.193","","5.193","","90","","90","","90","","140","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Ammonia","","- H3 N -","- H3 N -","- H12 N4 -","4","0.333333","","Mark, H; Pohland, E","Das Gitter des Ammoniaks.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1925","61","","532","537","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010491","4.54","","4.54","","8.69","","90","","90","","120","","155.1","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Diborane","","- B2 H6 -","- B2 H6 -","- B4 H12 -","2","0.0833333","","Mark, H; Pohland, E","Ueber die Gitterstruktur des Aethans und des Diborans.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1925","62","","103","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010492","5.62","","5.62","","5.62","","90","","90","","90","","177.5","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Carbon dioxide","","- C O2 -","- C O2 -","- C4 O8 -","4","0.166667","","de Smedt, J.; Keesom, W. H.","Das Gitter des festen Kohlendioxyds","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1925","62","","312","313","10.1524/zkri.1925.62.1.312","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010493","5.996","","5.996","","5.996","","90","","90","","90","","215.6","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Silver phosphate","","- Ag3 O4 P -","- Ag3 O P -","- Ag6 O2 P2 -","2","0.0833333","","Wyckoff, R W G","Die Kristallstruktur von Silberphosphat und Silberarsenat (Ag~3~ X O~4~).","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1925","62","","529","539","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010494","6.124","","6.124","","6.124","","90","","90","","90","","229.7","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Silver arsenate","","- Ag3 As O4 -","- Ag3 As O -","- Ag6 As2 O2 -","2","0.0833333","","Wyckoff, R W G","Die Kristallstruktur von Silberphosphat und Silberarsenat (Ag~3~ X O~4~).","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1925","62","","529","539","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010495","3.83","","3.83","","3.83","","90","","90","","90","","56.2","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Lithium chloride hydrate","","- Cl H2 Li O -","- Cl H3 Li O -","- Cl H3 Li O -","1","0.0208333","","Ott, H.","Das Gitter des Monohydrats des Li Cl (Li Cl + H~2~ O)","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1926","63","","231","235","10.1524/zkri.1926.63.1.231","","","","","","","","","","","","","","","","","","","","","has coordinates","297257","2025-01-10","07:01:46",""
"1010496","5.63","","5.63","","5.63","","90","","90","","90","","178.5","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Carbon dioxide","","- C O2 -","- C O2 -","- C4 O8 -","4","0.166667","","Kruener, H","Die Kristallstruktur des festen Kohlendioxyds.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","63","","275","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010497","4.755","","10.21","","5.985","","90","","90","","90","","290.6","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Magnesium iron(II) silicate (1.8/.2/1)","Olivine","- Fe0.2 Mg1.8 O4 Si -","- Fe0.2 Mg1.8 O4 Si -","- Fe0.8 Mg7.2 O16 Si4 -","4","0.5","","Bragg, W L; Brown, G B","Die Struktur des Olivins.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","63","","538","556","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010498","5.62","","5.62","","5.62","","90","","90","","90","","177.5","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Carbon dioxide","","- C O2 -","- C O2 -","- C4 O8 -","4","0.166667","","Mark, H; Pohland, E","Zur Kristallstruktur des festen Kohlendioxyds.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","63","","113","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010499","9.67","","9.67","","8.92","","90","","90","","90","","834.1","","","","","","","","","","","","","3","I -4 2 d S","","122","","Mercury cyanide","","- C2 Hg N2 -","- C2 Hg N2 -","- C16 Hg8 N16 -","8","","","Hassel, O.","Roentgenographische Untersuchung des tetragonal kristallisierenden Quecksilberzyanids.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","64","","218","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1010500","5.73","0.01","5.73","0.01","5.73","0.01","90","","90","","90","","188.1","","","","","","","","","","","","","2","P n -3 :1","P 2 2 3 -1n","201","","Calcium duo-dicarbide","","- C4 Ca2 -","- C4 Ca2 -","- C8 Ca4 -","2","0.0833333","","Dehlinger, U; Glocker, R","Die Kristallstruktur des Calciumcarbides.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","64","","296","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1010501","12.23","","12.23","","12.23","","90","","90","","90","","1829.3","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Tin(IV) iodide","","- I4 Sn -","- I4 Sn -","- I32 Sn8 -","8","0.333333","","Dickinson, R G","Die Symmetrie und der Elementarbereich von Zinntetrajodid.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","64","","400","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010502","8.61","","8.61","","8.61","","90","","90","","90","","638.3","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Uranium diphosphate","","- O7 P2 U -","- O2 P U -","- O8 P4 U4 -","4","0.166667","","Peyronel, G","Struttura del Pirofosfato di Uranio: U P~2~ O~7~.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","311","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010503","5.11","","5.11","","5.11","","43.83","","43.83","","43.83","","58.1","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Calcium cyanamide","","- C Ca N2 -","- C Ca N2 -","- C Ca N2 -","1","0.0833333","","Dehlinger, U","Ueber die Rumgruppe von (C N~2~ H~2~)~2~ und die Kristallstruktur von Ca C N~2~.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1927","65","","286","290","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010504","10.22","","10.22","","10.22","","90","","90","","90","","1067.5","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Diantimony(IV) oxide","","- O4 Sb2 -","- O4 Sb2 -","- O64 Sb32 -","16","0.0833333","","Dehlinger, U","Ueber die Kristallstruktur der Antimonoxyde.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1927","66","","108","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1010505","10.22","","10.22","","10.22","","90","","90","","90","","1067.5","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Antimony(V) oxide","","- O5 Sb2 -","- O5 Sb2 -","- O80 Sb32 -","16","0.0833333","","Dehlinger, U.","Uber die kristallstruktur der antimonoxyde","Zeitschrift fur Kristallographie","1927","66","","108","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:20",""
"1010506","8.49","","8.49","","7.91","","90","","90","","90","","570.2","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Silver chlorate","","- Ag Cl O3 -","- Ag Cl O0.75 -","- Ag8 Cl8 O6 -","8","0.25","","Harang, L","Ueber die Kristallstruktur der tetragonalen Verbindungen Ag Cl O~3~ und Ag Br O~3~.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1927","66","","399","407","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010507","8.59","","8.59","","8.08","","90","","90","","90","","596.2","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Silver bromate","","- Ag Br O3 -","- Ag Br O0.75 -","- Ag8 Br8 O6 -","8","0.25","","Harang, L","Ueber die Kristallstruktur der tetragonalen Verbindungen Ag Cl O~3~ und Ag Br O~3~.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1927","66","","399","407","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010508","10.3","","10.3","","10.3","","90","","90","","90","","1092.7","","","","","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","Tricopper(I) antimony sulfide","","- Cu3 S3 Sb -","- Cu3 S3 Sb -","- Cu24 S24 Sb8 -","8","0.166667","","Machatschki, F","Praezisionsmessungwn der Gitterkonstanten verschiedener Fahlerze. Formel und Struktur derselben.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1928","68","","204","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010509","9.73","","9.73","","9.73","","90","","90","","90","","921.2","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium hexachloroplatinate","","- Cl6 K2 Pt -","- Cl6 K2 Pt -","- Cl24 K8 Pt4 -","4","0.0208333","","Ewing, F J; Pauling, L","The Crystal Structure of Potassium Chloroplatinate.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1928","68","","223","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010510","3.058","","3.058","","4.961","","90","","90","","120","","40.2","","","","","","","","","","","","","2","P -6","P -6","174","","Niobium nitride (2/1)","","- N Nb2 -","- N Nb2 -","- N Nb2 -","1","0.166667","","Brauer, G.","Zur Frage der niederen Oxyde von Niob und über ein Niob-Subnitrid","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1940","46","7","397","402","10.1002/bbpc.19400460704","","","","","","","","","","","","","","","","","","","","","has coordinates","174979","2020-10-21","18:00:00",""
"1010511","6.72","","6.72","","6.72","","90","","90","","90","","303.5","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium bromate","","- Br Na O3 -","- Br Na O3 -","- Br4 Na4 O12 -","4","0.333333","","Vegard, L","Die Lage der Atome in den optisch aktiven Kristallen Na Cl O~3~ und Na Br O~3~.","Zeitschrift fuer Physik","1922","12","","289","303","10.1007/BF01328099","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010512","6.58","","6.58","","6.58","","90","","90","","90","","284.9","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium chlorate","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","0.333333","","Vegard, L","Die Lage der Atome in den optisch aktiven Kristallen Na Cl O~3~ und Na Br O~3~.","Zeitschrift fuer Physik","1922","12","","289","303","10.1007/BF01328099","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010513","6.55","","6.55","","6.55","","90","","90","","90","","281","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium chlorate","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","0.333333","","Kiby, W","Die Kristallstruktur von ""Natriumchlorat"" (Na Cl O~3~).","Zeitschrift fuer Physik","1923","17","","213","250","10.1007/BF01328680","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010514","3.113","","3.113","","4.981","","90","","90","","120","","41.8","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Aluminium nitride","","- Al N -","- Al N -","- Al2 N2 -","2","0.166667","","Ott, H","Das Gitter des Aluminiumnitrids (Al N).","Zeitschrift fuer Physik","1924","22","","201","214","10.1007/BF01328124","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010515","9.35","","9.35","","9.35","","90","","90","","90","","817.4","","","","","","","","","","","","","4","P n -3 m :1","P 4n 2 3 -1n","224","","Triammonium zirconium fluoride","","- F7 H12 N3 Zr -","- F7 H12 N3 Zr -","- F28 H48 N12 Zr4 -","4","0.0833333","","Hassel, O; Mark, H","Ueber die Struktur der isomorphen Verbindungen (N H~4~)~3~ Zr F~7~ und (N H~4~)~3~ Hf F~7.~","Zeitschrift fuer Physik","1924","27","","89","101","10.1007/BF01328017","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010516","7.77","","7.77","","7.77","","90","","90","","90","","469.1","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Dinitrogen tetraoxide","","- N2 O4 -","- N2 O4 -","- N12 O24 -","6","0.25","","Vegard, L","Die Struktur von festem N~2~ O~4~ bei der Temperatur von fluessiger Luft.","Zeitschrift fuer Physik","1931","68","","184","203","10.1007/BF01390966","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010517","15.841","0.02","15.841","0.02","18.005","0.02","90","","90","","90","","4518.1","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Potassium hexachlorothallate dihydrate","","- Cl6 H4 K3 O2 Tl -","- Cl6 H4 K3 O2 Tl -","- Cl84 H56 K42 O28 Tl14 -","14","0.4375","","Hoard, J L; Goldstein, L","The Structure of Potassium Hexachlorothalliate Dihydrate","Journal of Chemical Physics","1935","3","","645","649","10.1063/1.1749568","","","","","","","","","","","","","","","","","","","","","has coordinates","186639","2020-10-21","18:00:00",""
"1010518","16.95","","16.95","","19.45","","90","","90","","90","","5588","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Rubidium hexabromothallate 1.143-hydrate","","- Br6 H2.286 O1.143 Rb3 Tl -","- Br6 H2.28571 O1.14286 Rb3 Tl -","- Br84 H32 O16 Rb42 Tl14 -","14","0.4375","","Hoard, J L; Goldstein, L","The Structure of Potassium Hexachlorothalliate Dihydrate","Journal of Chemical Physics","1935","3","","645","649","10.1063/1.1749568","","","","","","","","","","","","","","","","","","","","","has coordinates","186639","2020-10-21","18:00:00",""
"1010519","7.42","0.07","4.29","0.04","14.1","","90","","92","","90","","448.6","","","","","","","","","","","","","1","C 1 2 1","C 2y","5","","Polonium","","- Po -","- Po -","- Po12 -","12","3","","Rollier, M A; Hendricks, S B; Maxwell, L R","The Crystal Structure of Polonium by Electron Diffraction","Journal of Chemical Physics","1936","4","","648","652","10.1063/1.1749762","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010520","11.66","0.05","22.34","0.1","6.86","0.03","90","","90","","90","","1786.9","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","Germanium sulfide","","- Ge S2 -","- Ge S2 -","- Ge24 S48 -","24","1.5","","Zachariasen, W H","The Crystal Structure of Germanium Disulphide","Journal of Chemical Physics","1936","4","","618","619","10.1063/1.1749915","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010521","7.76","","7.76","","7.76","","110.6","","110.6","","110.6","","343.9","","","","","","","","","","","","","3","R -3 c :R","-P 3* 2n","167","","Potassium borate *","","- B3 K3 O6 -","- B3 K3 O6 -","- B6 K6 O12 -","2","0.166667","","Zachariasen, W H","The Crystal Structure of Potassium Metaborate K~3~ (B~3~ O~6~)","Journal of Chemical Physics","1937","5","","919","922","10.1063/1.1749962","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010522","5.59","0.02","8.93","0.02","6.98","0.02","90","","90","","90","","348.4","","","","","","","","","","","","","3","P b n n","-P 2n 2b","52","","Sodium sulfate - III","","- Na2 O4 S -","- Na2 O4 S -","- Na8 O16 S4 -","4","0.5","","Frevel, L K","The Crystal Structure of Sodium Sulfate III","Journal of Chemical Physics","1940","8","","290","290","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010523","5.441","0.004","5.441","0.004","6.133","0.007","90","","90","","120","","157.2","","","","","","","","","","","","","3","P -3","-P 3","147","","Sodium sulfate(IV)","","- Na2 O3 S -","- Na2 O3 S -","- Na4 O6 S2 -","2","0.333333","","Zachariasen, W H; Buckley, H E","The Crystal Lattice of Anhydrous Sodium Sulphite,Na~2~ S O~3~","Physical Review (1,1893-132,1963/141,1966-188,1969)","1931","37","","1295","1305","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010524","6.95","","6.19","","7.55","","90","","102.68","","90","","316.9","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Potassium pentaoxoduo-disulfate(IV)","","- K2 O5 S2 -","- K2 O5 S2 -","- K4 O10 S4 -","2","0.5","","Zachariasen, W H","The Crystal Lattice of Potassium Pyrosulphite,K~2~ S~2~ O~5~ and the Structure of the Pyrosulphite Group","Physical Review (1,1893-132,1963/141,1966-188,1969)","1932","40","","923","935","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010525","3.55","","5.56","","5.37","","90","","90","","90","","106","","","","","","","","","","","","","3","I m 2 m","I -2 -2","44","","Sodium nitrate(III)","","- N Na O2 -","- N Na O2 -","- N2 Na2 O4 -","2","0.25","","Ziegler, G E","The Crystal Structure of Sodium Nitrite,Na N O~2~","Physical Review (1,1893-132,1963/141,1966-188,1969)","1931","38","","1040","1047","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010526","2.694","","2.694","","4.393","","90","","90","","120","","27.6","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Beryllium oxide","","- Be O -","- Be O -","- Be2 O2 -","2","0.166667","","Zachariasen, W H","Ueber die Kristallstruktur von Be O","Norsk Geologisk Tidsskrift","1925","8","","189","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010527","6.12","0.06","10.7","0.1","5.97","0.06","82.27","","107.43","","102.67","","362.9","","","","","","","","","","","","","4","P -1","-P 1","2","","Copper sulfate pentahydrate","","- Cu H10 O9 S -","- Cu H10 O9 S -","- Cu2 H20 O18 S2 -","2","1","","Beevers, C A; Lipson, H","The Crystal Structure of Copper Sulfate Pentahydrate Cu S O~4~ (H~2~ O)~5~","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1934","146","","570","582","10.1098/rspa.1934.0173","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010528","12.215","","12.215","","12.215","","90","","90","","90","","1822.6","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Ammonium aluminium sulfate dodecahydrate","","- Al H28 N O20 S2 -","","","4","0.166667","","Lipson, H; Beevers, C A","The Crystal Structure of the Alums","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1934","148","","664","680","10.1098/rspa.1935.0040","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010529","12.171","","12.171","","12.171","","90","","90","","90","","1802.9","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Potassium chromium sulfate dodecahydrate","","- Cr H24 K O20 S2 -","","","4","0.166667","","Lipson, H; Beevers, C A","The Crystal Structure of the Alums","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1934","148","","664","680","10.1098/rspa.1935.0040","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010530","12.333","","12.333","","12.333","","90","","90","","90","","1875.9","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Caesium aluminium sulfate dodecahydrate","","- Al Cs H24 O20 S2 -","","","4","0.166667","","Lipson, H; Beevers, C A","The Crystal Structure of the Alums","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1934","148","","664","680","10.1098/rspa.1935.0040","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010531","12.207","","12.207","","12.207","","90","","90","","90","","1819","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Thallium aluminium sulfate dodecahydrate","","- Al H24 O20 S2 Tl -","","","4","0.166667","","Lipson, H; Beevers, C A","The Crystal Structure of the Alums","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1934","148","","664","680","10.1098/rspa.1935.0040","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010532","12.293","","12.293","","12.293","","90","","90","","90","","1857.7","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Ammonium iron(III) sulfate dodecahydrate","","- Fe H28 N O20 S2 -","","","4","0.166667","","Lipson, H; Beevers, C A","The Crystal Structure of the Alums","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1934","148","","664","680","10.1098/rspa.1935.0040","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010533","12.351","","12.351","","12.351","","90","","90","","90","","1884.1","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Potassium aluminium selenate dodecahydrate","","- Al H24 K O20 Se2 -","","","4","0.166667","","Lipson, H; Beevers, C A","The Crystal Structure of the Alums","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1934","148","","664","680","10.1098/rspa.1935.0040","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010534","9.44","0.01","11.87","0.01","16.49","0.02","90","","117.27","0.08","90","","1642.4","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Cadmium sulfate 2.66-hydrate","","- Cd H5.334 O6.667 S -","- Cd H8 O6.66667 S -","- Cd12 H96 O80 S12 -","12","1.5","","Lipson, H","The Crystal Structure of (Cd S O~4~)~3~ (H~2~ O)~8~","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1936","156","","462","470","10.1098/rspa.1936.0161","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010535","6.07","","6.07","","6.07","","90","","90","","90","","223.6","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Zinc telluride","","- Te Zn -","- Te Zn -","- Te4 Zn4 -","4","0.0208333","","Zachariasen, W H","Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber","Norsk Geologisk Tidsskrift","1926","8","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010536","6.41","","6.41","","6.41","","90","","90","","90","","263.4","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Cadmium telluride","","- Cd Te -","- Cd Te -","- Cd4 Te4 -","4","0.0208333","","Zachariasen, W H","Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber","Norsk Geologisk Tidsskrift","1926","8","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010537","6.36","","6.36","","6.36","","90","","90","","90","","257.3","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Mercury telluride","","- Hg Te -","- Hg Te -","- Hg4 Te4 -","4","0.0208333","","Zachariasen, W H","Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber","Norsk Geologisk Tidsskrift","1926","8","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010538","6.07","","6.07","","6.07","","90","","90","","90","","223.6","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Zinc telluride","","- Te Zn -","- Te Zn -","- Te4 Zn4 -","4","0.0416667","","Zachariasen, W H","Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber","Norsk Geologisk Tidsskrift","1926","8","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010539","6.41","","6.41","","6.41","","90","","90","","90","","263.4","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Cadmium telluride","","- Cd Te -","- Cd Te -","- Cd4 Te4 -","4","0.0416667","","Zachariasen, W H","Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber","Norsk Geologisk Tidsskrift","1926","8","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010540","6.007","0.006","6.007","0.006","4.035","0.004","90","","90","","90","","145.6","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Ammonium bromide","","- Br H4 N -","- Br H4 N -","- Br2 H8 N2 -","2","0.125","","Ketelaar, J A A","Crystal Structure of the Low Temperature Modification of Ammonium Bromide","Nature (London)","1934","134","","250","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010541","9.21","0.01","9.21","0.01","9.17","0.01","90","","90","","120","","673.6","","","","","","","","","","","","","4","P 6/m c c S","","192","","Triberyllium dialuminium catena-silicate","","- Al2 Be3 O18 Si6 -","- Al2 Be3 O18 Si6 -","- Al4 Be6 O36 Si12 -","2","","","Bragg, W L","The Structure of Beryl, Be~3~ Al~2~ Si~6~ O~18~","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1926","111","","691","714","10.1098/rspa.1926.0088","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010542","8.85","","5.43","","7.13","","90","","90","","90","","342.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Barium sulfate","Baryte","- Ba O4 S -","- Ba O4 S -","- Ba4 O16 S4 -","4","0.5","","James, R. W.; Wood, W. A.","The Crystal Structures of Barytes, Celestine and Anglesite","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1925","109","","598","620","10.1098/rspa.1925.0148","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010543","8.36","","5.36","","6.84","","90","","90","","90","","306.5","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Strontium sulfate","Celestine","- O4 S Sr -","- O4 S Sr -","- O16 S4 Sr4 -","4","0.5","","James, R. W.; Wood, W. A.","The Crystal Structures of Barytes, Celestine and Anglesite","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1925","109","","598","620","10.1098/rspa.1925.0148","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010544","4.49","0.07","7.53","0.02","8.97","0.03","90","","90","","90","","303.3","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Samarium(II) chloride","","- Cl2 Sm -","","","4","0.5","","Doell, W; Klemm, W","Ueber die Struktur einiger Dihalogenide","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","241","","239","258","10.1002/zaac.19392410211","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010545","4.48","0.02","4.48","0.02","6.96","0.03","90","","90","","120","","121","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Ytterbium(II) iodide","","- I2 Yb -","","","1","0.0833333","","Doell, W; Klemm, W","Ueber die Struktur einiger Dihalogenide","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","241","","239","258","10.1002/zaac.19392410211","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010546","3.95","0.05","3.95","0.05","6.16","","90","","90","","120","","83.2","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Chromium(II) telluride","","- Cr Te -","","","2","0.0833333","","Haraldsen, H; Neuber, A","Magnetische und roentgenographische Untersuchungen am System Chrom- Tellur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1937","234","","358","371","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010547","10.42","","10.71","","9.365","","90","","90","","90","","1045.1","","","","","","","","","","","","","4","","","","","Cadmium selenate dihydrate","","- Cd H4 O6 Se -","","","8","","","Kokkoros, P","Vergleichende roentgenographische Untersuchungen von Arsenaten und Selenaten","Praktika tes Akademias Athenon","1938","13","","337","344","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010548","10.47","","10.51","","9.24","","90","","90","","90","","1016.8","","","","","","","","","","","","","4","","","","","Manganese selenate dihydrate","","- H4 Mn O6 Se -","","","8","","","Kokkoros, P","Vergleichende roentgenographische Untersuchungen von Arsenaten und Selenaten","Praktika tes Akademias Athenon","1938","13","","337","344","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010549","12.72","","12.72","","5.18","","90","","90","","120","","725.8","","","","","","","","","","","","from Dodo, Korea","6","P 63","P 6c","173","","Trisodium calcium trialuminium tris(silicate) carbonate","Cancrinite","- C Al3 Ca Na3 O15 Si3 -","- C6 Al6 Ca6 Na12 O30 Si6 -","- C6 Al6 Ca6 Na12 O30 Si6 -","1","0.166667","","Kôzu, Shukusuké; Takané, Katsutoshi","Crystal structure of Cancrinite from Dôdô, Korea, II","Proceedings of the Imperial Academy (Tokyo)","1933","9","3","105","108","10.2183/pjab1912.9.105","","","","","","","","","","","","","","","","","","","","","has coordinates","209441","2020-10-21","18:00:00",""
"1010550","11.83","0.005","11.83","0.005","11.83","0.005","90","","90","","90","","1655.6","","","","","","","","","","","","","5","","","","","Tricaesium dodecatungstatophosphate hydrate","","- Cs3 H2 O41 P W12 -","","","","","","Santos, J A","An X-Ray Study of the Caesium Salts of Certain 12-Heteropoly Acids","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1935","150","","309","322","10.1098/rspa.1935.0103","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010551","11.832","0.004","11.832","0.004","11.832","0.004","90","","90","","90","","1656.4","","","","","","","","","","","","","5","","","","","Tricaesium dihydrogen dodecatungstoborate hydrate","","- B Cs3 H4 O41 W12 -","","","","","","Santos, J A","An X-Ray Study of the Caesium Salts of Certain 12-Heteropoly Acids","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1935","150","","309","322","10.1098/rspa.1935.0103","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010552","11.79","0.01","11.79","0.01","11.79","0.01","90","","90","","90","","1638.9","","","","","","","","","","","","","4","","","","","Caesium tungstate hydrate *","","- Cs3 H7 O41 W12 -","","","","","","Santos, J A","An X-Ray Study of the Caesium Salts of Certain 12-Heteropoly Acids","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1935","150","","309","322","10.1098/rspa.1935.0103","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010553","6.305","","6.305","","6.535","","90","","90","","120","","225","","","","","","","","","","","","","4","","","","","Calcium bis(chlorate(I)) tetrahydroxide","","- Ca3 Cl2 H4 O6 -","","","1","","","Bunn, C W; Clark, L M; Clifford, I L","The Constitution and Formation of Bleaching Powder","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1935","151","","141","167","10.1098/rspa.1935.0138","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010554","12.04","","12.04","","8.65","","90","","90","","90","","1253.9","","","","","","","","","","","","","4","","","","","Calcium bis(chlorate(I)) trihydrate","","- Ca Cl2 H6 O5 -","","","8","","","Bunn, C W; Clark, L M; Clifford, I L","The Constitution and Formation of Bleaching Powder","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1935","151","","141","167","10.1098/rspa.1935.0138","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010555","3.173","0.005","3.173","0.005","6.96","0.05","90","","90","","90","","70.1","","","","","","","","","","","","","4","","","","","Cobalt hydroxide nitrate *","","- Co H1.5 N0.5 O3 -","","","1","","","Feitknecht, W","Ueber die Konstitution der festen basischen Salze zweiwertiger Metalle","Helvetica Chimica Acta","1937","20","","177","188","10.1002/hlca.19370200123","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010556","3.176","","3.176","","4.64","","90","","90","","120","","40.5","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Cobalt zinc hydroxide *","","- Co0.5 H2 O2 Zn0.5 -","","","3","0.25","","Feitknecht, W.","Über die α-Form der Hydroxide zweiwertiger Metalle","Helvetica Chimica Acta","1938","21","1","766","784","10.1002/hlca.19380210199","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010557","10.57","0.01","10.57","0.01","10.57","0.01","90","","90","","90","","1180.9","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium hexabromostannate","","- Br6 H8 N2 Sn -","","","4","0.0208333","","Ketelaar, A A; Rietdijk, A A; van Staveren, C H","Die Kristallstruktur von Ammonium-, Kalium-, Rubidium- und Caesiumstannibromid","Recueil des Travaux Chimiques des Pays-Bas et de la Belgique","1937","56","","907","908","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010558","10.58","0.01","10.58","0.01","10.58","0.01","90","","90","","90","","1184.3","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium hexabromostannate","","- Br6 Rb2 Sn -","","","4","0.0208333","","Ketelaar, A A; Rietdijk, A A; van Staveren, C H","Die Kristallstruktur von Ammonium-, Kalium-, Rubidium- und Caesiumstannibromid","Recueil des Travaux Chimiques des Pays-Bas et de la Belgique","1937","56","","907","908","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010559","10.77","0.01","10.77","0.01","10.77","0.01","90","","90","","90","","1249.2","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexabromostannate","","- Br6 Cs2 Sn -","","","4","0.0208333","","Ketelaar, A A; Rietdijk, A A; van Staveren, C H","Die Kristallstruktur von Ammonium-, Kalium-, Rubidium- und Caesiumstannibromid","Recueil des Travaux Chimiques des Pays-Bas et de la Belgique","1937","56","","907","908","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010560","6.364","","7.343","","3.875","","90","","90","","90","","181.1","","","","","","","","","","","","","2","P n a m","-P 2c 2n","62","","Strontium hydride","","- H2 Sr -","- H2 Sr -","- H8 Sr4 -","4","0.5","","Zintl, E.; Harder, A.","Konstitution der Erdalkalihydride","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1935","41","1","33","52","10.1002/bbpc.19350410110","","","","","","","","","","","","","","","","","","","","","has coordinates","174981","2020-10-21","18:00:00",""
"1010561","5.936","","6.838","","3.6","","90","","90","","90","","146.1","","","","","","","","","","","","","2","","","","","Calcium hydride","","- Ca H2 -","","","4","","","Zintl, E.; Harder, A.","Konstitution der Erdalkalihydride","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1935","41","1","33","52","10.1002/bbpc.19350410110","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010562","6.788","","7.829","","4.167","","90","","90","","90","","221.4","","","","","","","","","","","","","2","","","","","Barium hydride","","- Ba H2 -","","","4","","","Zintl, E.; Harder, A.","Konstitution der Erdalkalihydride","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1935","41","1","33","52","10.1002/bbpc.19350410110","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010563","3.475","0.001","3.475","0.001","8.51","","90","","90","","120","","89","","","","","","","","","","","","","2","P 1","P 1","1","","Aluminium chloride","","- Al Cl3 -","- Al Cl3 -","- Al Cl3 -","1","1","","Laschkarew, W E","Zur Struktur Al Cl~3~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1930","193","","270","276","10.1002/zaac.19301930123","","","0.71","","","","","","","","","","","","","","","","","","has coordinates","202104","2020-10-21","18:00:00",""
"1010564","21.66","","21.66","","21.54","","90","","90","","120","","8751.7","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Boron tungsten oxide hydrate *","","- B2 H124 O149 W28 -","","","14","1.16667","","Kraus, O","Zur Kristallchemie der Heteropolysaeuren: Gibt es eine ""isomere Borwolframsaeure""?","Naturwissenschaften","1940","28","","238","239","10.1007/BF01491436","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010565","7.78","","7.78","","11.41","","90","","90","","90","","690.6","","","","","","","","","","","","","3","P 4/m","-P 4","83","","Iron(III) niobium oxide","Fergusonite titanian","- Fe Nb O4 -","","","8","1","","Barth, T","The structure of Risorite","Norsk Geologisk Tidsskrift","1926","9","","37","39","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010566","6.814","","6.814","","6.814","","46.33","","46.33","","46.33","","151.1","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Potassium catena-antimonate","","- K O3 Sb -","- K O3 Sb -","- K2 O6 Sb2 -","2","0.333333","","Spiegelberg, P","X-Ray Studies on Potassium Antimonates","Arkiv foer Kemi, Mineralogi och Geologi, A","1940","14","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010567","9.01","","14.93","","4.01","","90","","90","","90","","539.4","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Rubidium trichlorocadmate","","- Cd Cl3 Rb -","- Cd Cl3 Rb -","- Cd4 Cl12 Rb4 -","4","0.5","","MacGillavry, C H; Nijveld, H; Dierdorp, S; Karsten, J","Die Krystallstruktur von NH~4~CdCl~3~ und RbCdCl~3~","Recueil des Travaux Chimiques des Pays-Bas et de la Belgique","1939","58","","193","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010568","7.47","","7.47","","7.47","","90","","90","","90","","416.8","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Potassium chlorate(VII)","","- Cl K O4 -","- Cl K O4 -","- Cl4 K4 O16 -","4","0.0416667","","Herrmann, K; Ilge, W","Roentgenographische Strukturerforschung der kubischen Modifikation der Perchlorate.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","41","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010569","7.63","","7.63","","7.63","","90","","90","","90","","444.2","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Ammonium chlorate(VII)","","- Cl H4 N O4 -","- Cl H4 N O4 -","- Cl4 H16 N4 O16 -","4","0.0416667","","Herrmann, K; Ilge, W","Roentgenographische Strukturerforschung der kubischen Modifikation der Perchlorate.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","41","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010570","7.61","","7.61","","7.61","","90","","90","","90","","440.7","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Thallium(I) chlorate(VII)","","- Cl O4 Tl -","- Cl O4 Tl -","- Cl4 O16 Tl4 -","4","0.0416667","","Herrmann, K; Ilge, W","Roentgenographische Strukturerforschung der kubischen Modifikation der Perchlorate.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","41","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010571","7.65","","7.65","","7.65","","90","","90","","90","","447.7","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Rubidium chlorate(VII)","","- Cl O4 Rb -","- Cl O4 Rb -","- Cl4 O16 Rb4 -","4","0.0416667","","Herrmann, K; Ilge, W","Roentgenographische Strukturerforschung der kubischen Modifikation der Perchlorate.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","41","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010572","7.96","","7.96","","7.96","","90","","90","","90","","504.4","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Caesium chlorate(VII)","","- Cl Cs O4 -","- Cl Cs O4 -","- Cl4 Cs4 O16 -","4","0.0416667","","Herrmann, K; Ilge, W","Roentgenographische Strukturerforschung der kubischen Modifikation der Perchlorate.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","41","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010573","7.25","","7.25","","7.25","","90","","90","","90","","381.1","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Sodium chlorate(VII)","","- Cl Na O4 -","- Cl Na O4 -","- Cl4 Na4 O16 -","4","0.0416667","","Herrmann, K; Ilge, W","Roentgenographische Strukturerforschung der kubischen Modifikation der Perchlorate.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","41","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010574","6.92","","6.92","","6.92","","90","","90","","90","","331.4","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Silver chlorate(VII)","","- Ag Cl O4 -","- Ag Cl O4 -","- Ag4 Cl4 O16 -","4","0.0416667","","Herrmann, K; Ilge, W","Roentgenographische Strukturerforschung der kubischen Modifikation der Perchlorate.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","41","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010575","6.017","0.001","6.017","0.001","17.3","0.1","90","","90","","120","","542.4","","","","","","","","","","","","","2","P 32 1 2","P 32 2 (0 0 2)","153","","Chromium chloride","","- Cl3 Cr -","- Cl3 Cr -","- Cl18 Cr6 -","6","1","","Wooster, N","The Structure of Chromium Trichloride Cr Cl~3~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","74","","363","374","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010576","7.42","","7.42","","6.97","","90","","90","","90","","383.7","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Potassium dihydrogenphosphate","","- H2 K O4 P -","- H0.5 K O P -","- H2 K4 O4 P4 -","4","0.25","","Hassel, O.","Über die Kristallstruktur des primären Kaliumphosphats KH~2~PO~4~ und isomorpher Salze","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1925","31","10","523","529","10.1002/bbpc.19250311006","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1010577","8.904","0.003","8.904","0.003","8.904","0.003","90","","90","","90","","705.9","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Ammonium hexafluoroaluminate","","- Al F6 H12 N3 -","- Al F6 H12 N3 -","- Al4 F24 H48 N12 -","4","0.0416667","","Menzer, G","Die Gitterkonstante des Ammoniumkryoliths.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","73","","113","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010578","6.572","0.001","6.572","0.001","6.572","0.001","90","","90","","90","","283.9","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Europium(II) telluride","","- Eu Te -","- Eu Te -","- Eu4 Te4 -","4","0.0208333","","Klemm, W; Senff, H","Messungen an zwei- und vierwertigen Verbindungen der Seltenen Erden. VIII. Chalkogenide des zweiwertigen Europiums","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","241","","259","268","10.1002/zaac.19392410212","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010579","3.34","","3.34","","5.785","","90","","90","","120","","55.9","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Vanadium(II) sulfide","","- S V -","- S V -","- S2 V2 -","2","0.0833333","","Biltz, W; Koecher, A","Beitraege zur systematischen Verwandtschaftslehre ueber das System Vanadium/Schwefel","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","241","","324","337","10.1002/zaac.19392410402","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010580","5.54","","5.54","","5.54","","90","","90","","90","","170","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Mercury fluoride","","- F2 Hg -","- F2 Hg -","- F8 Hg4 -","4","0.0208333","","Ebert, F; Woitinek, H","Kristallstrukturen von Fluoriden. II. Hg F, Hg F~2~, Cu F und Cu F~2~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1933","210","","269","272","10.1002/zaac.19332100307","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010581","5.84","0.006","5.84","0.006","5.84","0.006","90","","90","","90","","199.2","","","","","","","","","","","","","2","F 2 3","F 2 2 3","196","","Copper(I) selenide - $-alpha","","- Cu2 Se -","- Cu2.0004 Se -","- Cu8.0016 Se4 -","4","0.0833333","","Rahlfs, P","Ueber die kubischen Hochtemperaturmodifikationen der Sulfide und Telluride des Silbers und des einwertigen Kupfers","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1936","31","","157","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010582","5.42","0.01","5.42","0.01","5.42","0.01","56.83","0.01","56.83","0.01","56.83","0.01","104.3","","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","Titanium(III) oxide","","- O3 Ti2 -","- O3 Ti2 -","- O6 Ti4 -","2","0.166667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010583","5.31","0.02","5.31","0.02","5.31","0.02","55.6","0.1","55.6","0.1","55.6","0.1","95.1","","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","Gallium oxide","","- Ga2 O3 -","- Ga2 O3 -","- Ga4 O6 -","2","0.166667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010584","5.45","0.03","5.45","0.03","5.45","0.03","55.7","0.1","55.7","0.1","55.7","0.1","103","","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","Rhodium(III) oxide","","- O3 Rh2 -","- O3 Rh2 -","- O6 Rh4 -","2","0.166667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010585","9.79","0.03","9.79","0.03","9.79","0.03","90","","90","","90","","938.3","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Scandium oxide","","- O3 Sc2 -","- O3 Sc2 -","- O48 Sc32 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010586","9.41","0.01","9.41","0.01","9.41","0.01","90","","90","","90","","833.2","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Manganese(III) oxide","","- Mn2 O3 -","- Mn2 O3 -","- Mn32 O48 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010587","10.6","0.02","10.6","0.02","10.6","0.02","90","","90","","90","","1191","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Yttrium oxide","","- O3 Y2 -","- O3 Y2 -","- O48 Y32 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010588","10.12","0.03","10.12","0.03","10.12","0.03","90","","90","","90","","1036.4","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Indium oxide","","- In2 O3 -","- In2 O3 -","- In32 O48 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010589","10.85","0.02","10.85","0.02","10.85","0.02","90","","90","","90","","1277.3","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Samarium oxide","","- O3 Sm2 -","- O3 Sm2 -","- O48 Sm32 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010590","10.63","0.02","10.63","0.02","10.63","0.02","90","","90","","90","","1201.2","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Dysprosium oxide","","- Dy2 O3 -","- Dy2 O3 -","- Dy32 O48 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010591","10.58","0.02","10.58","0.02","10.58","0.02","90","","90","","90","","1184.3","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Holmium oxide","","- Ho2 O3 -","- Ho2 O3 -","- Ho32 O48 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010592","10.54","0.02","10.54","0.02","10.54","0.02","90","","90","","90","","1170.9","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Erbium oxide","","- Er2 O3 -","- Er2 O3 -","- Er32 O48 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010593","10.52","0.02","10.52","0.02","10.52","0.02","90","","90","","90","","1164.3","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Thulium oxide","","- O3 Tm2 -","- O3 Tm2 -","- O48 Tm32 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010594","10.39","0.02","10.39","0.02","10.39","0.02","90","","90","","90","","1121.6","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Ytterbium oxide","","- O3 Yb2 -","- O3 Yb2 -","- O48 Yb32 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010595","10.37","0.02","10.37","0.02","10.37","0.02","90","","90","","90","","1115.2","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Lutetium oxide","","- Lu2 O3 -","- Lu2 O3 -","- Lu32 O48 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010596","4.403","0.003","4.403","0.003","4.403","0.003","86","0.1","86","0.1","86","0.1","84.8","","","","","","","","","","","","","3","R 3 m :R","P 3* -2","160","","Potassium bromate","","- Br K O3 -","- Br K O3 -","- Br K O3 -","1","0.166667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010597","5.75","0.01","6.37","0.01","4.05","0.01","90","","90","","90","","148.3","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Sodium iodate","","- I Na O3 -","- I Na O3 -","- I2 Na2 O6 -","2","0.125","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010598","6.77","","6.77","","10.45","","90","","90","","120","","414.8","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Ammonium hexakis(thiocyanato)platinate","","- C6 H8 N8 Pt S6 -","- C H8 N3 Pt S6 -","- C H8 N3 Pt S6 -","1","0.0833333","","Hendricks, S B; Merwin, H E","The Atomic Arrangement in Crystals of the Alkali Platini-Thiocyanates","American Journal of Science, Serie 5(1,1921-1938)","1928","15","","487","494","","","","","","","","","","","","","","","","","","","","","","has coordinates","205563","2020-10-21","18:00:00",""
"1010599","6.73","","6.73","","10.26","","90","","90","","120","","402.4","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Potassium hexakis(thiocyanato)platinate","","- C6 K2 N6 Pt S6 -","- C K2 N Pt S6 -","- C K2 N Pt S6 -","1","0.0833333","","Hendricks, S B; Merwin, H E","The Atomic Arrangement in Crystals of the Alkali Platini-thiocyanates","American Journal of Science, Serie 5(1,1921-1938)","1928","15","","487","494","","","","","","","","","","","","","","","","","","","","","","has coordinates","205563","2020-10-21","18:00:00",""
"1010600","6.75","","6.75","","10.47","","90","","90","","120","","413.1","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Rubidium hexakis(thiocyanato)platinate","","- C6 N6 Pt Rb2 S6 -","- C N Pt Rb2 S6 -","- C N Pt Rb2 S6 -","1","0.0833333","","Hendricks, S B; Merwin, H E","The Atomic Arrangement in Crystals of the Alkali Platini-Thiocyanates","American Journal of Science, Serie 5(1,1921-1938)","1928","15","","487","494","","","","","","","","","","","","","","","","","","","","","","has coordinates","205563","2020-10-21","18:00:00",""
"1010601","7.89","","7.89","","7.89","","90","","90","","90","","491.2","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Hydrogenhydrazinium chloride","","- Cl2 H6 N2 -","- Cl2 H3 N2 -","- Cl8 H12 N8 -","4","0.166667","","Wyckoff, R W G","The Crystal Structure of Hydrazine Dihydrochloride","American Journal of Science, Serie 5(1,1921-1938)","1923","5","","15","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010602","2.51","","2.51","","6.69","","90","","90","","120","","36.5","","","","","","","","","","","","","2","P -6","P -6","174","","Boron nitride","","- B N -","- B N -","- B2 N2 -","2","0.333333","","Brager, A","An X-Ray Examination of the Structure of Boron Nitride","Acta Physicochimica (USSR)","1937","7","","699","706","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010603","10.88","","10.88","","10.88","","90","","90","","90","","1287.9","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Hexaamminecobalt(III) iodide","","- Co H18 I3 N6 -","- Co H18 I3 N6 -","- Co4 H72 I12 N24 -","4","0.0208333","","Wyckoff, R W G","The crystal structure of Hexamine-cobalti-iodide (Co (N H~3~)~6~) I~3~","American Journal of Science, Serie 5(1,1921-1938)","1927","13","","223","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010604","4.76","","4.76","","4.76","","90","","90","","90","","107.9","","","","","","","","","","","","","2","P n -3 :1","P 2 2 3 -1n","201","","Silver oxide","","- Ag2 O -","- Ag2 O -","- Ag4 O2 -","2","0.0833333","","Wyckoff, R W G","The Crystal Structure of Silver Oxide (Ag~2~ O)","American Journal of Science, Serie 5(1,1921-1938)","1922","3","","184","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010605","6","","6","","6","","90","","90","","90","","216","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Silver phosphate","","- Ag3 O4 P -","- Ag3 O P -","- Ag6 O2 P2 -","2","0.0833333","","Wyckoff, R W G","Crystal structure of silver phosphate and silver arsenate (Ag~3~ X O~4~)","American Journal of Science, Serie 5(1,1921-1938)","1925","10","","107","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010606","6.12","","6.12","","6.12","","90","","90","","90","","229.2","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Silver arsenate","","- Ag3 As O4 -","- Ag3 As O -","- Ag6 As2 O2 -","2","0.0833333","","Wyckoff, R W G","Crystal structure of silver phosphate and silver arsenate (Ag~3~ X O~4~)","American Journal of Science, Serie 5(1,1921-1938)","1925","10","","107","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010607","8.99","","8.99","","8.99","","90","","90","","90","","726.6","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Caesium hexafluorogermanate","","- Cs2 F6 Ge -","- Cs2 F6 Ge -","- Cs8 F24 Ge4 -","4","0.0208333","","Wyckoff, R W G","The crystal structure of cesium fluogermanate","American Journal of Science, Serie 5(1,1921-1938)","1927","13","","347","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010608","10.14","","10.14","","10.14","","90","","90","","90","","1042.6","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium hexachloroplumbate","","- Cl6 H8 N2 Pb -","- Cl6 H8 N2 Pb -","- Cl24 H32 N8 Pb4 -","4","0.0208333","","Wyckoff, R W G","The crystal structure of ammonium hexachloroplumbate ((N H~4~)~2~ Pb Cl~6~)","American Journal of Science, Serie 5(1,1921-1938)","1926","12","","503","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010609","11.06","","11.06","","11.06","","90","","90","","90","","1352.9","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Tetraarsenic oxide","Arsenolite","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Bozorth, R M","The crystal structures of the cubic forms of arsenious and antimonous oxide","Journal of the American Chemical Society","1923","45","","1621","1627","10.1021/ja01660a006","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010610","12.23","","12.23","","12.23","","90","","90","","90","","1829.3","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Tin(IV) iodide","","- I4 Sn -","- I4 Sn -","- I32 Sn8 -","8","0.333333","","Dickinson, R G","The crystal structure of tin tetraiodide","Journal of the American Chemical Society","1923","45","","958","962","10.1021/ja01657a014","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010611","8.834","","5.65","","7.24","","90","","90","","90","","361.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Potassium chlorate(VII)","","- Cl K O4 -","- Cl K O4 -","- Cl4 K4 O16 -","4","0.5","","Gottfried, C; Schusterius, C","Die Struktur von Kalium- und Ammoniumperchlorat","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","84","","65","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010612","9.202","0.006","5.815","0.004","7.449","0.005","90","","90","","90","","398.6","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium chlorate(VII)","","- Cl H4 N O4 -","- Cl H4 N O4 -","- Cl4 H16 N4 O16 -","4","0.5","","Gottfried, C; Schusterius, C","Die Struktur von Kalium- und Ammoniumperchlorat","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","84","","65","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010613","9.82","","9.82","","6.36","","90","","90","","120","","531.1","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Potassium dithionate","","- K2 O6 S2 -","- K2 O6 S2 -","- K6 O18 S6 -","3","0.5","","Helwig, G V","The structure of potassium dithionate K~2~ S~2~ O~6~ and the measurement of the integrated reflection from a small crystal","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","83","","485","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010614","8.02","0.2","8.02","0.2","10.75","0.14","90","","90","","90","","691.4","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Beryllium sulfate tetrahydrate","","- Be H8 O8 S -","- Be H8 O8 S -","- Be4 H32 O32 S4 -","4","0.125","","Schonefeld, P","Die Struktur des Berylliumsulfat-Tetrahydrates Be S O~4~ (H~2~ O)~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","78","","16","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010615","4.67","","6.85","","12.45","","90","","90","","90","","398.3","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","Mercury bromide","","- Br2 Hg -","- Br2 Hg -","- Br8 Hg4 -","4","0.5","","Verweel, H J; Bijvoet, J M","Die Kristallstruktur des Quecksilberbromides","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","77","","122","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010616","8.33","","8.14","","3.68","","90","","90","","90","","249.5","","","","","","","","","","","","","3","P m a n","-P 2ab 2","53","","Ammonium hydrogen fluoride","","- F2 H5 N -","- F2 H6.5 N -","- F8 H26 N4 -","4","0.5","","Pauling, L","The crystal structure of ammonium hydrogen fluoride N H~4~ H F~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","85","","380","391","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010617","6.585","","6.585","","6.585","","90","","90","","90","","285.5","","","","","","","","","","","","","3","P -4 n 2","P -4 -2n","118","","Zinc catena-antimonate","","- O6 Sb2 Zn -","- O3 Sb2 Zn -","- O6 Sb4 Zn2 -","2","0.25","","Clark, G. L.; Reynolds, D. A.","The crystal structure of zinc meta-antimonate Zn(Sb O~3~)~2~","Zeitschrift für Kristallographie - Crystalline Materials","1938","98","1-6","185","190","10.1524/zkri.1938.98.1.185","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1010618","7.28","0.05","7.48","0.05","3.82","0.05","90","","90","","90","","208","","","","","","","","","","","","","2","P -1","-P 1","2","","Tungsten trioxide","","- O3 W -","- O3 W -","- O12 W4 -","4","2","","Braekken, H","Die Kristallstrukturen der Trioxide von Chrom, Molybdaen und Wolfram","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","78","","484","489","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010619","4.71","","8.02","","9.48","","90","","90","","90","","358.1","","","","","","","","","","","","","2","P m n b S","","62","","Lead bromide","","- Br2 Pb -","- Br2 Pb -","- Br8 Pb4 -","4","","","Nieuwenkamp, W; Bijvoet, J M","Die Kristallstruktur von Bleibromid Pb Br~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","84","","49","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","277832","2022-09-14","15:07:16",""
"1010620","5.963","","12.735","","4.423","","90","","90","","90","","335.9","","","","","","","","","","","","","2","P m n b S","","62","","Mercury chloride","","- Cl2 Hg -","- Cl2 Hg -","- Cl8 Hg4 -","4","","","Nieuwenkamp, W; Bijvoet, J M","Die Kristallstruktur von Bleibromid Pb Br~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","84","","49","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","277832","2022-09-14","15:07:16",""
"1010621","6.3","","6.3","","6.3","","90","","90","","90","","250","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","Ammonium chlorate(III)","","- Cl H4 N O2 -","- Cl H8 N O -","- Cl2 H16 N2 O2 -","2","0.25","","Levi, G R; Scherillo, A","Ricerche cristallografiche sui sali dell acido cloroso","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","76","","431","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010622","7.498","","7.498","","20.676","","90","","90","","120","","1006.7","","","","","","","","","","","","","2","P 3","P 3","143","","Bismuth triiodide","","- Bi I3 -","- Bi I3 -","- Bi6 I18 -","6","2","","Braekken, H","Die Kristallstruktur der Trijodide von Arsen, Antimon und Wismut","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","74","","67","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010623","9.26","","9.26","","9.26","","90","","90","","90","","794","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Disilver molybdate","","- Ag2 Mo O4 -","- Ag2 Mo O4 -","- Ag16 Mo8 O32 -","8","0.0416667","","Wyckoff, R W G","The crystal structure of silver molybdate","Journal of the American Chemical Society","1922","44","","1994","1997","10.1021/ja01430a017","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010624","5.322","","5.322","","11.93","","90","","90","","90","","337.9","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Sodium iodate(VII)","","- I Na O4 -","- I Na O2 -","- I4 Na4 O8 -","4","0.25","","Kirkpatrick, L M; Dickinson, R G","The crystal structure of sodium periodate","Journal of the American Chemical Society","1927","48","","2327","2334","10.1021/ja01420a011","","","","","","","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:55",""
"1010625","6.66","","7.58","","6.635","","90","","90","","90","","335","","","","","","","","","","","","","4","P c m b","-P 2bc 2c","57","","Potassium thiocyanate","","- C K N S -","- C K N S -","- C4 K4 N4 S4 -","4","0.5","","Klug, H P","The crystal structure of potassium thiocyanate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","85","","214","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010626","10.96","","10.96","","10.96","","90","","90","","90","","1316.5","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Nickel nitrate hexaammonia","","- H18 N8 Ni O6 -","- H3 N8 Ni O6 -","- H12 N32 Ni4 O24 -","4","0.166667","","Wyckoff, R W G","The composition and crystal structure of nickel nitrate hexammoniate","Journal of the American Chemical Society","1922","44","","1260","1266","10.1021/ja01427a010","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010627","10.363","0.002","10.363","0.002","10.363","0.002","90","","90","","90","","1112.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium hexabromoselenate(IV)","","- Br6 K2 Se -","- Br6 K2 Se -","- Br24 K8 Se4 -","4","0.0208333","","Hoard, J L; Dickinson, B N","The crystal structure of potassium bromoselenite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","84","","436","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010628","8.43","","8.43","","6.35","","90","","90","","90","","451.3","","","","","","","","","","","","","5","P -4 21 c","P -4 2n","114","","Silver sulfate tetrammonia","","- Ag2 H12 N4 O4 S -","- Ag2 H12 N4 O4 S -","- Ag4 H24 N8 O8 S2 -","2","0.25","","Corey, R B; Wyckoff, R W G","The crystal structure of silver sulfate tetrammoniate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","87","","264","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010629","6.99","","6.99","","8.75","","90","","90","","90","","427.5","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Dipotassium dioxoosmium(VI) chloride","","- Cl4 K2 O2 Os -","- Cl4 K2 O2 Os -","- Cl8 K4 O4 Os2 -","2","0.0625","","Hoard, J L; Grenko, J D","The crystal structure of potassium osmyl chloride K~2~ Os O~2~ Cl~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","87","","100","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010631","9.694","","9.694","","9.694","","90","","90","","90","","911","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Copper silicide (15/4)","","- Cu15 Si4 -","- Cu15 Si4 -","- Cu60 Si16 -","4","0.0833333","","Morral, F R; Westgren, A","The crystal structure of a complex copper-silicon compound","Arkiv foer Kemi, Mineralogi och Geologi, B","1934","11","37","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010632","6.14","","8.58","","10.03","","90","","90","","90","","528.4","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","Ammonium chlorobromoiodate(I)","","- Br Cl H4 I N -","- Br Cl H4 I N -","- Br4 Cl4 H16 I4 N4 -","4","0.5","","Mooney, R C L","The crystal structure of Ammonium chlorobromoiodide","Bulletin of the American Physical Society (-30,1955)","1935","10","","30","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010633","23.28","","23.28","","23.28","","90","","90","","90","","12616.8","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Trihydrogen dodecatungstophosphate hydrate(29)","","- H61 O69 P W12 -","- H119 O69 P W12 -","- H952 O552 P8 W96 -","8","0.0416667","","Bradley, J A; Illingworth, J W","The crystal structure of (H~3~ P W~12~ O~40~) (H~2~ O)~29~","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1936","157","","113","131","10.1098/rspa.1936.0183","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010634","5.379","","5.379","","5.379","","90","","90","","90","","155.6","","","","","","","","","","","","","3","P -4 3 m","P -4 2 3","215","","Tricopper(I) tetrathiovanadate","","- Cu3 S4 V -","- Cu3 S4 V -","- Cu3 S4 V -","1","0.0416667","","Lundqvist, D; Westgren, A","The crystal structure of Cu V S~4~","Svensk Kemisk Tidskrift","1936","48","","241","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010635","3.28","","3.28","","21.55","","90","","90","","120","","200.8","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Pentaaluminium tricarbide nitride","","- C3 Al5 N -","- C3 Al5 N -","- C6 Al10 N2 -","2","0.166667","","Stackelberg, M von; Schnorrenberg, E; Paulus, R; Spiess, K F","Untersuchungen am Aluminiumcarbid Al~4~ C~3~ und Aluminiumcarbonitrid Al~5~ C~3~ N","Zeitschrift fuer Physikalische Chemie, Abteilung A: Chemische Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre","1935","175","","127","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010636","9.64","","9.64","","9.64","","90","","90","","90","","895.8","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Dipotassium hexachloroplatinate(IV)","","- Cl6 K2 Pt -","- Cl6 K2 Pt -","- Cl24 K8 Pt4 -","4","0.0208333","","Stoll, P","Raumgitter von Komplexsalzen","Diss. ETH Zuerich","1926","1","","1","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010637","10.02","","10.02","","10.02","","90","","90","","90","","1006","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Dirubidium hexabromopalladate(IV)","","- Br6 Pd Rb2 -","- Br6 Pd Rb2 -","- Br24 Pd4 Rb8 -","4","0.0208333","","Stoll, P","Raumgitter von Komplexsalzen","Diss. ETH Zuerich","1926","1","","1","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010638","10.15","","10.15","","10.15","","90","","90","","90","","1045.7","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Hexaamminenickel chloride","","- Cl2 H18 N6 Ni -","- Cl2 H18 N6 Ni -","- Cl8 H72 N24 Ni4 -","4","0.0208333","","Stoll, P","Raumgitter von Komplexsalzen","Diss. ETH Zuerich","1926","1","","1","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010639","9.87","","9.87","","9.87","","90","","90","","90","","961.5","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Hexaamminecobalt chloride","","- Cl2 Co H18 N6 -","- Cl2 Co H18 N6 -","- Cl8 Co4 H72 N24 -","4","0.0208333","","Stoll, P","Raumgitter von Komplexsalzen","Diss. ETH Zuerich","1926","1","","1","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010640","10.92","","10.92","","10.92","","90","","90","","90","","1302.2","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Heaamminecobalt iodide","","- Co H18 I2 N6 -","- Co H18 I2 N6 -","- Co4 H72 I8 N24 -","4","0.0208333","","Stoll, P","Raumgitter von Komplexsalzen","Diss. ETH Zuerich","1926","1","","1","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010641","10.92","","10.92","","10.92","","90","","90","","90","","1302.2","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","Hexaamminecobalt(III) iodide","","- Co H18 I3 N6 -","- Co H18 I3 N6 -","- Co4 H72 I12 N24 -","4","0.0833333","","Stoll, P","Raumgitter von Komplexsalzen","Diss. ETH Zuerich","1926","1","","1","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010642","4.68","","5.66","","4.92","","90","","89.67","","90","","130.3","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Magnesium tungstate","","- Mg O4 W -","- Mg O2 W -","- Mg2 O4 W2 -","2","0.5","","Broch, E K","Untersuchungen ueber Kristallstrukturen des Wloframittypus und des Scheelittypus","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1929","1929","","1","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010643","4.357","","4.357","","12.36","","90","","90","","90","","234.6","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","Mercury iodide","","- Hg I2 -","- Hg I2 -","- Hg2 I4 -","2","0.125","","Claassen, A F P J","De kristalstructuur van rood mercuri-iodide. Onderzoekingen over verstrooiende vermogens in het bijzonder van zuurstof","Thesis, Univ. Amsterdam","1926","1926","","1","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010644","5.59","","5.59","","5.59","","31.33","","31.33","","31.33","","41.9","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Iron(III) sodium oxide","","- Fe Na O2 -","- Fe Na O2 -","- Fe Na O2 -","1","0.0833333","","Goldsztaub, M S","Etude de quelques derives de l'oxyde ferrique (Fe O * O H, Fe O^2^ Na, Fe O Cl) determination de leurs structures.","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1935","58","","6","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010645","3.75","","7.65","","3.3","","90","","90","","90","","94.7","","","","","","","","","","","","","3","P m n m :1","P 2ac 2ac -1ac","59","","Iron(III) oxide chloride","","- Cl Fe O -","- Cl Fe O -","- Cl2 Fe2 O2 -","2","0.25","","Goldsztaub, M S","Etude de quelques derives de l'oxyde ferrique (Fe O.OH, FeO^2^Na, FeOCl) determination de leurs structures.","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1935","58","","6","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010647","9.37","0.02","9.37","","6.88","0.02","90","","90","","120","","523.1","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Pentacalcium fluoride tris(phosphate)","","- Ca5 F O12 P3 -","- Ca5 F O12 P3 -","- Ca10 F2 O24 P6 -","2","0.166667","","Bale, W F","A comparative Roentgen-ray diffraction study of several natural apatites and the apatite-like constituent of bone and tooth substance","American Journal of Roentgenology","1940","43","","735","747","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010648","9.17","0.03","9.17","","9.17","","90","","90","","90","","771.1","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium hexafluoroferrate","","- F6 Fe H12 N3 -","- F6 Fe H12 N3 -","- F24 Fe4 H48 N12 -","4","0.0208333","","Minder, W","Zur Kenntnis der Alkaliferrihexafluoride","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","15","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010649","4.29","0.01","10.42","0.03","3.64","0.01","90","","90","","90","","162.7","","","","","","","","","","","","","2","P n m a (c,a-1/4,b)","-P 2ac 2n (z,x,y+1/4)","62","","Germanium(II) sulfide","","- Ge S -","- Ge S -","- Ge4 S4 -","4","","","Zachariasen, W. H.","The crystal lattice of germano sulphide, Ge S","Physical Review (1,1893-132,1963/141,1966-188,1969)","1932","40","","917","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1010650","6.383","0.005","6.383","","6.383","","90","","90","","90","","260.1","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Disilver mercury iodide - $-alpha","","- Ag2 Hg I4 -","- Ag2 Hg I4 -","- Ag2 Hg I4 -","1","0.0104167","","Ketelaar, J A A","Die Kristallstruktur der Hochtemperaturmodifikationen von Ag~2~ Hg I~4~ und Cu~2~ Hg I~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","87","","436","445","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010651","6.103","0.005","6.103","","6.103","","90","","90","","90","","227.3","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Copper mercury iodide - $-alpha","","- Cu2 Hg I4 -","- Cu2 Hg I4 -","- Cu2 Hg I4 -","1","0.0104167","","Ketelaar, J A A","Die Kristallstruktur der Hochtemperaturmodifikationen von Ag~2~ Hg I~4~ und Cu~2~ Hg I~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","87","","436","445","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010652","4.82","","4.82","","4.82","","90","","90","","90","","112","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Disodium cerium(IV) oxide","","- Ce2.67 Na5.34 O8.01 -","- Ce2.64 Na5.36 O8 -","- Ce2.64 Na5.36 O8 -","1","0.00520833","","Zintl, E; Morawietz, W","Doppeloxyde mit Steinsalzstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1940","245","","26","31","10.1002/zaac.19402450106","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010653","4.84","","4.84","","4.84","","90","","90","","90","","113.4","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Disodium praseodymium(IV) oxide","","- Na5.34 O8.01 Pr2.67 -","- Na5.36 O8 Pr2.64 -","- Na5.36 O8 Pr2.64 -","1","0.00520833","","Zintl, E; Morawietz, W","Doppeloxyde mit Steinsalzstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1940","245","","26","31","10.1002/zaac.19402450106","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010654","4.446","0.0005","4.446","","4.446","","90","","90","","90","","87.9","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Tantalum carbide (1/1)","","- C Ta -","- C Ta -","- C4 Ta4 -","4","0.0208333","","Schwarz, M von; Summa, O","Die Kristallstruktur von Tantalkarbid","Metallwirtschaft, Metallwissenschaft, Metalltechnik","1933","12","","298","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1010655","6.368","0.003","6.368","","6.368","","90","","90","","90","","258.2","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Radium fluoride","","- F2 Ra -","- F2 Ra -","- F8 Ra4 -","4","0.0208333","","Schulze, G E R","Die Kristallstruktur von Radiumfluorid","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1936","32","","430","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010656","5.494","","5.494","","5.494","","90","","90","","90","","165.8","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Uranium sulfide (4/3)","","- S3 U4 -","- S3 U4 -","- S3 U4 -","1","0.0208333","","Zumbusch, M","Ueber die Strukturen des Uransubsulfids und der Subphosphide des Iridiums und Rhodiums","Zeitschrift fuer Anorganische und Allgemeine Chemie","1940","243","","322","329","10.1002/zaac.19402430403","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010657","19.05","","7.05","","5.35","","90","","90","","90","","718.5","","","","","","","","","","","","from Kola","5","","","","","Sodium titanium strontium silicate","Lamprophyllite","- Na2 O8 Si2 Sr Ti -","","","4","","","Gossner, B; Drexler, K","Ueber Kristallform und chemische Zusammensetzung von Lamprophyllit","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","91","","494","500","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010658","27.86","","27.86","","27.86","","90","","90","","90","","21624.4","","","","","","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","Heptasodium bis(phosphate) fluoride 19-hydrate","","- F H38 Na7 O27 P2 -","","","40","0.208333","","Neumann, E W","Roentgenographische Untersuchung an Natriumfluorophosphat","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","86","","298","300","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010659","23.1","","23.1","","23.1","","90","","90","","90","","12326.4","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Dodecamolybdophosphoric acid hydrate","","- H63 Mo12 O70 P -","","","8","0.0416667","","Hoard, J L","An X-Ray investigation of the 12-molybdophosphates and related compounds","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","84","","217","230","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1010660","23.1","","23.1","","23.1","","90","","90","","90","","12326.4","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Samarium dodecamolybdophosphate hydrate","","- H60 Mo12 O70 P Sm -","","","8","0.0416667","","Hoard, J L","An X-Ray investigation of the 12-molybdophosphates and related compounds","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","84","","217","230","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1010661","23.1","","23.1","","23.1","","90","","90","","90","","12326.4","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Gadolinium dodecamolybdophosphate hydrate","","- Gd H60 Mo12 O70 P -","","","8","0.0416667","","Hoard, J L","An X-Ray investigation of the 12-molybdophosphates and related compounds","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","84","","217","230","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010662","23.04","0.03","23.04","","23.04","","90","","90","","90","","12230.6","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Magnesium dodecamolybdosilicate hydrate","","- H62 Mg2 Mo12 O71 Si -","","","8","0.0416667","","Hoard, J L","An X-Ray investigation of the 12-molybdophosphates and related compounds","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","84","","217","230","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1010663","23","","23","","23","","90","","90","","90","","12167","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Dinickel dodecamolybdosilicate hydrate","","- H62 Mo12 Ni2 O71 Si -","","","8","0.0416667","","Hoard, J L","An X-Ray investigation of the 12-molybdophosphates and related compounds","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","84","","217","230","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1010664","23.3","","23.3","","23.3","","90","","90","","90","","12649.3","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Diberyllium dodecatungstosilicate hydrate","","- Be2 H62 O71 Si W12 -","","","8","0.0416667","","Hoard, J L","An X-Ray investigation of the 12-molybdophosphates and related compounds","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","84","","217","230","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010665","18.05","","8.1","","6.95","","90","","90","","90","","1016.1","","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","Carbonatotetraamminecobalt(III) chlorate(VII)","","- Cl Co H12 N4 O7 -","","","4","1","","Strock, L W","Crystallography and X-Ray study of carbonato tetrammine cobalti perchlorate Co C O~3~ (N H~3~)~4~ Cl O~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","86","","270","279","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010666","11.8","","10.6","","7.42","","90","","98.65","","90","","917.5","","","","","","","","","","","","","5","P 1 m 1","P -2y","6","","Carbonatotetraamminecobalt(III) sulfate trihydrate","","- Co2 H30 N8 O13 S -","","","2","1","","Strock, L W","The crystallography and space group of carbanato tetrammine cobalti sulfate, (Co C O~3~ (N H~3~)~4~)~2~ S O~4~ (H~2~ O)~3~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","86","","42","52","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010667","12.83","","12.83","","18.38","","90","","90","","90","","3025.5","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","Tungstoboric acid *","","- B2 H132 O141 W24 -","","","1","0.0625","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","91","","402","409","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010668","12.8","","12.8","","18.4","","90","","90","","90","","3014.7","","","","","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","Ammonium dodecatungstoborate 66-hydrate","","- B H72 N5 O66 W12 -","","","2","0.125","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","91","","402","409","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010669","12.98","","12.98","","18.52","","90","","90","","90","","3120.3","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","Dodecatungstosilicic acid 24-hydrate","","- H52 O64 Si W12 -","","","2","0.125","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","91","","402","409","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010670","8","","10.58","","6.29","","90","","90","","90","","532.4","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","Diamminesilver nitrate","","- Ag H6 N3 O3 -","","","4","1","","Corey, R B; Pestrecov, K","The space group of silver nitrate diammoniate Ag N O~3~ (N H~3~)~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","89","","528","528","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010671","15.56","","15.56","","41.35","","90","","90","","120","","8670.1","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Tetraaluminium dodecatunstosilicate 87-hydrate","","- Al4 H174 O207 Si3 W36 -","","","1","0.0277778","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","93","","379","395","10.1524/zkri.1936.93.1.379","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010672","15.6","","15.6","","41.36","","90","","90","","120","","8716.9","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Iron hydrogen dodecatungstosilicate 28-hydrate","","- Fe H57 O68 Si W12 -","","","6","0.166667","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","93","","379","395","10.1524/zkri.1936.93.1.379","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010673","15.6","","15.6","","39.8","","90","","90","","120","","8388.1","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Iron hydrogen dodecatungstosilicate 24-hydrate","","- Fe H49 O64 Si W12 -","","","2","0.0555556","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","93","","379","395","10.1524/zkri.1936.93.1.379","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010674","23.1","","23.1","","23.1","","90","","90","","90","","12326.4","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Iron hydrogen dodecatungstosilicate 30-hydrate","","- Fe H61 O70 Si W12 -","","","8","0.0416667","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","93","","379","395","10.1524/zkri.1936.93.1.379","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010675","15.58","","15.58","","41.32","","90","","90","","120","","8686.1","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Chromium hydrogen dodecatungstosilicate 28-hydrate","","- Cr H57 O68 Si W12 -","","","6","0.166667","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","93","","379","395","10.1524/zkri.1936.93.1.379","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010676","15.6","","15.6","","39.6","","90","","90","","120","","8345.9","","","","","","","","","","","","","5","","","","","Chromium hydrogen dodecatungstosilicate 24-hydrate","","- Cr H49 O64 Si W12 -","","","6","","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","93","","379","395","10.1524/zkri.1936.93.1.379","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010677","","","","","","","","","","","","","","","","","","","","","","","","","from Unterrupsroth, Rhoen","4","","","","","Aluminium closo-20-oxotetrahydroxooctasilicate","Montmorillonite","- Al4 H4 O24 Si8 -","","","","","","Nagelschmidt, G","On the lattice shrinkage and structure of montmorillonite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","93","","481","487","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010678","8.82","","8.82","","8.82","","96.33","","96.33","","96.33","","672.6","","","","","","","","","","","","","4","R 3 :R","P 3*","146","","Magnesium sulfate(IV) hexahydrate","","- H12 Mg O9 S -","","","1","0.333333","","Klasens, H A; Perdok, W G; Terpstra, P","Crystallography of magnesium-sulphite, cobalt-sulphite and nickel- sulphite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","1","6","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1010679","8.822","","8.822","","8.822","","96.37","","96.37","","96.37","","672.8","","","","","","","","","","","","","4","R 3 :R","P 3*","146","","Cobalt sulfate(IV) hexahydrate","","- Co H12 O9 S -","","","1","0.333333","","Klasens, H A; Perdok, W G; Terpstra, P","Crystallography of magnesium-sulphite, cobalt-sulphite and nickel- sulphite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","1","6","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010680","8.773","","8.773","","8.773","","96.3","","96.3","","96.3","","662","","","","","","","","","","","","","4","R 3 :R","P 3*","146","","Nickel sulfate(IV) hexahydrate","","- H12 Ni O9 S -","","","1","0.333333","","Klasens, H A; Perdok, W G; Terpstra, P","Crystallography of magnesium-sulphite, cobalt-sulphite and nickel- sulphite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","1","6","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1010681","16.3","","16.3","","16.3","","59.1","","59.1","","59.1","","2999.5","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","Thorium dodecatungstosilicate 27-hydrate","","- H54 O67 Si Th W12 -","","","2","0.166667","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","256","279","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1010682","16.35","","16.35","","16.35","","59.5","","59.5","","59.5","","3055.4","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","Thorium dodecatungstosilicate 30-hydrate","","- H60 O70 Si Th W12 -","","","2","0.166667","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","256","279","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1010683","16.28","","16.28","","16.28","","56.53","","56.53","","56.53","","2806.4","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","Calcium dodecatungstosilicate 26-hydrate","","- Ca2 H52 O66 Si W12 -","","","2","0.166667","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","256","279","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010684","16.21","","16.21","","16.21","","56.87","","56.87","","56.87","","2794.3","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","Barium dodecatungstosilicate 24-hydrate","","- Ba2 H48 O64 Si W12 -","","","2","0.166667","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","256","279","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010685","16.39","","16.39","","16.39","","56.9","","56.9","","56.9","","2890.7","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","Zinc dodecatungstosilicate 27-hydrate","","- H54 O67 Si W12 Zn2 -","","","2","0.166667","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","256","279","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1010686","16.46","","16.46","","16.46","","56.17","","56.17","","56.17","","2873.8","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","Copper dodecatungstosilicate 27-hydrate","","- Cu2 H54 O67 Si W12 -","","","2","0.166667","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","256","279","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010687","16.35","","16.35","","16.35","","56.57","","56.57","","56.57","","2845.6","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","Lithium dodecatungstosilicate 26-hydrate","","- H53 Li3 O66 Si W12 -","","","2","0.166667","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","256","279","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1010688","15.8","","15.8","","15.8","","58.6","","58.6","","58.6","","2699.8","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","Lithium dodecatungstosilicate 24-hydrate","","- H49 Li3 O64 Si W12 -","","","2","0.166667","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","256","279","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1010689","19","","19","","12.58","","90","","90","","120","","3933","","","","","","","","","","","","","5","P 32","P 32","145","","Potassium dodecatungstoslilicate 18-hydrate","","- H36 K4 O58 Si W12 -","","","3","1","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","256","279","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010690","19","","19","","12.5","","90","","90","","120","","3907.9","","","","","","","","","","","","","5","","","","","Pentapotassium dodecatungstoborate 18-hydrate","","- B H36 K5 O58 W12 -","","","1","","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","256","279","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010691","23.3","","23.3","","23.3","","90","","90","","90","","12649.3","","","","","","","","","","","","","4","","","","","Dodecatungstophosphoric acid 29-hydrate","","- H61 O69 P W12 -","","","8","","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","256","279","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010692","16","","16","","16","","58.58","","58.58","","58.58","","2802.3","","","","","","","","","","","","","4","R -3 m :R","-P 3* 2","166","","Dodecatungstphosphoric acid 24-hydrate","","- H51 O64 P W12 -","","","2","0.166667","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","256","279","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1010693","5.584","0.005","5.584","","22.45","0.02","90","","90","","120","","606.2","","","","","","","","","","","","","3","","","","","Sodium undecaaluminium oxide","","- Al11 Na O17 -","","","2","","","Beevers, C. A.; Brohult, S.","The formula of ""β Alumina"", Na~2~O, (Al~2~O~3~)~11~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","1-6","472","474","10.1524/zkri.1936.95.1.472","","","","","","","","","","","","","","","","","","","","","","200082","2020-10-21","18:00:00",""
"1010694","5.584","0.005","5.584","0.005","22.67","0.02","90","","90","","120","","612.2","","","","","","","","","","","","","3","","","","","Potassium undecaaluminium oxide","","- Al11 K O17 -","","","2","","","Beevers, C. A.; Brohult, S.","The formula of ""β Alumina"", Na~2~O, (Al~2~O~3~)~11~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","1-6","472","474","10.1524/zkri.1936.95.1.472","","","","","","","","","","","","","","","","","","","","","","200082","2020-10-21","18:00:00",""
"1010695","11.45","","13.34","","6.88","","92.58","","106.3","","88.43","","1007.5","","","","","","","","","","","","","3","","","","","Barium tetrachlorocadmate","","- Ba Cd Cl4 -","","","1","","","Brasseur, H; de Rassenfosse, A","Sur la structure du groupe Cd Cl~4~^2-^","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","474","475","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010697","8.446","0.007","8.446","","8.446","","90","","90","","90","","602.5","","","","","","","","","","","","","3","","","","","Rubidium hexafluorosilicate","","- F6 Rb2 Si -","","","1","","","Ketelaar, J. A. A.","Die Kristallstruktur von K-, Rb-, Cs- und Tl-Silicofluorid und von Li Mn O~4~ (H~2~O)~3~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","155","156","10.1524/zkri.1935.92.1.155","","","","","","","","","","","","","","","","","","","","","","189057","2020-10-21","18:00:00",""
"1010698","8.867","0.007","8.867","","8.867","","90","","90","","90","","697.2","","","","","","","","","","","","","3","","","","","Caesium hexafluorosilicate","","- Cs2 F6 Si -","","","1","","","Ketelaar, J. A. A.","Die Kristallstruktur von K-, Rb-, Cs- und Tl-Silicofluorid und von Li Mn O~4~ (H~2~ O)~3~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","155","156","10.1524/zkri.1935.92.1.155","","","","","","","","","","","","","","","","","","","","","","189057","2020-10-21","18:00:00",""
"1010699","8.563","0.007","8.563","","8.563","","90","","90","","90","","627.9","","","","","","","","","","","","","3","","","","","Thallium hexafluorosilicate","","- F6 Si Tl2 -","","","1","","","Ketelaar, J A A","Die Kristallstruktur von K-, Rb-, Cs- und Tl-Silicofluorid und von Li Mn O~4~ (H~2~ O)~3~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","155","156","10.1524/zkri.1935.92.1.155","","","","","","","","","","","","","","","","","","","","","","189057","2020-10-21","18:00:00",""
"1010700","7.78","0.01","7.78","","5.39","0.01","90","","90","","120","","282.5","","","","","","","","","","","","","4","","","","","Lithium manganate(VII) trihydrate","","- H6 Li Mn O7 -","","","1","","","Ketelaar, J. A. A.","Die Kristallstruktur von K-, Rb-, Cs- und Tl-Silicofluorid und von Li Mn O~4~ (H~2~ O)~3~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","155","156","10.1524/zkri.1935.92.1.155","","","","","","","","","","","","","","","","","","","","","","189057","2020-10-21","18:00:00",""
"1010701","8.88","","10.26","","9.98","","90","","90","","90","","909.3","","","","","","","","","","","","","4","","","","","Iron(III) arsenate hydrate","Scorodite","- As Fe H4 O6 -","","","8","","","Strunz, H.","Isotypie zwischen Skorodit und Norbergit Fe[AsO~4~|(H~2~O)~2~] und Mg~3~[SiO~4~|(OH,F)~2~]","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","513","514","10.1524/zkri.1938.99.1.513","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010702","3.585","","3.585","","16.4","","90","","90","","120","","182.5","","","","","","","","","","","","","4","","","","","Cadmium chloride hydroxide (1/.8/1.2)","","- Cd Cl0.75 H1.25 O1.25 -","","","3","","","Feitknecht, W.; Gerber, W.","Die Struktur der basischen Cadmiumchloride","Zeitschrift für Kristallographie - Crystalline Materials","1938","98","1-6","168","179","10.1524/zkri.1938.98.1.168","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010703","6.66","","8.95","","7.56","","90","","121","","90","","386.3","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Calcium magnesium fluoride arsenate","Tilasite","- As Ca F Mg O4 -","","","4","0.5","","Strunz, H","Titanit und Tilasit. Ueber die Verwandtschaft der Silikate mit den Phosphaten und Arsenaten","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","7","14","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010704","19.11","","22.5","","23.92","","87.92","","105.62","","92.42","","9893","","","","","","","","","","","","","5","P -1","-P 1","2","","Iron hydrogen dodecatungstosilicate 20-hydrate","","- Fe H41 O60 Si W12 -","","","8","4","","Kraus, O","Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","330","335","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010705","","","","","","","","","","","","","","","","","","","","","","","","","","5","","","","","Potassium chromium sulfate hydrate","","- Cr H24 K O20 S2 -","","","","","","Saur, E","Ueber die Gitterkonstante von Alaunen mit schwerem und leichtem Kristallwasser","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","97","","523","525","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010706","","","","","","","","","","","","","","","","","","","","","","","","","","5","","","","","Potassium chromium sulfate deuterate","","- Cr D24 K O20 S2 -","","","","","","Saur, E","Ueber die Gitterkonstante von Alaunen mit schwerem und leichtem Kristallwasser","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","97","","523","525","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010707","","","","","","","","","","","","","","","","","","","","","","","","","","5","","","","","Potassium aluminium sulfate dodecahydrate","","- Al H24 K O20 S2 -","","","","","","Saur, E","Ueber die Gitterkonstante von Alaunen mit schwerem und leichtem Kristallwasser","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","523","525","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010708","","","","","","","","","","","","","","","","","","","","","","","","","","5","","","","","Potassium aluminium sulfate dodecakis(dideuteriohydrate)","","- Al D24 K O20 S2 -","","","","","","Saur, E","Ueber die Gitterkonstante von Alaunen mit schwerem und leichtem Kristallwasser","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","523","525","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010709","5.481","","5.481","","5.481","","90","","90","","90","","164.7","","","","","","","","","","","","","3","","","","","20-Calcium triyttrium fluoride","Yttrofluorite","- Ca20 F69 Y3 -","","","4","","","Chatterjee, N","Struktur-Untersuchungen von natuerlichem und kuenstlichem Yttrofluorit mit Hilfe der Fluoroszens- und Absorptionsspektren","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1940","102","","245","284","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010710","20.47","","19.38","","22.4","","95.6","","94.72","","90.94","","8811.2","","","","","","","","","","","","","4","P -1","-P 1","2","","Dodecatungstosilicic acid hydrate","","- H32 O54 Si W12 -","","","8","4","","Kraus, O","Kristallographische und roentgenographische Untersuchungen an einer neuen Hydratgruppe der 12-Heteropolysaeuren","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","100","","394","413","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010711","20.4","","19.27","","22.37","","96.17","","93.72","","90.98","","8721.9","","","","","","","","","","","","","4","P -1","-P 1","2","","Dodecatungstoboric acid hydrate","","- B H33 O54 W12 -","","","8","4","","Kraus, O","Kristallographische und roentgenographische Untersuchungen an einer neuen Hydratgruppe der 12-Heteropolysaeuren","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","100","","394","413","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010712","20.21","","19.25","","22.5","","95.2","","96.63","","92.7","","8644.5","","","","","","","","","","","","","4","P -1","-P 1","2","","Dodecamolybdosilicic acid hydrate","","- H32 Mo12 O54 Si -","","","8","4","","Kraus, O","Kristallographische und roentgenographische Untersuchungen an einer neuen Hydratgruppe der 12-Heteropolysaeuren","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","100","","394","413","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010713","20.48","","19.32","","22.48","","95.62","","95.15","","90.27","","8815.4","","","","","","","","","","","","","4","P -1","-P 1","2","","Dodecatungstophosphoric acid hydrate","","- H31 O54 P W12 -","","","8","4","","Kraus, O","Kristallographische und roentgenographische Untersuchungen an einer neuen Hydratgruppe der 12-Heteropolysaeuren","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","100","","394","413","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010714","20.12","","19.25","","22.55","","95.28","","96.62","","92.88","","8622.4","","","","","","","","","","","","","4","P -1","-P 1","2","","Dodecamolybdophosphoric acid hydrate","","- H31 Mo12 O54 P -","","","8","4","","Kraus, O","Kristallographische und roentgenographische Untersuchungen an einer neuen Hydratgruppe der 12-Heteropolysaeuren","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","100","","394","413","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010715","8.85","","13.22","","5.87","","90","","90","","90","","686.8","","","","","","","","","","","","","5","","","","","Calcium tecto-octaoxodialumodisilicate dihydrate","Lawsonite","- Al2 Ca H4 O10 Si2 -","","","","","","Strunz, H","Ueber Kristallographie und chemische Zusammensetzung von Lawsonit und Lievrit","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","504","506","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010716","8.82","","13.07","","5.86","","90","","90","","90","","675.5","","","","","","","","","","","","","5","","","","","Calcium diiron iron(III) silicate","Ilvaite","- Ca Fe4 H O9 Si2 -","","","","","","Strunz, H","Ueber Kristallographie und chemische Zusammensetzung von Lawsonit und Lievrit","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","504","506","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010717","9.36","","9.36","","6.88","","90","","90","","120","","522","","","","","","","","","","","","","5","","","","","Nonacalcium cadmium hexakis(phsophate) fluoride","","- Ca9 Cd F2 O24 P6 -","","","","","","Klement, R; Zureda, F","Basische Phosphate zweiwertiger Metalle V. Phosphate und Hydroxylapatit des Cadmiums","Zeitschrift fuer Anorganische und Allgemeine Chemie","1940","245","","229","235","10.1002/zaac.19402450301","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010718","23.1","0.03","23.1","","23.1","","90","","90","","90","","12326.4","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Neodymium dodecamolybdophosphate 30-hydrate","","- H60 Mo12 Nd O70 P -","","","8","0.0416667","","Hoard, J L","An X-Ray investigation of the 12-molybdophosphates and related compounds","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","84","","217","230","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1010719","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Nickel carbide (1/1)","","- C Ni -","","","","","","Schmidt, J","Die Nichtexistenz eines hoeheren Nickelcarbids","Zeitschrift fuer Anorganische und Allgemeine Chemie","1933","216","","85","98","10.1002/zaac.19332160113","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010720","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Rhenium arsenide (1/2)","","- As2 Re -","","","","","","Wiechmann, F; Heimburg, M; Biltz, W","Ueber die Verwandtschaft von Rhenium zu Arsen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","240","","129","138","10.1002/zaac.19392400203","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010721","","","","","","","","","","","","","","","","","","","","","","","","","","4","","","","","Potassium dioxotetrahydridodiborate","","- B2 H4 K2 O2 -","","","","","","Schwarz von Bergkampf, E","Roentgenuntersuchung des Diborankaliums und seiner Hydrolysenprodukte, besonders des Dioxy-Diborankaliums","Zeitschrift fuer Anorganische und Allgemeine Chemie","1935","225","","254","257","10.1002/zaac.19352250308","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010722","","","","","","","","","","","","","","","","","","","","","","","","","","3","","","","","Potassium hexahydridodiborate(II)","","- B2 H6 K2 -","","","","","","Schwarz von Bergkampf, E","Roentgenuntersuchung des Diborankaliums und seiner Hydrolyseprodukte, besonders des Dioxy-Diborankaliums","Zeitschrift fuer Anorganische und Allgemeine Chemie","1935","225","","254","257","10.1002/zaac.19352250308","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010723","","","","","","","","","","","","","","","","","","","","","","","","","","4","","","","","Aluminium oxide sulfate(IV) hydrate *","","- Al2 H2 O8 S2 -","","","","","","Rosenkranz, E; Huettig, G F","Notiz ueber ein kristallisiertes basisches Aluminiumsulfit Al~2~ O~3~ (S O~2~)~2~ H~2~ O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1936","226","","126","131","10.1002/zaac.19362260203","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010724","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tungsten phosphide (2/1)","","- P W2 -","","","","","","Hartmann, H; Orban, J","Elektrolyse in Phosphatschmelzen.II. Ueber ein neues Wolframphosphid W~4~ P","Zeitschrift fuer Anorganische und Allgemeine Chemie","1936","226","","257","264","10.1002/zaac.19362260304","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010725","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tungsten phosphide (4/1)","","- P W4 -","","","","","","Hartmann, H; Orban, J","Elektrolyse in Phosphatschmelzen.II. Ueber ein neues Wolframphosphid W~4~ P","Zeitschrift fuer Anorganische und Allgemeine Chemie","1936","226","","257","264","10.1002/zaac.19362260304","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010726","5.17","","5.17","","8.12","","90","","90","","90","","217","","","","","","","","","","","","","2","","","","","Iron titanium (3:1)","","- Fe3 Ti -","","","4","","","Jellinghaus, W","Die Kristallstruktur der Verbindung Fe~3~ Ti","Zeitschrift fuer Anorganische und Allgemeine Chemie","1936","227","","62","64","10.1002/zaac.19362270109","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010727","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Titanium sulfide (1/3)","","- S3 Ti -","","","","","","Biltz, W; Ehrlich, P; Meisel, K","Ueber die Sulfide des Titans","Zeitschrift fuer Anorganische und Allgemeine Chemie","1937","234","","96","116","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010728","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Iron aluminium (1/3)","","- Al3 Fe -","","","","","","Bachmetew, E","Roentgenographische Bestimmung der Fe Al~3~ -Struktur","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","179","181","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010729","","","","","","","","","","","","","","","","","","","","","","","","","","3","","","","","Sodium hexafluoronitrate(III)","","- F6 N Na3 -","","","","","","Beck, G","Ueber Fluoronitrite und Fluoronitrate","Zeitschrift fuer Anorganische und Allgemeine Chemie","1937","235","","77","82","10.1002/zaac.19372350109","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010730","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Manganese phosphide (1/3)","","- Mn P3 -","","","","","","Biltz, W; Wiechmann, F","Tensionsanalyse der hoeheren Manganphosphide","Zeitschrift fuer Anorganische und Allgemeine Chemie","1937","234","","117","129","10.1002/zaac.19372340203","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010731","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Indium fluoride","","- F3 In -","","","","","","Hannebohn, O; Klemm, W","Fluoride von Gallium, Indium und Thallium","Zeitschrift fuer Anorganische und Allgemeine Chemie","1936","229","","337","351","10.1002/zaac.19362290402","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010732","","","","","","","","","","","","","","","","","","","","","","","","","","4","","","","","Trisilver hydrogen tetrairon(III) oxide","","- Ag3 Fe4 H O8 -","","","","","","Krause, A; Ernst, Z; Gawrych, S; Kocay, W","Roentgenstruktur und katalytische Eigenschaften der Silberferrite","Zeitschrift fuer Anorganische und Allgemeine Chemie","1936","228","","352","356","10.1002/zaac.19362280405","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010733","7.823","","7.823","","4.319","","90","","90","","90","","264.3","","","","","","","","","","","","","4","","","","","Zinc tetrakis(thiocyanato)mercurate","","- Hg N4 S4 Zn -","","","","","","Straumanis, M; Ence, E","Ueber das System Zn Hg (C N S)~4~ - Cu Hg (C N S)~4~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1936","228","","334","340","10.1002/zaac.19362280403","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010734","","","","","","","","","","","","","","","","","","","","","","","","","","4","","","","","Dimercury amide chloride","","- Cl H2 Hg2 N -","","","","","","Gleditsch, E; Egidius, T F","Mercurosalze und deren Amidoverbindunqen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1936","226","","265","272","10.1002/zaac.19362260305","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010735","5.45","","5.45","","5.45","","90","","90","","90","","161.9","","","","","","","","","","","","","3","","","","","Strontium imide","","- H N Sr -","","","","","","Hartmann, H; Froehlich, H J; Ebert, F","Ueber ein neues Pernitrid des Strontiums und Calciums und ueber die Imide der Erdalkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","1934","218","","181","189","10.1002/zaac.19342180209","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010736","5.84","","5.84","","5.84","","90","","90","","90","","199.2","","","","","","","","","","","","","3","","","","","Barium imide","","- Ba H N -","","","","","","Hartmann, H; Froehlich, H J; Ebert, F","Ueber ein neues Pernitrid des Strontiums und Calciums und ueber die Imide der Erdalkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","1934","218","","181","189","10.1002/zaac.19342180209","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010737","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Ruthenium phosphide (2/1)","","- P Ru2 -","","","","","","Biltz, W; Ehrhorn, H J; Meisel, K","Ueber die Systeme Osmium/Phosohor und Ruthenium/Phosphor","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","240","","117","128","10.1002/zaac.19392400202","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010738","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Ruthenium phosphide","","- P Ru -","","","","","","Biltz, W; Ehrhorn, H J; Meisel, K","Ueber die Systeme Osmium/Phosphor und Ruthenium/Phosphor","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","240","","117","128","10.1002/zaac.19392400202","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010739","10.19","","10.19","","7.7","","90","","90","","120","","692.4","","","","","","","","","","","","","4","","","","","Pentabarium tris(phsophate) hydroxide","","- Ba5 H O13 P3 -","","","","","","Klement, R; Dihn, P","Basische Phosphate zweiwertiger Metalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","240","","31","39","10.1002/zaac.19382400105","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010740","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Calcium cyanide","","- Ca N2 -","","","","","","Petersen, G; Franck, H H","Beitraege zur Kenntnis des Calciumcyanides, insbesondere zur Umwandlung Calciumcyanid Calciumcyanamid","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","237","","1","37","10.1002/zaac.19382370102","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010741","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Cobalt phosphide (1/1)","","- Co P -","","","","","","Biltz, W; Heimbrecht, M","Ueber die Phosphide des Kobalts","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","241","","349","360","10.1002/zaac.19392410404","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010742","3.13","0.01","3.13","","24.7","0.1","90","","90","","120","","209.6","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Cobalt bromide hydroxide (4.8/.8/8.8)","","- Br0.75 Co4.75 H8.75 O8.75 -","","","1","0.0833333","","Feitknecht, W; Lotmar, W","Die Struktur des gruenen basischen Kobaltbromids","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","91","","136","141","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010743","4.111","0.005","4.111","","4.111","","90","","90","","90","","69.5","","","","","","","","","","","","from the Temiskaming Mine, Cobalt, Ontario","2","","","","","Silver antimony","Dyscrasite","- Ag Sb -","","","","","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010744","22.69","0.03","8.29","0.02","7.86","0.01","90","","96.75","0.5","90","","1468.2","","","","","","","","","","","","from Binnenthal, Switzerland","3","P 1 21/m 1","-P 2yb","11","","Trilead hexaarsenic sulfide","Dufrenoysite","- As4 Pb3 S9 -","","","4","1","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010745","5.551","0.005","5.551","","5.551","","90","","90","","90","","171","","","","","","","","","","","","from Hackensboda, Vastmanland, Sweden","5","","","","","Cobalt iron nickel arsenic sulfide *","Cobaltite","- As Co Fe Ni S -","","","","","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010746","5.574","0.005","5.574","","5.574","","90","","90","","90","","173.2","","","","","","","","","","","","from Tunaberg, Soedermannland, Sweden","5","","","","","Cobalt iron nickel arsenic sulfide *","Cobaltite","- As Co Fe Ni S -","","","","","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010747","5.577","0.005","5.577","","5.577","","90","","90","","90","","173.5","","","","","","","","","","","","from Columbus Claim, Cobalt, Ontario","5","","","","","Cobalt iron nickel arsenic sulfide *","Cobaltite","- As Co Fe Ni S -","","","","","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010748","","","","","","","","","","","","","","","","","","","","","","","","","from the Red Mountain, Colorado","2","","","","","Lead sulfide","Galena","- Pb S -","","","","","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010749","5.593","0.005","5.593","","5.593","","90","","90","","90","","175","","","","","","","","","","","","from Sudbury, Ontario","5","","","","","Nickel cobalt iron arsenic sulfide *","Gersdorffite","- As Co Fe Ni S -","","","","","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010750","5.645","0.005","5.645","","5.645","","90","","90","","90","","179.9","","","","","","","","","","","","from Garson Mine, Sudbury","5","","","","","Nickel cobalt iron arsenic sulfide *","Gersdorffite","- As Co Fe Ni S -","","","","","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010751","5.655","0.005","5.655","","5.655","","90","","90","","90","","180.8","","","","","","","","","","","","from Crean Hill, Sudbury","5","","","","","Nickel cobalt iron arsenic sulfide *","Gersdorffite","- As Co Fe Ni S -","","","","","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010752","","","","","","","","","","","","","","","","","","","","","","","","","from Guanajuato, Mexico","3","","","","","Bismuth selenide sulfide (2/1.5/1.5)","Guanajuatite","- Bi2 S1.5 Se1.5 -","","","","","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010753","15.68","0.05","19.01","0.05","4.03","0.01","90","","94.8","0.5","90","","1197","","","","","","","","","","","","from Cornwall, England","4","P 1 21/a 1","-P 2yab","14","","Tetralead iron hexaantimony sulfide","Jamesonite","- Fe Pb4 S14 Sb6 -","","","2","0.5","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010754","8.89","0.03","31.65","0.03","8.4","0.02","90","","118.35","0.5","90","","2080","","","","","","","","","","","","from Binnenthal, Switzerland","3","P 1 21/m 1","-P 2yb","11","","Lead arsenic sulfide (27/14/48)","Dufrenoysite","- As14 Pb27 S48 -","","","1","0.25","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010755","5.915","0.005","5.915","","5.915","","90","","90","","90","","206.9","","","","","","","","","","","","from Obersdorf, near Siegen, Germany","4","","","","","Nickel antimony bismuth sulfide *","Ullmannite","- Bi Ni S Sb -","","","","","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010756","","","","","","","","","","","","","","","","","","","","","","","","","from Easton, Pennsylvania","3","","","","","Iron(III) oxide trihydrate","Limonite","- Fe4 H6 O9 -","","","","","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010757","6.844","0.001","6.844","","21.83","0.05","90","","90","","90","","1022.5","","","","","","","","","","","","from Eisleben, Thuringia, Germany","2","P 41 21 2","P 4abw 2nw","92","","Nickel arsenide (11/8)","Maucherite","- As8 Ni11 -","","","4","0.5","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010758","","","","","","","","","","","","","","","","","","","","","","","","","from Bottino, Tuscany","3","","","","","Lead antimony sulfide (23/7/23)","Meneghinite","- Pb23 S23 Sb7 -","","","","","","Peacock, M A; Berry, L G","","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010759","5.74","0.01","5.81","0.01","11.405","0.03","90","","90","","90","","380.3","","","","","","","","","","","","from Moose Horn Mine, Elk Lake, Ontario","2","P b m a","-P 2a 2ab","57","","Nickel arsenide (1/2)","Maucherite","- As2 Ni -","","","8","1","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010760","5.41","0.005","5.41","","5.41","","90","","90","","90","","158.3","","","","","","","","","","","","from Brosso, Piedmont, Italy","2","","","","","Iron sulfide (1/2)","Pyrite","- Fe S2 -","","","","","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010761","3.53","0.01","4.78","0.01","5.78","0.01","90","","90","","90","","97.5","","","","","","","","","","","","from Eisleben, Thurinqia, Germany","2","P m n n","-P 2n 2","58","","Nickel arsenide (1/2)","Rammelsbergite","- As2 Ni -","","","2","0.25","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010762","25","0.03","7.91","0.03","8.42","0.03","90","","99","0.5","90","","1644.6","","","","","","","","","","","","from Binnenthal, Switzerland","3","P 1 21/n 1","-P 2yn","14","","Lead arsenic sulfide (13/18/40)","Rathite","- As18 Pb13 S40 -","","","1","0.25","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010763","19.48","0.02","4.15","0.05","7.86","0.03","90","","90","","90","","635.4","","","","","","","","","","","","from Binnenthal, Switzerland","3","P 21 21 21","P 2ac 2ab","19","","Lead diarsenic sulfide","Sartorite","- As2 Pb S4 -","","","4","1","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010764","8.18","0.01","8.18","","8.18","","90","","90","","90","","547.3","","","","","","","","","","","","from the Temiskaming Mine, Cobalt, Ontario","5","I m -3","-I 2 2 3","204","","Cobalt nickel iron arsenic sulfide *","Skutterudite","- As22.8 Co9.1 Fe9.1 Ni9.1 S22.8 -","","","1","0.0208333","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010765","7.7","0.05","12.32","0.05","8.48","0.05","90","","90","","90","","804.4","","","","","","","","","","","","from Ste.Coix aux Mines, Alsace","3","C m c 21","C 2c -2","36","","Pentasilver antimony sulfide","Stephanite","- Ag5 S4 Sb -","","","4","0.5","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010766","10.14","0.03","10.14","","10.14","","24.19","","24.19","","24.19","","153.9","","","","","","","","","","","","from Hunter group Claims, Khutze Inlet near Swanson Bay, British Columbia","2","R -3 m :R","-P 3* 2","166","","Bismuth telluride","Tellurbismuth","- Bi2 Te3 -","","","1","0.0833333","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1010767","","","","","","","","","","","","","","","","","","","","","","","","","from Schubkau, Schemnitz, Hunqury","3","","","","","Bismuth ditelluride sulfide","Tetradymite","- Bi2 S Te2 -","","","","","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010768","5.899","0.005","5.899","","5.899","","90","","90","","90","","205.3","","","","","","","","","","","","from Salchendorf, near Siegen, Germany","3","","","","","Nickel antimony sulfide (1/1/1)","Ullmannite","- Ni S Sb -","","","","","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010769","5.905","0.005","5.905","","5.905","","90","","90","","90","","205.9","","","","","","","","","","","","from Montenarba, Sardinia","3","","","","","Nickel antimony sulfide (1/1/1)","Ullmannite","- Ni S Sb -","","","","","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010770","18.03","0.03","4.04","0.02","17.53","0.03","90","","94.48","0.5","90","","1273","","","","","","","","","","","","from Falun, Sweden","4","P 1 2/m 1","-P 2y","10","","Lead bismuth selenidesulfide (2/4/3/3)","Weibullite","- Bi4 Pb2 S5 Se3 -","","","","","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010771","5.918","0.005","5.918","","5.918","","90","","90","","90","","207.3","","","","","","","","","","","","from Broken Hill, New South Wales, Australia","4","","","","","Cobalt nickel antimony sulfide *","Willyamite","- Co Ni S Sb -","","","","","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010772","19.05","0.03","23.82","0.03","4.047","0.01","90","","90","","90","","1836.4","","","","","","","","","","","","from McElroy Township, Timiskaming district, Ontario","4","P b n m","-P 2c 2ab","62","","Lead copper bismuth sulfide *","Cosalite","- Bi2 Cu2 Pb2 S5 -","","","8","1","","Berry, L G","Studies of mineral sulpho-salts: 1- Cosalite from Canada and Sweden","University of Toronto Studies, Geological Series","1939","42","","23","31","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010773","14.4","","16.89","","14.75","","90","","90","","90","","3587.4","","","","","","","","","","","","from the Uranium Mine, Shinkolob e, Katanga, Belgisch Kongo","3","","","","","Tetrauranium(VI) oxide nonahydrate","Schoepite","- H18 O21 U4 -","","","","","","Billiet, V; De Jong, W F","Schoepiet en Becquereliet","Nachrichten der Akademie der Wissenschaften, Goettingen, Mathematisch- Physikalisch-Chemische Abteilung","1935","1935","","157","162","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010774","","","","","","","","","","","","","","","","","","","","","","","","","","6","","","","","Calcium phosphothiosilicate fluoride *","","- Ca10 F2 O24 P2 S2 Si2 -","","","","","","Klement, R","Isomorpher Ersatz des Phosphors in Apatiten durch Silicium und Schwefel","Naturwissenschaften","1939","27","","57","58","10.1007/BF01488937","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010775","12.18","","12.18","","18.82","","90","","90","","90","","2792","","","","","","","","","","","","","5","","","","","Iron hydrogen silicate tungstate hydrate *","","- Fe5 H105 O136 Si2 W24 -","","","1","","","Kraus, O","Die Basizitaet der Heteropolysaeuren- ein Strukturproblem","Naturwissenschaften","1939","27","","740","740","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010776","","","","","","","","","","","","","","","","","","","","","","","","","","3","","","","","Fluorotrichloromethane","","- C Cl3 F -","","","","","","Wouters, J; De Hemptinne, M","Interatomic distances of F C Cl~3~ and F C Br~3~","Nature (London)","1938","141","","412","413","","","","","","","","","","","","","","","","","","","","","","","114540","2020-10-21","18:00:00",""
"1010777","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Fluorotribromomethane","","- Br3 F -","","","","","","Wouters, J; De Hemptinne, M","Interatomic distances of F C Cl~3~ and F C Br~3~","Nature (London)","1938","141","","412","413","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010778","7.303","0.025","7.303","","7.303","","90","","90","","90","","389.5","","","","","","","","","","","","","7","P -4 3 m","P -4 2 3","215","","Sodium potassium lithium aluminium beryllium borate *","Rhodizite","- Al4 B10 Be2 K2 Li4 Na2 O27 -","","","","","","Strunz, H","Gitterkonstante und Raumgruppe von Rhodizit und Jeremejewit","Naturwissenschaften","1938","26","","217","217","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010779","8.47","0.02","8.47","","8.09","0.02","90","","90","","120","","502.6","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Aluminium borate","Jeremejewite","- Al B O3 -","","","1","0.0833333","","Strunz, H","Gitterkonstante und Raumgruppe von Rhodizit und Jeremejewit","Naturwissenschaften","1938","26","","217","217","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010780","23.281","0.002","23.281","","23.281","","90","","90","","90","","12618.4","","","","","","","","","","","","","4","","","","","Dodecatungstophosphoric acid 30-hydrate","","- H63 O70 P W12 -","","","8","","","Keggin, J F","Structure of the crystals of 12-phosphotungstic acid","Nature (London)","1933","132","","351","351","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010781","10.71","","10.71","","10.71","","90","","90","","90","","1228.5","","","","","","","","","","","","","6","F -4 3 m","F -4 2 3","216","","Hexaamminecobalt iodide sulfate","","- Co H18 I N6 O4 S -","- Co H18 I N6 O4 S -","- Co4 H72 I4 N24 O16 S4 -","4","0.0416667","","Hassel, O","Weitere Beobachtungen ueber Isomorphie bei kubischen Kristallen von Hexammine- und Pentammin-Aquokomplexsalzen","Norsk Geologisk Tidsskrift","1928","10","","92","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010782","","","","","","","","","","","","","","","","","","","","","","","","","","3","","","","","Hexamminecobalt(III) hexacyanocobaltate","","- Co2 H18 N12 -","","","","","","Hassel, O","Ueber die Existenz einer streng strukturtheoretisch nicht erlaubten Isomorphie hoehersymmetrischer Kristalle von Hexammin Pentamminaquo- und Tetrammindiaquo-Komplexen","Norsk Geologisk Tidsskrift","1928","10","","32","38","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010783","","","","","","","","","","","","","","","","","","","","","","","","","","4","","","","","Pentammineaquacobalt(III) hexacyanocobaltate","","- Co2 H17 N11 O -","","","","","","Hassel, O","Ueber die Existenz einer streng strukturtheoretisch nicht erlaubten Isomorphie hoehersymmetrischer Kristalle von Hexammin Pentamminaquo- und Tetrammindiaquo-Komplexen","Norsk Geologisk Tidsskrift","1928","10","","32","38","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010784","","","","","","","","","","","","","","","","","","","","","","","","","","5","","","","","Tetraamminediaquacobalt(III) hexacyanocobaltate","","- C6 H16 Co2 N10 O2 -","","","","","","Hassel, O","Ueber die Existenz einer strenq strukturtheoretisch nicht erlaubten Isomorphie hoehersymmetrischer Kristalle von Hexammin Pentamminaquo- und Tetrammindiaquo-Komplexen","Norsk Geologisk Tidsskrift","1928","10","","32","38","","","","","","","","","","","","","","","","","","","","","","","278154","2022-09-26","15:27:19",""
"1010785","10.2","","10.2","","10.2","","90","","90","","90","","1061.2","","","","","","","","","","","","","3","","","","","Sodium iron hexacyanoferrate","","- Fe2 N6 Na -","","","","","","Keggin, J F; Miles, F D","Structures and formulae of the prussian blues and related compounds","Nature (London)","1936","137","","577","578","10.1038/137577a0","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010786","5.1","","5.1","","5.1","","90","","90","","90","","132.7","","","","","","","","","","","","","3","","","","","Disodium iron hexacyanoferrate(II)","","- Fe2 N6 Na2 -","","","","","","Keggin, J F; Miles, F D","Structures and formulae of the prussian blues and related compounds","Nature (London)","1936","137","","577","578","10.1038/137577a0","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010787","","","","","","","","","","","","","","","","","","","","","","","","","","3","","","","","Trichlorosilane","","- Cl3 H Si -","","","","","","Wouters, J","Proefondervindelijk onerzoek der moleculestructur von silicochloroform en siliciumbromotrichloride","Wis-en Natuurkundig Tijdschrift","1937","8","","231","250","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010788","2.34","","2.34","","2.34","","91.5","","91.5","","91.5","","12.8","","","","","","","","","","","","","2","","","","","Manganese chloride","Scacchite","- Cl2 Mn -","","","1","","","Bruni, G; Ferrari, A","Sulla struttura cristallina di alcuni cloruri bivalenti","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1926","4","","10","13","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010789","10.03","","10.03","","10.03","","90","","90","","90","","1009","","","","","","","","","","","","","4","","","","","Decalead phosphate dichloride","Pyromorphite","- Cl2 O24 P6 Pb10 -","","","","","","Zambonini, F; Ferrari, A","Ricerche sul fosfato e sul chlorofosfato di piombo (piromorfite).","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1928","7","","283","291","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010790","12.48","","7.55","","7.34","","90","","78.18","","90","","676.9","","","","","","","","","","","","from Cogne, Val d'Aosta, Italy","3","P 1 2/m 1","-P 2y","10","","Magnesium carbonate pentahydrate","Lansfordite","- H10 Mg O8 -","","","1","0.25","","Fenoglio, M; Millosevich, F","Ricerche sui carbonati naturali neutri e basici di magnesio idrati.","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1936","24","","219","222","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010791","5.141","","5.141","","5.141","","90","","90","","90","","135.9","","","","","","","","","","","","","2","","","","","Neodymium nitride","","- N Nd -","","","","","","Iandelli, A; Botti, E","Sulla struttura cristallina dei composti delle terre rare con i metalloidi del V gruppo. - Composti del Neodimio.","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1937","25","","638","640","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010792","5.826","","5.826","","5.826","","90","","90","","90","","197.7","","","","","","","","","","","","","2","","","","","Neodymium phosphide","","- Nd P -","","","","","","Iandelli, A; Botti, E","Sulla struttura cristallina dei composti delle terre rare con i metalloidi del V gruppo. - Composti del Neodimio.","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1937","25","","638","640","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010793","6.309","","6.309","","6.309","","90","","90","","90","","251.1","","","","","","","","","","","","","2","","","","","Neodymium antimonide","","- Nd Sb -","","","","","","Iandelli, A; Botti, E","Sulla struttura cristallina dei composti delle terre rare con i metalloidi del V gruppo. - Composti del Neodimio.","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1937","25","","638","640","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010794","5.958","","5.958","","5.958","","90","","90","","90","","211.5","","","","","","","","","","","","","2","","","","","Neodymium arsenide","","- As Nd -","","","","","","Iandelli, A; Botti, E","Sulla struttura cristallina dei composti delle terre rare con i metalloidi del V gruppo. - Composti del Neodimio.","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1937","25","","638","640","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010795","5.275","","5.275","","5.275","","90","","90","","90","","146.8","","","","","","","","","","","","","2","","","","","Lanthanum nitride","","- La N -","","","","","","Iandelli, A; Botti, E","Sulla struttura cristallina dei composti delle terre rare con i metalloidi del V gruppo. - Azoturi di Lantanio, Cerio e Praesodimio.","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1937","25","","129","132","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010796","5.011","","5.011","","5.011","","90","","90","","90","","125.8","","","","","","","","","","","","","2","","","","","Cerium nitride","","- Ce N -","","","","","","Iandelli, A; Botti, E","Sulla struttura cristallina dei composti delle terre rare con i metalloidi del V gruppo. - Azoturi di Lantanio, Cerio e Praseodimio.","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1937","25","","129","132","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010797","5.155","","5.155","","5.155","","90","","90","","90","","137","","","","","","","","","","","","","2","","","","","Praseodymium nitride","","- N Pr -","","","","","","Iandelli, A; Botti, E","Sulla struttura cristallina dei composti delle terre rare con i metalloidi del V gruppo. - Azoturi di Lantanio, Cerio e Praseodimio.","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1937","25","","129","132","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010798","11.95","","13.82","","6.71","","90","","103.63","","90","","1076.9","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Barium tetracyanopalladate(II) tetrahydrate","","- C4 H8 Ba N4 O4 Pd -","- C4 H8 Ba N4 O4 Pd -","- C16 H32 Ba4 N16 O16 Pd4 -","4","0.5","","de Rassenfosse, A; Pierard, J","Etude cristallographique du palladocyanure de baryum. Ba Pd (C N)~4~ (H~2~ O)~4~.","Bulletin de la Societe Royal des Sciences de Liege","1935","4","","74","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010799","10.555","","15.42","","7.131","","90","","94.82","","90","","1156.5","","","","","","","","","","","","","5","","","","","Strontium tetracyanoplatinate(II) pentahydrate","","- H10 N4 O5 Pt Sr -","","","4","","","Brasseur, H; de Rassenfosse, A","Etude cristallographique du platinocyanure de strontium Sr Pt (C N)~4~ (H~2~ O)~5~","Bulletin de la Societe Royal des Sciences de Liege","1936","5","","123","129","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010800","17.08","","18.98","","6.64","","90","","90","","90","","2152.5","","","","","","","","","","","","","5","","","","","Calcium tetracyanoplatinate(II) pentahydrate","","- Ca H10 N4 O5 Pt -","","","8","","","Brasseur, H; de Rassenfosse, A","Etude cristallopraphique du platinocyanure de calcium hydrate.","Bulletin de la Societe Royal des Sciences de Liege","1935","4","","24","33","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010801","11.13","","11.27","","3.97","","90","","90","","90","","498","","","","","","","","","","","","from Tazna, Bolivia, Collection of the Museum of Paris","2","","","","","Bismuth sulfide","Bismuthinite","- Bi2 S3 -","","","","","","Garrido, J; Feo, R","Sur les sulfotellurures de bismuth","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1938","61","","196","204","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010802","","","","","","","","","","","","","","","","","","","","","","","","","from Ronghten Gill, Cumberland, Collection of the Museum national d*Histoire naturelle de Paris","3","","","","","Bismuth telluride sulfide (4/1/3)","Gruenlingite","- Bi4 S3 Te -","","","","","","Garrido, J; Feo, R","Sur les sulfotellurures de bismuth","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1938","61","","196","204","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010803","10","","14.25","","8.62","","90","","54.33","","90","","997.9","","","","","","","","","","","","from the Collection of the Museum national d*Histoire naturelle de Paris","6","P 1 21 1","P 2yb","4","","Potassium calcium alumosilicate hydrate *","Phillipsite","- Al3 Ca H12 K O22 Si5 -","","","2","1","","Wyart, J; Chatelain, P","Etude cristallographique de la christianite","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1938","61","","121","126","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010804","5.78","","12.58","","5.48","","90","","108.5","","90","","377.9","","","","","","","","","","","","from Chuquicamata, Chile","5","P 1 21/c 1","-P 2ybc","14","","Copper sulfate sodium sulfate dihydrate","Kroehnkite","- Cu H4 Na2 O10 S2 -","","","2","0.5","","Palache, C","Kroehnkite and Natrochalcite from Chile.","American Journal of Science (1939-)","1939","237","","447","455","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010805","8.74","","6.15","","6.53","","90","","118.7","","90","","307.9","","","","","","","","","","","","from Chuquicamata, Chile","5","","","","","Disodium tetracopper tetrakis(sulfate) dihydrate","Natrochalcite","- Cu4 H6 Na2 O20 S4 -","","","1","","","Palache, C","Kroehnkite and Natrochalcite from Chile.","American Journal of Science (1939-)","1939","237","","447","455","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010806","10","","14.25","","8.62","","90","","54.2","","90","","996.3","","","","","","","","","","","","from Richmond, Australia","6","","","","","Potassium calcium alumosilicate hydrate *","Phillipsite","- Al3 Ca H12 K O22 Si5 -","","","2","","","Wyart, J; Chatelain, P","Etude cristallographique de la Christianite","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1938","61","","121","126","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010807","20.2","","14.9","","5.3","","90","","90","","90","","1595.2","","","","","","","","","","","","from Ampandandrava, Madagascar","4","","","","","Magnesium silicate hydrate *","Sepiolite","- H2 Mg2.58 O11.58 Si4 -","","","","","","Longchambon, H","Sur certaines caracteristiques de la Sepiolite d'Ampandandrava. Discussion sur la formule des Sepiolites","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1937","60","","232","276","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010808","7.9","","10.5","","6.25","","90","","90","","90","","518.4","","","","","","","","","","","","","3","","","","","Dipotassium tetraoxotellurate","","- K2 O4 Te -","","","","","","Patry, M","Sur les tellurates de potassium. Analogie avec les sulfates et les seleniates.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1936","202","","1516","1519","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010809","2.95","","11.5","","4.1","","90","","90","","90","","139.1","","","","","","","","","","","","","2","P n n a","-P 2a 2bc","52","","Manganese(III) boride","","- B Mn -","","","8","1","","Hocart, R; Fallot, M","Structure et proprietes magnetiques du borure de manganese Mn B.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1936","203","","1062","1064","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010810","7.82","0.02","6.46","0.03","16.04","0.08","90","","90","","90","","810.3","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Cadmium azide","","- Cd N6 -","","","8","1","","Bassiere, M","Sur la structure de l'azoture de cadmium.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1937","204","","1573","1574","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010811","4.28","","14.43","","9.68","","90","","108.38","0.02","90","","567.3","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Potassium copper bromide","","- Br3 Cu K -","","","4","1","","Silberstein, A","Etude cristallographique du bromure double de cuivre et de potassium.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1939","209","","540","542","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010812","10.37","","10.37","","10.37","","90","","90","","90","","1115.2","","","","","","","","","","","","","5","","","","","Dithallium cadmium hexanitroniccolate","","- Cd N6 Ni O12 Tl2 -","","","","","","Ferrari, A; Collo, C","Nichelnitriti misti di metalli monovalenti e bivalenti - Nota II","Gazzetta Chimica Italiana","1935","65","","809","818","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010813","10.28","","10.28","","10.28","","90","","90","","90","","1086.4","","","","","","","","","","","","","5","","","","","Dipotassium cadmium hexanitroniccolate","","- Cd K2 N6 Ni O12 -","","","","","","Ferrari, A; Colla, C","Nichelnitriti misti di metalli monovalenti e bivalenti - Nota II","Gazzetta Chimica Italiana","1935","65","","809","818","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010814","10.81","","10.81","","10.81","","90","","90","","90","","1263.2","","","","","","","","","","","","","5","","","","","Dicaesium cadmium hexanitroniccolate","","- Cd Cs2 N6 Ni O12 -","","","","","","Ferrari, A; Colla, C","Nichelnitriti misti di metalli monovalenti e bivalenti - Nota II","Gazzetta Chimica Italiana","1935","65","","809","818","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010815","10.43","","10.43","","10.43","","90","","90","","90","","1134.6","","","","","","","","","","","","","5","","","","","Dipotassium barium hexanitroferrate(II)","","- Ba Fe K2 N6 O12 -","","","","","","Cambi, L; Ferrari, A","Nitriti complessi di ferro, cobalto, nichelio e rame: struttura e suscettibilita magnetica","Gazzetta Chimica Italiana","1935","65","","1162","1190","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010816","11.19","","11.19","","11.19","","90","","90","","90","","1401.2","","","","","","","","","","","","","4","","","","","Caesium hexanitrobismuthate(III)","","- Bi Cs3 N6 O12 -","","","","","","Ferrari, A; Ciccioli, Z","Ricerche sugli esabismutonitriti","Gazzetta Chimica Italiana","1936","66","","581","590","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010817","5.12","","5.12","","15.77","","90","","90","","120","","358","","","","","","","","","","","","","4","","","","","Beryllium carbonate tetrahydrate","","- C H8 Be O7 -","","","","","","Venturello, G","Carbonato neutro e carbonati basici di berillio","Gazzetta Chimica Italiana","1939","69","","73","86","","","","","","","","","","","","","","","","","","","","","","","278155","2022-09-26","15:27:20",""
"1010818","10.14","","10.14","","10.14","","90","","90","","90","","1042.6","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Dicopper manganese cyanide","","- Cu2 Mn N6 -","","","4","0.0208333","","Rollier, M A; Cesoni, G","La struttura dei sali di rame di alcuni complessi cianici. - Nota II. La struttura del sale di rame del manganese-esacianuro.","Gazzetta Chimica Italiana","1939","69","","674","679","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010819","9.91","0.05","9.91","0.05","9.91","0.05","90","","90","","90","","973.2","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Copper hexacyanocobaltate","","- Co2 Cu3 N12 -","","","2","0.0104167","","Rollier, M A; Arreghini, E","La struttura dei sali di rame di alcuni complessi cianici. - Nota I. Struttura dei sali di rame degli esacianuri del cobalto e del cromo.","Gazzetta Chimica Italiana","1939","69","","499","508","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010820","10.22","","10.22","","10.22","","90","","90","","90","","1067.5","","","","","","","","","","","","","3","","","","","Copper hexacyanochromate(II)","","- Cr Cu2 N6 -","","","4","","","Rollier, M A","La struttura dei sali di rame di alcuni complessi cianici. - Nota I. Struttura dei sali di rame degli esacianuri del cobalto e del cromo.","Gazzetta Chimica Italiana","1939","69","","499","508","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010821","7.64","","7.64","","7.64","","90","","90","","90","","445.9","","","","","","","","","","","","","5","","","","","Calcium aluminium titanium zirconium oxide (0.34/2/0.6/0.18/5)","Uhligite","- Al2 Ca0.34 O5 Ti0.6 Zr0.18 -","","","4","","","Zedlitz, O","Untersuchungen an Perowskit, Uhligit und Dysanalyt","Fortschritte der Mineralogie","1936","20","","66","68","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010822","12.11","0.01","12.11","0.01","12.11","0.01","90","","90","","90","","1776","","","","","","","","","","","","","4","","","","","Dodecatungstosilicic acid","","- H4 O40 Si W12 -","","","","","","Signer, R; Gross, H","Ueber den Bau einiqer Heteropolysaeuren","Helvetica Chimica Acta","1934","17","","1076","1080","10.1002/hlca.193401701135","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010823","12.11","0.01","12.11","0.01","12.11","0.01","90","","90","","90","","1776","","","","","","","","","","","","","4","","","","","Dodecatungstoboric acid","","- B H5 O40 W12 -","","","","","","Signer, R; Gross, H","Ueber den Bau einiger Heteropolysaeuren","Helvetica Chimica Acta","1934","17","","1076","1080","10.1002/hlca.193401701135","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010824","12.13","0.03","12.13","0.03","12.13","0.03","90","","90","","90","","1784.8","","","","","","","","","","","","","3","","","","","Dodecatungstic acid","","- H8 O40 W12 -","","","","","","Signer, R; Gross, H","Ueber den Bau einiger Heteropolysaeuren","Helvetica Chimica Acta","1934","17","","1076","1080","10.1002/hlca.193401701135","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010825","3.15","","3.15","","24.4","","90","","90","","120","","209.7","","","","","","","","","","","","","4","","","","","Pentacobalt nonahydroxide chloride tetrahydrate","","- Cl Co5 H17 O13 -","","","1","","","Feitknecht, W; Fischer, G","Zur Chemie und Morphologie der basischen Salze zweiwertiger Metalle. III. Ueber basische Kobaltchloride.","Helvetica Chimica Acta","1935","18","","555","569","10.1002/hlca.19350180175","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010826","7.6","","16.11","","27.9","","90","","90","","90","","3416","","","","","","","","","","","","from Langban, Sweden","5","","","","","Triberyllium calcium dimanganese silicate","Trimerite","- Be3 Ca Mn2 O12 Si3 -","","","48","","","Aminoff, G","Zur Kristallographie des Trimerits. Ein Beitrag zur Kenntnis der Pseudosymmetrie.","Geologiska Foereningens i Stockholm Foerhandlingar","1926","48","","19","43","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010827","4.92","","5.54","","11.78","","90","","90","","90","","321.1","","","","","","","","","","","","from the Varutraesk Pegmatite","6","","","","","Calcium sodium bis(tantalate) hemihydroxide hemifluoride","Stibiomicrolite","- Ca F0.5 H0.5 Na O6.5 Ta2 -","","","1","","","Rosen, O; Westgren, A","Minerals of the Varutraesk Pegmatite. XII. On the Structure and the Composition of Minerals belonging to the Pyrochlore-Atopite Group and an X-Ray Analysis of disintegrated Stibio-Microlite.","Geologiska Foereningens i Stockholm Foerhandlingar","1938","60","","226","235","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010828","10.42","","10.42","","10.42","","90","","90","","90","","1131.4","","","","","","","","","","","","","5","","","","","Lead hexanitrocobaltate dodecahydrate","","- Co2 H24 N12 O36 Pb3 -","","","1","","","Ferrari, A; Leandro, C","Cobaltinitriti dei metalli bivalenti.","Gazzetta Chimica Italiana","1939","69","","3","10","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010829","10.57","","10.57","","10.57","","90","","90","","90","","1180.9","","","","","","","","","","","","","5","","","","","Barium hexanitrocobaltate dodecahydrate","","- Ba3 Co2 H24 N12 O36 -","","","1","","","Ferrari, A; Coghi, L","Cobaltinitriti dei metalli bivalenti.","Gazzetta Chimica Italiana","1939","69","","3","10","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010830","11.8","","11.8","","11.8","","90","","90","","90","","1643","","","","","","","","","","","","","5","","","","","Triammonium dodecamolybdoarsenate tetrahydrate","","- As H20 Mo12 N3 O44 -","","","2","","","Ferrari, A; Nanni, O","Ricerche sui sali degli eteropoliacidi. - I. Struttura dei fosfo- e degli arsenidodecamolibdati e dei fosfo- e degli arsenidodecawolframati di ammonio, di potassio e di tallio.","Gazzetta Chimica Italiana","1939","69","","301","314","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010831","10.41","","10.41","","10.41","","90","","90","","90","","1128.1","","","","","","","","","","","","","5","","","","","Dirubidium silver hexanitrocobaltate","","- Ag Co N6 O12 Rb2 -","","","1","","","Ferrari, A; Coghi, L; Piovosi, N","Cobaltinitriti misti.","Gazzetta Chimica Italiana","1940","70","","812","822","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010832","10.33","","10.33","","10.33","","90","","90","","90","","1102.3","","","","","","","","","","","","","5","","","","","Diammonium silver hexanitrocobaltate","","- Ag Co H8 N8 O12 -","","","1","","","Ferrari, A; Coghi, L; Piovosi, N","Cobaltinitriti misti.","Gazzetta Chimica Italiana","1940","70","","812","822","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010833","10.39","","10.39","","10.39","","90","","90","","90","","1121.6","","","","","","","","","","","","","5","","","","","Dithallium silver hexanitrocobaltate","","- Ag Co N6 O12 Tl2 -","","","1","","","Ferrari, A; Coghi, L; Piovosi, N","Cobaltinitriti misti.","Gazzetta Chimica Italiana","1940","70","","812","822","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010834","4.666","","4.666","","7.401","","90","","90","","120","","139.5","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Magnesium bismuth (3/2)","","- Bi2 Mg3 -","","","1","0.0833333","","Zintl, E; Huseman, E","Bindungsart und Gitterbau binaerer Magnesiumverbindungen. (12. Mitteilung ueber Metalle und Legierungen.)","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1933","21","","138","155","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010835","5.35","0.03","5.35","0.03","11.92","0.03","90","","90","","90","","341.2","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Silver rhenate","","- Ag O4 Re -","","","4","0.25","","Buschendorf, F","Die Kristallstruktur des Silberperrhenats.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1933","20","","237","244","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1010836","4.48","0.02","4.48","0.02","6.96","0.03","90","","90","","120","","121","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Calcium iodide","","- Ca I2 -","- Ca I2 -","- Ca I2 -","1","0.0833333","","Blum, H","Die Kristallstruktur des wasserfreien Magnesiumjodids und Calciumjodids.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1933","22","","298","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","209441","2020-10-21","18:00:00",""
"1010837","9.8","","9.8","","9.8","","90","","90","","90","","941.2","","","","","","","","","","","","","3","","","","","Zinc dichromium sulfide","","- Cr2 S4 Zn -","","","8","","","Hertel, E; Holt, H von","Austauschreaktionen zwischen fein verteilten kristallinen Phasen und Gasen.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1935","28","","393","401","10.1524/zpch.1961.28.5_6.393","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010838","4.33","0.01","4.33","0.01","4.33","0.01","90","","90","","90","","81.2","","","","","","","","","","","","","2","","","","","Beryllium carbide","","- C Be2 -","","","4","","","Stackelberg, M von; Quatram, F","Die Struktur des Berylliumcarbids Be~2~ C.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1934","27","","50","52","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010839","3","0.01","3","0.01","3.25","0.01","90","","90","","120","","25.3","","","","","","","","","","","","","2","","","","","Aluminium boride (1/2)","","- Al B2 -","","","1","","","Hofmann, W; Jaeniche, W","Die Struktur von Aluminiumborid Al B~2~","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1936","31","","214","222","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010840","7.095","0.003","4.908","0.003","3.73","0.003","90","","90","","90","","129.9","","","","","","","","","","","","","2","","","","","Cobalt silicide","","- Co2 Si -","","","4","","","Boren, B; Stahl, S; Westgren, A","Kristallstruktur und Zusammensetzung des rhombischen Kobaltsilicides.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1935","29","","231","235","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010841","6.368","0.003","6.368","0.003","6.368","0.003","90","","90","","90","","258.2","","","","","","","","","","","","","2","","","","","Radium fluoride","","- F2 Ra -","","","4","","","Schulze, G E R","Die Kristallstruktur von Radiumfluorid.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1936","32","","430","432","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010842","4.49","","4.49","","4.49","","90","","90","","90","","90.5","","","","","","","","","","","","","3","","","","","Caesium nitrate","","- Cs N O3 -","","","","","","Finbak, Chr.; Hassel, O.","Rotation von Anionpolyedern in kubischen Kristallgittern. III. Die Nitrate","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1937","35","1","25","28","10.1515/zpch-1937-3504","","","","","","","","","","","","","","","","","","","","","","205204","2020-10-21","18:00:00",""
"1010843","2.863","","2.863","","2.863","","90","","90","","90","","23.5","","","","","","","","","","","","","4","","","","","Tetrakis(ammonium) iron cyanide","","- C6 H16 Fe N10 -","","","","","","Brill, R; Mark, H","Roentgenographische Studien am Abbau komplexer Eisencyanide.","Zeitschrift fuer Physikalische Chemie (Leipzig)","1928","133","","443","455","","","","","","","","","","","","","","","","","","","","","","","278156","2022-09-26","15:27:21",""
"1010844","7.37","","7.37","","8.91","","90","","90","","120","","419.1","","","","","","","","","","","","","3","","","","","Tricaesium diarsenic chloride","","- As2 Cl9 Cs3 -","","","1","","","Hoard, J L; Goldstein, L","The structure of Caesium Enneachlordiarsenite","Journal of Chemical Physics","1935","3","","117","122","10.1063/1.1749606","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010845","5.7","","5.7","","6.72","","90","","90","","90","","218.3","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Dipotassium hyperoxide","","- K2 O4 -","","","2","0.0625","","Kassatochkin, W; Kotow, W","Structure of Potassium Tetroxide","Journal of Chemical Physics","1936","4","","458","458","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010846","14.74","","14.95","","6.47","","91.4","","90.38","","86.89","","1423.2","","","","","","","","","","","","","6","","","","","Calcium sulfate tetraurea","","- C4 H16 Ca N8 O8 S -","","","4","","","Hendricks, S B","The Crystal Structure of Ca S O~4~ C O (N H~2~)~2~","Journal of Physical Chemistry","1933","37","","1109","1122","10.1021/j150351a004","","","","","","","","","","","","","","","","","","","","","","278157","2022-09-26","15:27:22",""
"1010847","20.3","0.06","6.76","0.03","13.53","0.05","90","","118.3","","90","","1634.8","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Samarium(II) sulfate octahydrate","","- H16 O12 S Sm -","","","4","0.5","","Zachariasen, W H","Note on the Crystal Lattice of Samarium Sulphate Octo-Hydrate","Journal of Chemical Physics","1935","3","","197","198","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010848","13.2","0.05","7.45","0.02","7.58","0.02","90","","91","","90","","745.3","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Thallium trithionate","","- O6 S3 Tl2 -","","","4","0.5","","Ketelaar, J A A; Sanders, J K","The Crystal Structure of Thallium Trithionate, Tl~2~ S~3~ O~6~","Journal of Chemical Physics","1936","4","","621","621","10.1063/1.1749917","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010849","5.93","","4.65","","6.36","","90","","105.78","","90","","168.8","","","","","","","","","","","","","3","","","","","Pentakis(lead oxide) dihydrate","","- H4 O7 Pb5 -","","","1","","","Clark, G L; Tyler, W P","On Lead Oxides. II. Hydrous, Normal and Active Lead Monoxides","Journal of the American Chemical Society","1939","61","","58","65","10.1021/ja01870a016","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010850","12.238","0.001","12.238","0.001","12.238","0.001","90","","90","","90","","1832.9","","","","","","","","","","","","","5","","","","","Thallium chromium sulfate dodecahydrate","","- Cr H24 O20 S2 Tl -","","","","","","Klug, H P","Crystal-Chemical Studies of the Alums. II. The Purple Chrome Alums","Journal of the American Chemical Society","1940","62","","2992","2993","10.1021/ja01868a027","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010851","8.382","","36.125","0.008","10.464","","90","","116","0.1","90","","2847.8","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ammonium heptamolybdate tetrahydrate","","- H32 Mo7 N6 O28 -","","","4","1","","Sturdivant, J H","The Formula of Ammonium Paramolybdate","Journal of the American Chemical Society","1937","59","","630","631","10.1021/ja01283a010","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010852","4.98","","4.98","","4.98","","90","","90","","90","","123.5","","","","","","","","","","","","","3","","","","","Copper iron cyanide","","- Cu Fe N4 -","","","1","","","Fordham, S; Tyson, J T","The Structure of Semipermeable Membranes of Inorganic Salts.","Journal of the Chemical Society","1937","1937","","483","487","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010853","8.28","","8.28","","8.28","","90","","90","","90","","567.7","","","","","","","","","","","","","3","","","","","Lead iron cyanide","","- Fe N4 Pb -","","","1","","","Fordham, S; Tyson, J T","The Structure of Semipermeable Membranes of Inorganic Salts.","Journal of the Chemical Society","1937","1937","","483","487","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010854","10.09","","10.09","","10.09","","90","","90","","90","","1027.2","","","","","","","","","","","","","4","F m -3","-F 2 2 3","202","","Hexaamminenickel chloride","","- Cl2 H18 N6 Ni -","","","4","0.0416667","","Wyckoff, R W G","The crystal structures of the hexaammoniates of the nickel halides","Journal of the American Chemical Society","1922","44","","1239","1245","10.1021/ja01427a007","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010855","10.48","","10.48","","10.48","","90","","90","","90","","1151","","","","","","","","","","","","","4","","","","","Hexaamminenickel bromide","","- Br2 H18 N6 Ni -","","","4","","","Wyckoff, R W G","The crystal structures of the hexaammoniates of the nickel halides","Journal of the American Chemical Society","1922","44","","1239","1245","10.1021/ja01427a007","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010856","11.01","","11.01","","11.01","","90","","90","","90","","1334.6","","","","","","","","","","","","","4","","","","","Hexaamminenickel iodide","","- H18 I2 N6 Ni -","","","4","","","Wyckoff, R W G","The crystal structures of the hexaammoniates of the nickel halides","Journal of the American Chemical Society","1922","44","","1239","1245","10.1021/ja01427a007","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010857","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tungsten carbide (2/1)","","- C W2 -","","","","","","Andrews, M R; Dushman, S","Diffusion of Carbon Thru Tungsten and Tungsten Carbide","Journal of Physical Chemistry","1925","29","","462","472","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010858","6.85","","6.85","","10.95","","90","","90","","120","","445","","","","","","","","","","","","","3","","","","","Sodium catena-borate","","- B Na O2 -","","","16","","","Cole, S S; Scholes, S R; Amberg, C R","The System R~2~ O - B~2~ O~3~, II. Properties of Anhydrous and Hydrated Metaborates of Sodium and Potassium","Journal of the American Ceramic Society","1935","18","","58","61","10.1111/j.1151-2916.1935.tb19353.x","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010859","5.79","","5.79","","5.79","","90","","90","","90","","194.1","","","","","","","","","","","","","3","","","","","Mercury zinc sulfide (0.61/0.39/1)","","- Hg0.61 S Zn0.39 -","","","","","","Moltzau, R; Kolthoff, I M","Mixed crystal formation of zinc sulfide postprecipitated with mercuric sulfide. The aging of mercuric sulfide and of zinc sulfide","Journal of Physical Chemistry","1936","40","","637","643","10.1021/j150374a009","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010860","8.14","","8.14","","8.14","","90","","90","","90","","539.4","","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","Diammonium copper bromide dihydrate","","- Br4 Cu H12 N2 O2 -","","","","","","Silberstein, M A","Sur quelques complexes bromocupriques.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1937","205","","909","911","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010861","4.2","","4.2","","4.2","","90","","90","","90","","74.1","","","","","","","","","","","","","4","","","","","Diamminemercury bromide","","- Br2 H6 Hg N2 -","","","","","","Bijvoet, J M; MacGillavry, C H","De kristalstructuur van eenige ammoniakaten van het type M (N H~3~)~2~ Cl~2.~","Chemisch Weekblad","1935","32","","346","347","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010862","12.35","0.01","12.35","0.01","12.35","0.01","90","","90","","90","","1883.7","","","","","","","","","","","","","6","","","","","Calcium sodium magnesium manganese arsenate (2/1/1.27/0.73/3)","","- As3 Ca2 Mg1.27 Mn0.73 Na O12 -","","","","","","Bubeck, W","Die Gitterkonstante und Schmelzpunkte der Berzeliite.","Geologiska Foereningens i Stockholm Foerhandlingar","1934","56","","525","530","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010863","5.49","","5.49","","5.49","","90","","90","","90","","165.5","","","","","","","","","","","","from Mill Close Mine, Derbyshire","3","","","","","Iron nickel sulfide (0.65/0.35/2)","Bravoite","- Fe0.65 Ni0.35 S2 -","","","","","","Bannister, F A; Hey, M H","Bravoite from Mill Close mine, Derbyshire.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1940","25","","609","615","10.1180/minmag.1940.025.170.05","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010864","44.06","","76.31","","8.6","","90","","90","","120","","25041.2","","","","","","","","","","","","from the British Museum","3","","","","","Hexalead 14-antimony 27-sulfide","Zinckenite","- Pb6 S27 Sb14 -","","","12","","","Vaux, G; Bannister, F A","The identity of Zinckenite and Keeleyite.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1938","25","","221","227","10.1180/minmag.1938.025.163.06","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010865","4.38","","4.38","","2.86","","90","","90","","90","","54.9","","","","","","","","","","","","from Elgersburg, Thuringia","3","","","","","Tetrahydrogen dimanganese octamanganese(IV) oxide","Pyrolusite","- H4 Mn10 O20 -","","","","","","Vaux, G; Bennett, H","X-ray studies on Pyrolusite (including Polianite) and Psilomelane.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1937","24","","521","526","10.1180/minmag.1937.024.157.02","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010866","7.86","","16.62","","5.65","","90","","90","","90","","738.1","","","","","","","","","","","","from Northern Rhodesia.","10","C m c m","-C 2c 2","63","","Aluminium cobalt iron hydrogen manganese magnesium nickel titanium silicate *","Staurolite cobaltiferous","- Al17.01 Co1.93 Fe1.87 H2.26 Mg1.09 Mn0.02 Ni0.2 O47.3 Si7.75 Ti0.11 -","","","8","0.5","","Skerl, A C; Bannister, F A; Groves, A W","Lusakite, a cobalt-bearing silicate from Northern Rhodesia.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1934","23","","598","606","10.1180/minmag.1934.023.146.03","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010867","18.48","","18.95","","6.54","","90","","89.35","","90","","2290.1","","","","","","","","","","","","","5","","","","","Calcium alumosilicate hydrate *","Scolecite","- Al2 Ca H6 O13 Si3 -","","","8","","","Hey, M H; Bannister, F A","Studies on the Zeolites. Part IX. Scolecite and Metascolecite.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1936","24","","227","253","10.1180/minmag.1936.024.152.02","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010868","56.7","0.1","6.54","0.02","18.44","0.04","90","","90","0.3","90","","6837.9","","","","","","","","","","","","","6","C 1 2 1","C 2y","5","","Calcium sodium alumosilicate hydrate * e","Mesolite","- Al6 Ca2 H16 Na2 O38 Si9 -","","","8","2","","Hey, M H; Bannister, F A","Studies on the Zeolites. Part V. Mesolite.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1933","23","","421","447","10.1180/minmag.1933.023.143.01","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010869","9.58","","9.58","","9.58","","83.8","","83.8","","83.8","","864.8","","","","","","","","","","","","","3","R -3 c RS","","167","","Caesium nonachlorodithallate","","- Cl9 Cs3 Tl2 -","- Cl9 Cs3 Tl2 -","- Cl18 Cs6 Tl4 -","2","","","Hoard, J L; Goldstein, L","The Crystal Structure of Cesium Enneachlordithalliate, Cs~3~ Tl~2~ Cl~9~","Journal of Chemical Physics","1935","3","","199","202","10.1063/1.1749633","","","","","","","","","","","","","","","","","","","","","has coordinates","277832","2022-09-14","15:07:16",""
"1010870","10.46","","10.46","","10.46","","90","","90","","90","","1144.4","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium hexabromoselenate(IV)","","- Br6 H8 N2 Se -","- Br6 H8 N2 Se -","- Br24 H32 N8 Se4 -","4","0.0208333","","Sieg, L","Die Kristallstruktur des Ammoniumhexabromoselenats","Zeitschrift fuer Anorganische und Allgemeine Chemie","1932","207","","93","96","10.1002/zaac.19322070109","","","","","","","","","","","","","","","","","","","","","has coordinates","198631","2020-10-21","18:00:00",""
"1010871","4.243","","4.243","","4.243","","90","","90","","90","","76.4","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Titanium carbide nitride (1/.2/.8)","","- C0.2 N0.8 Ti -","- C0.2 N0.8 Ti -","- C0.8 N3.2 Ti4 -","4","0.0208333","","Goldschmidt, V M","Ueber das Woehlersche Cyanstickstofftitan","Nachrichten der Akademie der Wissenschaften, Goettingen, Mathematisch- Physikalisch-Chemische Abteilung","1927","1927","","390","393","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010872","8.22","","8.22","","3.27","","90","","90","","120","","191.3","","","","","","","","","","","","","4","P -6 m 2","P -6 2","187","","Sodium lithium carbonate","","- C Li Na O3 -","- C Li Na O3 -","- C3 Li3 Na3 O9 -","3","0.25","","Eitel, W; Skaliks, W","Ueber einige Doppelcarbonate der Alkalien und Erdalkalien","Zeitschrift fuer Anorganische und Allgemeine Chemie","1929","183","","263","286","10.1002/zaac.19291830119","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010873","12.141","0.005","12.141","0.005","12.141","0.005","90","","90","","90","","1789.6","","","","","","","","","","","","","4","P n -3 m :1","P 4n 2 3 -1n","224","","Trihydrogen dodecatungstophosphate","","- H3 O40 P W12 -","- H3 O40 P W12 -","- H6 O80 P2 W24 -","2","0.0416667","","Keggin, J F","The Structure and Formula of 12-Phosphotungstic Acid","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1934","144","","75","100","10.1098/rspa.1934.0035","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010874","5.708","","5.708","","5.708","","90","","90","","90","","186","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dilithium sulfide","","- Li2 S -","- Li2 S -","- Li8 S4 -","4","0.0208333","","Zintl, E.; Harder, A.; Dauth, B.","Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums, Natriums und Kaliums","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1934","40","","588","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","174983","2020-10-21","18:00:00",""
"1010875","6.504","","6.504","","6.504","","90","","90","","90","","275.1","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dilithium telluride","","- Li2 Te -","- Li2 Te -","- Li8 Te4 -","4","0.0208333","","Zintl, E.; Harder, A.; Dauth, B.","Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums, Natriums und Kaliums","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1934","40","","588","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","174983","2020-10-21","18:00:00",""
"1010876","5.55","","5.55","","5.55","","90","","90","","90","","171","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Disodium oxide","","- Na2 O -","- Na2 O -","- Na8 O4 -","4","0.0208333","","Zintl, E.; Harder, A.; Dauth, B.","Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums, Natriums und Kaliums","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1934","40","","588","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010877","7.314","","7.314","","7.314","","90","","90","","90","","391.3","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Disodium telluride","","- Na2 Te -","- Na2 Te -","- Na8 Te4 -","4","0.0208333","","Zintl, E.; Harder, A.; Dauth, B.","Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums, Natriums und Kaliums","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1934","40","","588","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","174983","2020-10-21","18:00:00",""
"1010878","6.436","","6.436","","6.436","","90","","90","","90","","266.6","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dipotassium oxide","","- K2 O -","- K2 O -","- K8 O4 -","4","0.0208333","","Zintl, E.; Harder, A.; Dauth, B.","Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums, Natriums und Kaliums","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1934","40","","588","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010879","8.015","","9.679","","6.244","","90","","90","","90","","484.4","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","metaboric acid - orthorhombic form","","- B H O2 -","- B H O2 -","- B12 H12 O24 -","12","1.5","","Tazaki, H.","The structure of orthorhombic metaboric acid, HBO~2~ (α)","Journal of Science of the Hiroshima University, Series A: Mathematics, Physics, Chemistry","1940","10","","55","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010880","5.912","0.003","5.912","","5.912","","90","","90","","90","","206.6","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Calcium selenide","","- Ca Se -","- Ca Se -","- Ca4 Se4 -","4","0.0208333","","Oftedal, I","Die Gitterkonstanten von Ca O, Ca S, Ca Se, Ca Te.","Zeitschrift fuer Physikalische Chemie (Leipzig)","1927","127","","154","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010881","6.345","0.008","6.345","","6.345","","90","","90","","90","","255.4","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Calcium telluride","","- Ca Te -","- Ca Te -","- Ca4 Te4 -","4","0.0208333","","Oftedal, I","Die Gitterkonstanten von Ca O, Ca S, Ca Se, Ca Te.","Zeitschrift fuer Physikalische Chemie (Leipzig)","1927","127","","154","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010882","3.86","","3.86","","3.86","","90","","90","","90","","57.5","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Thallium antimonide","","- Sb Tl -","- Sb Tl -","- Sb Tl -","1","0.0208333","","Barth, T","Ueber das System Thallium-Antimon","Zeitschrift fuer Physikalische Chemie (Leipzig)","1927","127","","113","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010883","4.775","0.005","4.775","0.005","4.775","0.005","90","","90","","90","","108.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Calcium cadmium oxide (.75/.25/1)","","- Ca0.75 Cd0.25 O -","- Ca0.75 Cd0.25 O -","- Ca3 Cd O4 -","4","0.0208333","","Natta, G; Passerini, L","Soluzioni solide, isomorfismo e simmorfismo tra gli ossidi dei metalli bivalenti. - 1. Sistemi: CaO-CdO, CaO-MnO, CaO-CoO, CaO-NiO, CaO-MgO.","Gazzetta Chimica Italiana","1929","59","","129","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010884","4.76","0.005","4.76","0.005","4.76","0.005","90","","90","","90","","107.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Calcium cadmium oxide (.50/.50/1)","","- Ca0.5 Cd0.5 O -","- Ca0.5 Cd0.5 O -","- Ca2 Cd2 O4 -","4","0.0208333","","Natta, G; Passerini, L","Soluzioni solide, isomorfismo e simmorfismo tra gli ossidi dei metalli bivalenti. - 1. Sistemi: CaO-CdO, CaO-MnO, CaO-CoO, CaO-NiO, CaO-MgO.","Gazzetta Chimica Italiana","1929","59","","129","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010885","4.74","0.005","4.74","0.005","4.74","0.005","90","","90","","90","","106.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Calcium cadmium oxide (.25/.75/1)","","- Ca0.25 Cd0.75 O -","- Ca0.25 Cd0.75 O -","- Ca Cd3 O4 -","4","0.0208333","","Natta, G; Passerini, L","Soluzioni solide, isomorfismo e simmorfismo tra gli ossidi dei metalli bivalenti. - 1. Sistemi: CaO-CdO, CaO-MnO, CaO-CoO, CaO-NiO, CaO-MgO.","Gazzetta Chimica Italiana","1929","59","","129","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010886","8.015","","9.679","","6.244","","90","","90","","90","","484.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Metaboric acid - $-ALPHA","","- B H O2 -","","","12","1.5","","Tazaki, H","Single crystals of metaboric acid.","Journal of Science of the Hiroshima University, Series A: Mathematics, Physics, Chemistry","1940","10","","37","54","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010887","6.76","","8.8","","7.15","","90","","92.7","","90","","424.9","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Metaboric acid - $-BETA","","- B H O2 -","","","12","3","","Tazaki, H","Single crystals of metaboric acid.","Journal of Science of the Hiroshima University, Series A: Mathematics, Physics, Chemistry","1940","10","","37","54","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010888","9.74","0.01","9.74","0.01","9.74","0.01","90","","90","","90","","924","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium hexachloropalladate(IV)","","- Cl6 K2 Pd -","- Cl6 K2 Pd -","- Cl24 K8 Pd4 -","4","0.0208333","","Ketelaar, J A A; Van Walsem, J F","Die Krystallstruktur des Ammonium-, Kalium-, Rubidium- und Caesiumpalladiumhexachlorids und -bromids","Recueil des Travaux Chimiques des Pays-Bas et de la Belgique","1938","57","","964","966","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010889","9.99","0.01","9.99","0.01","9.99","0.01","90","","90","","90","","997","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium hexachloropalladate(IV)","","- Cl6 Pd Rb2 -","- Cl6 Pd Rb2 -","- Cl24 Pd4 Rb8 -","4","0.0208333","","Ketelaar, J A A; Van Walsem, J F","Die Krystallstruktur des Ammonium-, Kalium-, Rubidium- und Caesiumpalladiumhexachlorids und -bromids","Recueil des Travaux Chimiques des Pays-Bas et de la Belgique","1938","57","","964","966","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010890","10.82","0.01","10.82","0.01","5.95","0.01","90","","90","","90","","696.6","","","","","","","","","","","","","3","P 42/n :1","P 4n -1n","86","","Cyclo-tetrakis(phosphorus(V) nitride dichloride)","","- Cl8 N4 P4 -","- Cl8 N4 P4 -","- Cl16 N8 P8 -","2","0.25","","Ketelaar, J. A. A.; De Vries, T. A.","The Crystal Structure of Tetra Phosphonitrile Chloride , P~4~N~4~Cl~8~","Recueil des Travaux Chimiques des Pays-Bas et de la Belgique","1939","58","","1081","1099","10.1002/recl.19390581205","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010891","6.898","0.005","6.898","0.005","4.802","0.005","90","","90","","120","","197.9","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","Manganese silicide (5/3)","","- Mn5 Si3 -","- Mn5 Si3 -","- Mn10 Si6 -","2","0.0833333","","Amark, K.; Boren, B.; Westgren, A.","On the crystal structure of Mn~5~Si~3~","Svensk Kemisk Tidskrift","1936","48","","273","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","200127","2020-10-21","18:00:00",""
"1010892","5.1","","6.83","","5.4","","106.9","","90.17","","102.6","","175.2","","","","","","","","","","","","","3","P -1","-P 1","2","","Potassium peroxodisulfate","","- K2 O8 S2 -","- K2 O8 S2 -","- K2 O8 S2 -","1","0.5","","Keen, R C","The Crystal Structure of Potassium Persulfate K~2~ S~2~ O~8~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","91","","129","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010893","6.34","0.002","6.34","0.002","6.34","0.002","90","","90","","90","","254.8","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Ytterbium(II) telluride","","- Te Yb -","- Te Yb -","- Te4 Yb4 -","4","0.0208333","","Senff, H; Klemm, W","Ytterbochalkogenide","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","242","","92","96","10.1002/zaac.19392420111","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010894","5.867","0.002","5.867","0.002","5.867","0.002","90","","90","","90","","202","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Ytterbium(II) selenide","","- Se Yb -","- Se Yb -","- Se4 Yb4 -","4","0.0208333","","Senff, H; Klemm, W","Ytterbochalkogenide","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","242","","92","96","10.1002/zaac.19392420111","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010895","4.085","0.001","4.085","0.001","4.085","0.001","90","","90","","90","","68.2","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Lithium hydride","","- H Li -","- H Li -","- H4 Li4 -","4","0.0208333","","Zintl, E; Harder, A","Gitterdimensionen des Lithiumhydrids Li H und Lithiumdeuterids Li D","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1935","28","","478","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010896","4.065","0.001","4.065","0.001","4.065","0.001","90","","90","","90","","67.2","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Lithium deuteride","","- D Li -","- D Li -","- D4 Li4 -","4","0.0208333","","Zintl, E; Harder, A","Gitterdimensionen des Lithiumhydrids Li H und Lithiumdeuterids Li D","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1935","28","","478","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010897","4.1","","4.1","","4.1","","90","","90","","90","","68.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lithium titanium oxide (2.7/1.3/4)","","- Li2.666 O3.999 Ti1.333 -","- Li2.68 O4 Ti1.32 -","- Li2.68 O4 Ti1.32 -","1","0.00520833","","Kordes, E","Ueber die Steinsalzstruktur der Verbindung Li~2~ Ti O~3~ und ihre Mischkristallbildung mit Mg O","Fortschritte der Mineralogie","1933","18","","27","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010898","4.415","","4.415","","4.415","","90","","90","","90","","86.1","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Manganese oxide","","- Mn O -","- Mn O -","- Mn4 O4 -","4","0.0208333","","Ruhemann, B","Temperaturabhaengigkeit der Gitterkonstanten von Manganoxyd","Physikalische Zeitschrift","1935","36","","590","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010899","7","","7","","7","","90","","90","","90","","343","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Strontium chloride","","- Cl2 Sr -","- Cl2 Sr -","- Cl8 Sr4 -","4","0.0208333","","Mark, H; Tolksdorf, S","Ueber das Beugungsvermoegen der Atome fuer Roentgenstrahlen.","Zeitschrift fuer Physik","1925","33","","681","687","10.1007/BF01328353","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010900","4.662","0.002","4.662","0.002","4.662","0.002","90","","90","","90","","101.3","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Caesium iodate","","- Cs I O3 -","- Cs I O3 -","- Cs I O3 -","1","0.0208333","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010901","4.094","0.002","4.094","0.002","4.094","0.002","90","","90","","90","","68.6","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Strontium zirconate","","- O3 Sr Zr -","- O3 Sr Zr -","- O3 Sr Zr -","1","0.0208333","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010902","3.75","0.05","3.75","0.05","3.75","0.05","90","","90","","90","","52.7","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Cadmium titanate","","- Cd O3 Ti -","- Cd O3 Ti -","- Cd O3 Ti -","1","0.0208333","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010903","6.02","","6.02","","6.02","","90","","90","","90","","218.2","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Sodium hydrogensulfide - at 473K","","- H Na S -","- H Na S -","- H4 Na4 S4 -","4","0.0208333","","Teichert, W; Klemm, W","Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","243","","86","98","10.1002/zaac.19392430108","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010904","6.62","","6.62","","6.62","","90","","90","","90","","290.1","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium hydrogensulfide - at 473K","","- H K S -","- H K S -","- H4 K4 S4 -","4","0.0208333","","Teichert, W; Klemm, W","Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","243","","86","98","10.1002/zaac.19392430108","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010905","6.89","","6.89","","6.89","","90","","90","","90","","327.1","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium hydrogensulfide - at 473K","","- H Rb S -","- H Rb S -","- H4 Rb4 S4 -","4","0.0208333","","Teichert, W; Klemm, W","Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","243","","86","98","10.1002/zaac.19392430108","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010906","4.302","","4.302","","4.302","","90","","90","","90","","79.6","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Caesium hydrogensulfide - at 473K","","- Cs H S -","- Cs H S -","- Cs H S -","1","0.0208333","","Teichert, W; Klemm, W","Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","243","","86","98","10.1002/zaac.19392430108","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010907","6.26","","6.26","","6.26","","90","","90","","90","","245.3","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Sodium hydrogenselenide - at 473K","","- H Na Se -","- H Na Se -","- H4 Na4 Se4 -","4","0.0208333","","Teichert, W; Klemm, W","Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","243","","86","98","10.1002/zaac.19392430108","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010908","6.87","","6.87","","6.87","","90","","90","","90","","324.2","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium hydrogenselenide - at 473K","","- H K Se -","- H K Se -","- H4 K4 Se4 -","4","0.0208333","","Teichert, W; Klemm, W","Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","243","","86","98","10.1002/zaac.19392430108","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1010909","6.92","","6.92","","6.92","","90","","90","","90","","331.4","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium hydrogenselenide - at 473K","","- H Rb Se -","- H Rb Se -","- H4 Rb4 Se4 -","4","0.0208333","","Teichert, W; Klemm, W","Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","243","","86","98","10.1002/zaac.19392430108","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1010910","4.437","","4.437","","4.437","","90","","90","","90","","87.4","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Caesium hydrogenselenide - at 473K","","- Cs H Se -","- Cs H Se -","- Cs H Se -","1","0.0208333","","Teichert, W; Klemm, W","Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","1939","243","","86","98","10.1002/zaac.19392430108","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010911","12.35","","12.35","","12.35","","90","","90","","90","","1883.7","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Dicalcium sodium dimagnesium arsenate","Berzeliite","- As3 Ca2 Mg2 Na O12 -","- As3 Ca2.001 Mg2 Na0.999 O12 -","- As24 Ca16.008 Mg16 Na7.992 O96 -","8","0.0833333","","Bubeck, W; Machatschki, F","Die Kristallstruktur des Berzeliit (Ca, Na)3 (Mg, Mn)2 (As O4)3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","44","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010912","5.21","","5.26","","5.37","","90","","80.53","","90","","145.2","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Zirconium oxide","Baddeleyite","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","1","","Naray-Szabo, S","Zur Struktur des Baddeleyits Zr O2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","414","416","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010913","9.51","","5.65","","6.42","","90","0","90","0","90","0","345","","","","","","","","","","","","from Spindelmuehle, Riesengebirge, Bohemia","3","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","","Iron arsenide sulfide (1/1/1)","Arsenopyrite","- As Fe S -","- As Fe S -","- As8 Fe8 S8 -","8","","","Buerger, M J","The symmetry and crystal structure of the minerals of the arsenopyrite group","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","83","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010914","5.12","0.01","5.12","0.01","5.12","0.01","55.28","","55.28","","55.28","","84.5","","","","","","","","","","","","Ceylon","2","R -3 c :R","-P 3* 2n","167","","Aluminium oxide","Corundum","- Al2 O3 -","- Al2 O3 -","- Al4 O6 -","2","0.166667","","Pauling, L; Hendricks, S B","Crystal Structures of Hematite and Corundum","Journal of the American Chemical Society","1925","47","","781","790","10.1021/ja01680a027","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:00:08",""
"1010915","5.082","","14.238","","5.73","","90","","90","","90","","414.6","","","","","","","","","","","","from Norway","3","P n c a","-P 2a 2n","60","","Iron niobate","Columbite","- Fe Nb2 O6 -","- Fe Nb2 O6 -","- Fe4 Nb8 O24 -","4","0.5","","Sturdivant, J H","The Crystal Structure of Columbite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","88","108","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010916","9.52","0.03","9.52","0.03","6.85","0.03","90","","90","","120","","537.6","","","","","","","","","","","","from Bamle Mines, Krageroe, Norway","4","P 63/m","-P 6c","176","","Pentacalcium tris(phosphate) chloride","Chlorapatite","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca10 Cl2 O24 P6 -","2","0.166667","","Hendricks, S B; Jefferson, M E; Mosley, V M","The Crystal Structures of Some Natural and Synthetic Apatite-Like Substances","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","81","","352","369","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1010917","8.15","","5.22","","6.58","","90","","106.3","","90","","268.7","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Calcium barium carbonate","Barytocalcite","- C2 Ba Ca O6 -","- C2 Ba Ca O6 -","- C4 Ba2 Ca2 O12 -","2","1","","Gossner, B; Mussgnug, F","Beitrag zur Kenntnis des Barytocalcits und seiner strukturellen Beziehungen zu anderen Stoffen","Zentralblatt fuer Mineralogie und Geologie, A","1930","1930","","321","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010918","6.86","","6.86","","12.7","","90","","90","","120","","517.6","","","","","","","","","","","","","4","P 32 2 1 S","","154","","Calcium sulfate hemihydrate","Bassanite","- Ca H O4.5 S -","- Ca H O4.5 S -","- Ca6 H6 O27 S6 -","6","","","Gallitelli, P","Ricerche sul solfato di calcio semidrato e sull'anidrite solubile","Periodico di Mineralogia","1933","4","","132","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1010919","6.89","","6.89","","6.269","","90","","90","","90","","297.6","","","","","","","","","","","","Synthetic","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Yttrium arsenate","Chernovite","- As O4 Y -","- As O4 Y -","- As4 O16 Y4 -","4","0.125","","Strada, M.; Schwendimann, G.","La struttura cristallina di alcuni fosfati ed arseniati di metalli trivalenti. II. Arseniato e fosfato di ittrio Locality: synthetic","Gazzetta Chimica Italiana","1934","64","","662","674","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1010920","3.802","","3.802","","16.42999","","90","","90","","120","","205.7","","","","","","","","","","","","from Summitville, Colorado","2","P 63/m m c","-P 6c 2c","194","","Copper sulfide","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Roberts, H S; Ksanda, C J","The Crystal Structure of Covellite","American Journal of Science, Serie 5(1,1921-1938)","1929","17","","489","503","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010921","7.16","","7.16","","7.16","","90","","90","","90","","367.1","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Silicon oxide","Cristobalite high","- O2 Si -","- O2 Si -","- O16 Si8 -","8","0.666667","","Barth, T F W","The Cristobalite Structures. I. High-Cristobalite","American Journal of Science, Serie 5(1,1921-1938)","1932","23","","350","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010922","4.804","","5.424","","11.76","","90","","90","","90","","306.4","","","","","","","","","","","","synthetic","2","P b n 21","P 2c -2ab","33","","Antimony phyllo-tetraoxoantimonate","Cervantite","- O4 Sb2 -","- O4 Sb2 -","- O16 Sb8 -","4","1","","Dihlstroem, K","Ueber den Bau des wahren Antimontetroxyds und des damit isomorphen Stibiotantalits, Sb Ta O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","239","","57","64","10.1002/zaac.19382390107","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1010923","7","0.01","7","0.01","10.39","0.01","90","","90","","90","","509.1","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Pentasodium trialuminium fluoride","Chiolite","- Al3 F14 Na5 -","- Al3 F14 Na5 -","- Al6 F28 Na10 -","2","0.125","","Brosset, C","Die Kristallstruktur des Chioliths","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","238","","201","208","10.1002/zaac.19382380205","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1010924","7.76","0.03","7.9","0.03","5.56","0.02","90","","90","","90","","340.9","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Aluminium silicate oxide","Andalusite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Taylor, W H","The Structure of Andalusite, Al2 Si O5","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1929","71","","205","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010925","8.31","","8.51","","6.06","","90","","90","","90","","428.6","","","","","","","","","","","","from Laurion, Greece","4","P n n m","-P 2 2n","58","","Zinc arsenate hydroxide","Adamite","- As H O5 Zn2 -","- As H1.5 O5 Zn2 -","- As4 H6 O20 Zn8 -","4","0.5","","Kokkoros, P","Ueber die Struktur von Adamin.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","417","434","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010927","10.57","","10.57","","10.57","","90","","90","","90","","1180.9","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Thallium(III) oxide","Avicennite","- O3 Tl2 -","- O3 Tl2 -","- O48 Tl32 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010928","6.36","","6.36","","6.36","","46.1","","46.1","","46.1","","121.9","","","","","","","","","","","","","3","R -3 c RS","-P 3* 2n","167","","Calcium carbonate","Calcite","- C Ca O3 -","- C Ca O3 -","- C2 Ca2 O6 -","2","","","Elliott, N","A Redetermination of the Carbon - Oxygen Distance in Calcite and the Nitrogen - Oxygen Distance in Sodium Nitrate","Journal of the American Chemical Society","1937","59","","1380","1382","10.1021/ja01286a065","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1010929","5.228","","5.228","","5.228","","90","","90","","90","","142.9","","","","","","","","","","","","from French Creek, Pa.","3","F -4 3 m","F -4 2 3","216","","Copper iron sulfide","Chalcopyrite","- Cu Fe S2 -","- Cu Fe S2 -","- Cu2 Fe2 S4 -","2","0.0208333","","Burdick, C L; Ellis, J H","The Crystal Structure of Chalcopyrite Determined by X-Rays","Journal of the American Chemical Society","1917","39","","2519","2525","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010930","3.928","","3.928","","5.12","","90","","90","","120","","68.4","","","","","","","","","","","","from Andreasberg","2","P 63/m m c","-P 6c 2c","194","","Nickel antimonide (1/1)","Breithauptite","- Ni Sb -","- Ni Sb -","- Ni2 Sb2 -","2","0.0833333","","Alsen, N","Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen","Geologiska Foereningens i Stockholm Foerhandlingar","1925","47","","19","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010931","4.511","","5.047","","6.738","","90","","90","","90","","153.404","","","","","","","","","","","","synthetic","2","P n m a (c,a-1/4,b)","-P 2ac 2n (z,x,y+1/4)","62","","Iron carbide (3/1)","Cohenite","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","","","Shimura, Shigetaka","A Study on the Structure of Cementite","Proceedings of the Imperial Academy (Tokyo)","1930","6","7","269","271","10.2183/pjab1912.6.269","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1010932","5.46","","5.61","","7.8","","90","","90.18","","90","","238.9","","","","","","","","","","","","from Greenland","3","P 1 21/n 1","-P 2yn","14","","Sodium hexafluoroaluminate","Cryolite","- Al F6 Na3 -","- Al F6 Na3 -","- Al2 F12 Na6 -","2","0.5","","Náray-Szabó, St. v.; Sasvári, K.","Die Struktur des Kryoliths Na~3~AlF~6~","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","27","31","10.1524/zkri.1938.99.1.27","","","","","","","","","","","","","","","","","","","","","has coordinates","175087","2020-10-21","18:00:00",""
"1010933","13.37","0.004","13.37","0.004","6.713","0.002","90","","90","","90","","1200","","","","","","","","","","","","synthetic","6","P 4/n :1","P 4ab -1ab","85","","Magnesium potassium bromide chloride hydrate (1/1/1.5/1.5/6)","Bromcarnallite","- Br1.5 Cl1.5 H12 K Mg O6 -","- Br1.5 Cl1.5 H12 K Mg O6 -","- Br6 Cl6 H48 K4 Mg4 O24 -","4","0.5","","Andress, K R; Saffe, O","Roentgenographische Untersuchung der Mischkristallreihe Karnallit- Bromkarnallit","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","101","","451","469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010934","12.097","0.004","12.097","0.004","12.097","0.004","90","","90","","90","","1770.2","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Trilithium trisodium dialuminium fluoride","Cryolithionite","- Al2 F12 Li3 Na3 -","- Al2 F12 Li3 Na3 -","- Al16 F96 Li24 Na24 -","8","0.0833333","","Menzer, G","Die Kristallstruktur des Kryolithionit","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","265","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010935","18.5","","17.89999","","5.27","","90","","90","","90","","1745.2","","","","","","","","","","","","from Edwards, New York","4","P n m a","-P 2ac 2n","62","","Magnesium hydrogensilicate *","Anthophyllite","- H2 Mg7 O24 Si8 -","- H3 Mg7 O24 Si8 -","- H12 Mg28 O96 Si32 -","4","0.5","","Warren, B E; Modell, D I","The structure of Anthophyllite H2 Mg7 (Si O3)8","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","161","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010936","4.518","","5.069","","6.736","","90","","90","","90","","154.3","","","","","","","","","","","","synthetic","2","P b n m","-P 2c 2ab","62","","Iron carbide (3/1)","Cohenite","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Hendricks, B S","The Crystal Structure of Cementite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","74","","534","545","","","","","","","","","","","","","","","","","","","","","","has coordinates","293657","2024-08-03","08:33:58",""
"1010937","9","","9","","15.8","","90","","90","","90","","1279.8","","","","","","","","","","","","","6","P 4/m n c","-P 4 2n","128","","Calcium potassium silicate hydrate *","Apophyllite","- Ca4 F H16 K O28 Si8 -","- Ca4 F H16 K O28 Si8 -","- Ca8 F2 H32 K2 O56 Si16 -","2","0.125","","Taylor, W H; Naray-Szabo, S","The Structure of Apophyllite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","77","","146","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010938","4.964","0.005","4.964","0.005","6.92","0.005","90","","90","","90","","170.5","","","","","","","","","","","","from Eschwege, Germany","2","P 41 21 2","P 4abw 2nw","92","","Silicon oxide","Cristobalite low","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Nieuwenkamp, W","Die Kristallstruktur des Tief-Cristobalits Si O2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","82","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010939","7.25","","7.25","","6.34","","90","","90","","90","","333.2","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Calcium chromate","Chromatite","- Ca Cr O4 -","- Ca Cr O4 -","- Ca4 Cr4 O16 -","4","0.125","","Clouse, J H","Investigations on the X-Ray Crystal Structures of Ca Cr O4, Ca Cr O4 * H2 O and Ca Cr O4 * (H2 O)2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","83","","161","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1010940","5.24","","5.24","","10.3","","90","","90","","90","","282.8","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Copper iron sulfide","Chalcopyrite","- Cu Fe S2 -","- Cu Fe S2 -","- Cu4 Fe4 S8 -","4","0.25","","Pauling, L; Brockway, L O","The Crystal Structure of Chalkopyrite Cu Fe S2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","82","","188","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010941","4.26","","4.26","","4.26","","90","","90","","90","","77.3","","","","","","","","","","","","","2","P n -3 m :1","P 4n 2 3 -1n","224","","Copper(I) oxide","Cuprite","- Cu2 O -","- Cu2 O -","- Cu4 O2 -","2","0.0416667","","Niggli, P","Die Kristallstruktur einiger Oxyde I.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1922","57","","253","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010942","3.73","","3.73","","9.37","","90","","90","","90","","130.4","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","Titanium oxide","Anatase","- O2 Ti -","- O2 Ti -","- O8 Ti4 -","4","0.125","","Parker, R L","Zur Kristallstruktur von Anastas und Rutil. (II. Teil. Die Anastasstruktur).","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1924","59","","1","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010943","2.685","","2.685","","4.369","","90","","90","","120","","27.3","","","","","","","","","","","","from Langban, Sweden","2","P 63 m c","P 6c -2c","186","","Beryllium oxide","Bromellite","- Be O -","- Be O -","- Be2 O2 -","2","0.166667","","Aminoff, G","Ueber Berylliumoxyd als Mineral und dessen Kristallstruktur.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1925","62","","113","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1010944","7.12","0.01","7.12","0.01","7.12","0.01","90","","90","","90","","360.9","","","","","","","","","","","","synthetic","2","F d -3 m :1","F 4d 2 3 -1d","227","","Silicon dioxide - β","Cristobalite high","- O2 Si -","- O2 Si -","- O16 Si8 -","8","0.0416667","","Wyckoff, Ralph W. G.","IX. Die Kristallstruktur von β-Crystobalit SiO~2~ (bei hohen Temperaturen stabile Form)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1925","62","1-6","189","200","10.1524/zkri.1925.62.1.189","","","","","","","","","","","","","","","","","","","","","has coordinates","200079","2020-10-21","18:00:00",""
"1010945","6.43","","6.43","","6.43","","90","","90","","90","","265.8","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Mercury telluride","Coloradoite","- Hg Te -","- Hg Te -","- Hg4 Te4 -","4","0.0416667","","de Jong, W F","Die Struktur des Tiemannit und Koloradoit.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","63","","466","472","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010946","9.458","0.003","9.458","0.003","9.458","0.003","90","","90","","90","","846.1","","","","","","","","","","","","from Mine Luushia, Katanga","3","F d -3 m :1","F 4d 2 3 -1d","227","","Dicobalt(III) copper sulfide","Carrollite","- Co2 Cu S4 -","- Co2 Cu S4 -","- Co16 Cu8 S32 -","8","0.0416667","","de Jong, W F; Hoog, A","Carrollit (Sychnodymit).","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1928","66","","168","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010947","12.1","0.25","12.1","0.25","12.1","0.25","90","","90","","90","","1771.6","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Trisodium trilithium hexafluoroaluminate","Cryolithionite","- Al2 F12 Li3 Na3 -","- Al2 F12 Li3 Na3 -","- Al16 F96 Li24 Na24 -","8","0.0833333","","Menzer, G","Die Kristallstruktur von Kryolithionit.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1927","66","","457","458","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010948","4.464","","4.464","","10.9","","90","","90","","90","","217.2","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Mercury(I) chloride","Calomel","- Cl2 Hg2 -","- Cl2 Hg2 -","- Cl4 Hg4 -","2","0.0625","","Hylleraas, E","Die Anordnung der Atome in den tetragonalen Kristallen der einwertigen Quecksilberhalogenide Hg2 Cl2, Hg2 Br2, Hg2 J2. Berechnung der optischen Doppelbrechung von Hg2 Cl2.","Zeitschrift fuer Physik","1926","36","","859","896","10.1007/BF01400219","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010949","6.36","","6.36","","6.36","","90","","90","","90","","257.3","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Mercury telluride","Coloradoite","- Hg Te -","- Hg Te -","- Hg4 Te4 -","4","0.0416667","","Zachariasen, W H","Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber","Norsk Geologisk Tidsskrift","1926","8","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010950","8.45","","5.38","","6.93","","90","","90","","90","","315","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lead sulfate","Anglesite","- O4 Pb S -","- O4 Pb S -","- O16 Pb4 S4 -","4","0.5","","James, R. W.; Wood, W. A.","The Crystal Structures of Barytes, Celestine and Anglesite","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1925","109","","598","620","10.1098/rspa.1925.0148","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1010951","5.13","0.02","5.13","0.02","5.13","0.02","55.27","0.08","55.27","0.08","55.27","0.08","85","","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","Aluminium oxide","Corundum","- Al2 O3 -","- Al2 O3 -","- Al4 O6 -","2","0.166667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO3","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010952","10.57","0.03","10.57","0.03","10.57","0.03","90","","90","","90","","1180.9","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Thallium(III) oxide","Avicennite","- O3 Tl2 -","- O3 Tl2 -","- O48 Tl32 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen A B O3","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010953","7.37","0.02","7.37","0.02","7.37","0.02","90","","90","","90","","400.3","","","","","","","","","","","","artificial","4","P 21 3","P 2ac 2ab 3","198","","Sodium aluminate silicate *","Carnegieite high","- Al Na O4 Si -","- Al Na O4 Si -","- Al4 Na4 O16 Si4 -","4","0.333333","","Barth, Tom F. W.; Posnjak, E.","Silicate structures of the cristobalite type: III. Structural relationship of high-cristobalite, α-Carnegieite, and Na~2~SiO~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","81","1","376","385","10.1524/zkri.1932.81.1.376","","","","","","","","","","","","","","","","","","","","","has coordinates","200076","2020-10-21","18:00:00",""
"1010954","7.12","0.01","7.12","0.01","7.12","0.01","90","","90","","90","","360.9","","","","","","","","","","","","","2","F 41 3 2","F 4d 2 3","210","","Silicon oxide","Cristobalite high","- O2 Si -","- O2 Si -","- O16 Si8 -","8","0.0833333","","Wyckoff, R W G","The crystal structure of the high temperature form of Cristobalite (Si O2)","American Journal of Science, Serie 5(1,1921-1938)","1925","9","","448","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010955","3.8","","3.8","","16.39999","","90","","90","","120","","205.1","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Copper sulfide","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Oftedal, I","Die Kristallstruktur des Covellins Cu S","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","83","","9","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010956","5.166","","8.468","","6.146","","90","","90","","90","","268.9","","","","","","","","","","","","","3","P m c n S2","-P 2n 2a","62","","Lead carbonate","Cerussite","- C O3 Pb -","- C O3 Pb -","- C4 O12 Pb4 -","4","","","Colby, M Y; LaCoste, L J B","The crystal structure of Cerussite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","84","","299","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010957","7.37","","7.37","","7.37","","90","","90","","90","","400.3","","","","","","","","","","","","\a - artificial","4","P 21 3","P 2ac 2ab 3","198","","Sodium aluminium silicate","Carnegieite","- Al Na O4 Si -","- Al Na O4 Si -","- Al4 Na4 O16 Si4 -","4","0.333333","","Barth, Tom F. W.; Posnjak, E.","Silicate structures of the cristobalite type: I. The crystal structure of α-carnegieite (NaAlSiO~4~)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","81","1","135","141","10.1524/zkri.1932.81.1.135","","","","","","","","","","","","","","","","","","","","","has coordinates","200078","2020-10-21","18:00:00",""
"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",""
"1010959","6.6","0.01","6.6","0.01","9.71","0.01","90","","90","","120","","366.3","","","","","","","","","","","","from St. Benito, California","4","P -6 c 2","P -6c 2","188","","Barium titanium cyclo-trisilicate","Benitoite","- Ba O9 Si3 Ti -","- Ba O9 Si3 Ti -","- Ba2 O18 Si6 Ti2 -","2","0.166667","","Zachariasen, W H","The crystal structure of Benitoite Ba Ti Si3 O9","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","74","","139","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010960","14.66","","18.5","","5.33","","90","","93.27","","90","","1443.2","","","","","","","","","","","","from Thedford Mines, Canada","4","C 1 2/m 1","-C 2y","12","","Hexamagnesium closo-undecaoxodisilicate hexahydroxide hydrate","Chrysotile","- H8 Mg6 O18 Si4 -","- H8 Mg6 O18 Si4 -","- H32 Mg24 O72 Si16 -","4","0.5","","Warren, B E; Bragg, W L","The crystal structure of chrysotile H4 Mg3 Si2 O9","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","76","","201","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010961","4.517","","5.07","","6.73","","90","","90","","90","","154.1","","","","","","","","","","","","synthetic","2","P b n m","-P 2c 2ab","62","","Iron carbide (3/1)","Cohenite","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Westgren, A","Cementitens kristallstruktur","Jernkontorets Annaler","1932","1932","","457","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1010962","6.36","","6.36","","6.36","","46.1","","46.1","","46.1","","121.9","","","","","","","","","","","","from Iceland","3","R -3 c RS","-P 3* 2n","167","","Calcium carbonate","Calcite","- C Ca O3 -","- C Ca O3 -","- C2 Ca2 O6 -","2","","","Wyckoff, R W G","The Crystal Structures of some Carbonates of the Calcite Group","American Journal of Science, Serie 4(-1920)","1920","50","","317","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","205139","2020-10-21","18:00:00",""
"1010963","4.258","0.004","4.258","","4.258","","90","","90","","90","","77.2","","","","","","","","","","","","synthetic","2","P n -3 m :1","P 4n 2 3 -1n","224","","Copper(I) oxide","Cuprite","- Cu2 O -","- Cu2 O -","- Cu4 O2 -","2","0.0416667","","Yamaguti, T","An investigation on oxidation of crystal surfaces with electron diffraction method, II.- copper single crystals","Proceedings of the Physico-Mathematical Society of Japan","1938","20","","230","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010964","6.37","","6.37","","6.58","","90","","90","","90","","267","","","","","","","","","","","","from Rustenburg and Potgietersrust, S.Africa","4","P 42/m","-P 4c","84","","Platinum palladium nickel sulfide (.6/.3/.1/1)","Braggite","- Ni0.13 Pd0.31 Pt0.56 S -","","","8","1","","Bannister, F A","The discovery of braggite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","201","202","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010965","7.05","","7.05","","7.05","","59.03","","59.03","","59.03","","242.3","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","Potassium trialuminium hexahydroxide bis(sulfate)","Alunite","- Al3 H6 K O14 S2 -","","","1","0.0833333","","Gossner, B","Ueber Sulfate und Phosphate mit aehnlichem Kristallgitter","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","488","492","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010966","19.04999","0.03","23.81999","0.03","4.047","0.001","90","","90","","90","","1836.4","","","","","","","","","","","","from Mondoux Claim, Mc-Elroy Township, Timiskaming District,","3","P b n m","-P 2c 2ab","62","","Lead sulfide bismuth sulfide *","Cosalite","- Bi2 Pb2 S5 -","","","8","1","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010967","11.72","0.03","14.52","0.03","4.07","0.02","90","","90","","90","","692.6","","","","","","","","","","","","from Kogrufvan, Nordmark Mines, Sweden","3","P n a m","-P 2c 2n","62","","Lead dibismuthum sulfide","Galenobismutite","- Bi2 Pb S4 -","","","4","0.5","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010968","13.9","","12.55","","14.9","","90","","90","","90","","2599.2","","","","","","","","","","","","from the Uranium Mine, Shinkolobwe, Katanga, Belgisch Kon","3","","","","","Diuranium(VI) oxide trihydrate","Becquerelite","- H6 O9 U2 -","","","4","","","Billiet, V; De Jong, W F","Schoepiet en Becquereliet","Nachrichten der Akademie der Wissenschaften, Goettingen, Mathematisch- Physikalisch-Chemische Abteilung","1935","1935","","157","162","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010969","","","","","","","","","","","","","","","","","","","","","","","","","","5","","","","","Calcium thiosilicate fluoride *","Ellestadite","- Ca10 F2 O24 S3 Si3 -","","","","","","Klement, R","Isomorpher Ersatz des Phosphors in Apatiten durch Silicium und Schwefel","Naturwissenschaften","1939","27","","57","58","10.1007/BF01488937","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010970","10.28","","10.28","","10.28","","90","","90","","90","","1086.4","","","","","","","","","","","","from Minas Geraes","4","","","","","Dicalcium diantimony(V) difluoride oxide","Romeite","- Ca2 F2 O6 Sb2 -","","","1","","","Aminoff, G","On the Minerals Weslienite and Atopite.","Kunglia Svenska Vetenskaps Akademiens Handlingar","1933","11","","14","18","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010971","13.44","","13.44","","8.72","","90","","90","","120","","1364.1","","","","","","","","","","","","from Langbanshyttan","3","","","","","Trimanganese diarsenic hexaoxide","Armangite","- As2 Mn3 O6 -","","","9","","","Aminoff, G","Lattice Dimensions of the Mineral Armanganite.","Kunglia Svenska Vetenskaps Akademiens Handlingar","1933","11","","19","20","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010972","19.34","","23.06","","4.95","","90","","90","","90","","2207.6","","","","","","","","","","","","from Switzerland","6","","","","","Calcium silicon aluminium beryllium oxide hydroxide (4/9/2/1/24/4)","Bavenite","- Al2 Be Ca4 H4 O28 Si9 -","","","4","","","Claringbull, G F","Occurences of Bavenite in Switzerland.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1940","25","","495","497","10.1180/minmag.1940.025.168.04","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010973","34.03999","0.05","34.03999","0.05","17.48999","0.05","90","","90","","90","","20266","","","","","","","","","","","","from the British Museum","9","P 42/m n m","-P 4n 2n","136","","Sodium potassium calcium magnesium manganese aluminium silicate hydrate *","Ashcroftine","- Al4 Ca H16 K Mg Mn Na O26 Si5 -","","","40","2.5","","Hey, M H; Bannister, F A","Studies on the Zeolites. Part IV. Ashcroftine (Kalithomsonite of S. G. Gordon).","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1933","23","","305","308","10.1180/minmag.1933.023.140.02","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010974","4.144","0.001","4.144","0.001","4.144","0.001","90","","90","","90","","71.2","","","","","","","","","","","","synthetic at 1373 K","2","F m -3 m","-F 4 2 3","225","","Chromium nitride","Carlsbergite","- Cr N -","- Cr N -","- Cr4 N4 -","4","0.0208333","","Blix, R","Roentgenanalyse des Chrom-Stickstoffsystems nebst einer orientierten Konstitutionsuntersuchung des stickstoffhaltigen Ferrochroms","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","3","","229","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010975","9.611","","9.611","","9.611","","90","","90","","90","","887.8","","","","","","","","","","","","from Mina San Antonio, Copiapa, Chile","2","I -4 3 d","I -4bd 2c 3","220","","Copper(I) arsenide","Domeykite low","- As Cu3 -","- As Cu3 -","- As16 Cu48 -","16","0.333333","","Steenberg, B","The Crystal Structure of Cu3 As and Cu3 P","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","2","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010976","7.137","0.004","7.137","0.004","7.295","0.005","90","","90","","120","","321.8","","","","","","","","","","","","from W. Cheyenne Canon, Colorado, USA","2","P 63 2 2","P 6c 2c","182","","Cerium fluoride","Fluocerite (Ce)","- Ce F3 -","- Ce F3 -","- Ce6 F18 -","6","0.5","","Oftedal, I","Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","5","","272","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010977","3.99","","3.99","","5.01","","90","","90","","90","","79.8","","","","","","","","","","","","synthetic from melt with KOH","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Lead oxide","Litharge","- O Pb -","- O Pb -","- O2 Pb2 -","2","0.125","","Dickinson, R G; Friauf, J B","The crystal structure of tetragonal lead monoxide","Journal of the American Chemical Society","1924","46","","2457","2462","10.1021/ja01676a015","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010978","5.3437","0.0035","5.3437","0.0035","5.3437","0.0035","90","","90","","90","","152.6","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Potassium fluoride","Carobbiite","- F K -","- F K -","- F4 K4 -","4","0.0208333","","Broch, E; Oftedal, I; Pabst, A","Neubestimmung der Gitterkonstanten von KF, CsCl und BaF2","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","3","","209","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1010979","7.4","","8.06","","3.74","","90","","90","","90","","223.1","","","","","","","","","","","","","4","P b m n","-P 2ab 2ab","53","","Copper dichloride dihydrate","Eriochalcite","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","MacGillavry, C H; Bijvoet, J M","Die Kristallstruktur der Cadmium- und QuecksilberDiammin-Dihalogenide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","231","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010980","8.43","","8.08","","5.9","","90","","90","","90","","401.9","","","","","","","","","","","","from Libethen, Neusohl, Czechia","4","P n n m","-P 2 2n","58","","Copper phosphate(V) hydroxide","Libethenite","- Cu2 H O5 P -","- Cu2 H1.25 O5 P -","- Cu8 H5 O20 P4 -","4","0.5","","Heritsch, H","Die Struktur des Libethenites Cu2 (O H) (P O4)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1940","102","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010981","10.47","","15.15","","6.51","","90","","151.55","","90","","491.9","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Calcium sulfate dihydrate","Gypsum","- Ca H4 O6 S -","- Ca H4 O6 S -","- Ca4 H16 O24 S4 -","4","0.5","","Wooster, W A","On the crystal structure of gypsum Ca S O4 (H2 O)2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","375","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010982","7.088","","7.088","","7.232","","90","","90","","120","","314.7","","","","","","","","","","","","synthetic","2","P -3 c 1","-P 3 2""c","165","","Copper(I) arsenide","Domeykite high","- As Cu3 -","- As Cu3 -","- As6 Cu18 -","6","0.5","","Steenberg, B","The Crystal Structure of Cu3 As and Cu3 P","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","2","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010983","7.176","0.004","7.176","0.004","7.344","0.007","90","","90","","120","","327.5","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Lanthanum fluoride","Fluocerite (La)","- F3 La -","- F3 La -","- F18 La6 -","6","0.5","","Oftedal, I","Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","5","","272","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010984","7.076","0.005","7.076","0.005","7.233","0.007","90","","90","","120","","313.6","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Praseodymium fluoride","Fluocerite (Pr)","- F3 Pr -","- F3 Pr -","- F18 Pr6 -","6","0.5","","Oftedal, P","Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","5","","272","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010985","7.034","0.004","7.034","0.004","7.211","0.005","90","","90","","120","","309","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Neodymium fluoride","Fluocerite (Nd)","- F3 Nd -","- F3 Nd -","- F18 Nd6 -","6","0.5","","Oftedal, I","Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","5","","272","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010986","6.99","","6.99","","7.16","","90","","90","","120","","303","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Samarium fluoride","Fluocerite (Sm)","- F3 Sm -","- F3 Sm -","- F18 Sm6 -","6","0.5","","Oftedal, I","Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","5","","272","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010987","7.09","0.02","7.72","0.04","5.56","0.02","90.09","","101.03","","105.74","","287","","","","","","","","","","","","","3","P -1","-P 1","2","","Dialuminium oxide silicate","Kyanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","2","","Naray-Szabo, S; Taylor, W H; Jackson, W W","The Structure of Cyanite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1929","71","","117","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010988","4.43","","9.36","","2.8","","90","","90","","90","","116.1","","","","","","","","","","","","from Shokozan, Japan","3","P b n m","-P 2c 2ab","62","","Aluminium oxide hydroxide","Diaspore","- Al H O2 -","- Al H1.5 O2 -","- Al4 H6 O8 -","4","0.5","","Takané, Katsutashi","Crystal Structure of Diaspore","Proceedings of the Imperial Academy (Tokyo)","1933","9","3","113","116","10.2183/pjab1912.9.113","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010989","4.48","","4.48","","4.48","","90","","90","","90","","89.9","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Manganese oxide","Manganosite","- Mn O -","- Mn O -","- Mn4 O4 -","4","0.0208333","","Ott, H.","Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2; Präzisionsmessungen einiger Alkalihalogenide","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1926","63","","222","230","10.1524/zkri.1926.63.1.222","","","","","","","","","","","","","","","","","","","","","has coordinates","259054","2020-11-09","11:00:07",""
"1010990","4.028","0.002","4.028","0.002","4.028","0.002","90","","90","","90","","65.4","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Lithium fluoride","Griceite","- F Li -","- F Li -","- F4 Li4 -","4","0.0208333","","Ott, H.","Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2; Präzisionsmessungen einiger Alkalihalogenide","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1926","63","","222","230","10.1524/zkri.1926.63.1.222","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1010991","5.501","","5.501","","5.501","","90","","90","","90","","166.5","","","","","","","","","","","","synthetic by reduction of CuCl2","2","F -4 3 m","F -4 2 3","216","","Copper(I) chloride","Nantokite","- Cl Cu -","- Cl Cu -","- Cl4 Cu4 -","4","0.0416667","","Wyckoff, R W G; Posnjak, E","The Crystal Structures of the Cuprous Halides","Journal of the American Chemical Society","1922","44","","30","36","10.1021/ja01422a005","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010992","8.38","","8.38","","8.38","","90","","90","","90","","588.5","","","","","","","","","","","","synthetic","4","F m -3 m","-F 4 2 3","225","","Ammonium hexafluorosilicate","Cryptohalite","- F6 H8 N2 Si -","- F6 H8 N2 Si -","- F24 H32 N8 Si4 -","4","0.0208333","","Bozorth, R M","The Crystal Structure of Ammonium Fluosilicate","Journal of the American Chemical Society","1922","44","","1066","1070","10.1021/ja01426a018","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1010993","3.15","0.02","3.15","0.02","12.3","0.07","90","","90","","120","","105.7","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Molybdenum disulfide","Molybdenite","- Mo S2 -","- Mo S2 -","- Mo2 S4 -","2","0.0833333","","Dickinson, R G; Pauling, L","The Crystal Structure of Molybdenite","Journal of the American Chemical Society","1923","45","","1466","1471","10.1021/ja01659a020","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010994","8.353","0.005","8.353","0.005","5.051","0.01","90","","90","","90","","352.4","","","","","","","","","","","","synthetic","2","P 42/m b c","-P 4c 2ab","135","","Selenium oxide","Downeyite","- O2 Se -","- O2 Se -","- O16 Se8 -","8","0.5","","McCullough, J D","The Crystal Structure of Selenium Dioxide","Journal of the American Chemical Society","1937","59","","789","794","10.1021/ja01284a004","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010995","4.348","0.005","4.348","0.005","4.348","0.005","90","","90","","90","","82.2","","","","","","","","","","","","synthetic","2","F -4 3 m","F -4 2 3","216","","Silicon carbide","Moissanite 3C","- C Si -","- C Si -","- C4 Si4 -","4","0.0416667","","Braekken, H","Zur Kristallstruktur des kubischen Karborunds","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","572","573","","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1010996","9.37","0.01","9.37","0.01","6.88","0.01","90","","90","","120","","523.1","","","","","","","","","","","","from Quebec Province, Canada","4","P 63/m","-P 6c","176","","Pentacalcium tris(phosphate) fluoride","Fluorapatite","- Ca5 F O12 P3 -","- Ca5 F O12 P3 -","- Ca10 F2 O24 P6 -","2","0.166667","","Hendricks, S B; Jefferson, M E; Mosley, V M","The Crystal Structures of Some Natural and Synthetic Apatite-Like Substances","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","81","","352","369","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1010997","10.24","0.02","10.24","0.02","7.43","0.02","90","","90","","120","","674.7","","","","","","","","","","","","from Velardena Mine, Santa Eulalia District, Chihuahua, Mexic","4","P 63/m","-P 6c","176","","Pentalead tris(arsenate) chloride","Mimetite","- As3 Cl O12 Pb5 -","- As3 Cl O12 Pb5 -","- As6 Cl2 O24 Pb10 -","2","0.166667","","Hendricks, S B; Jefferson, M E; Mosley, V M","The Crystal Structures of Some Natural and Synthetic Apatite-Like Substances","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","81","","352","369","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010998","9.05","","9.05","","9.05","","90","","90","","90","","741.2","","","","","","","","","","","","from Laacher See, Eifel, Germany and synthetic","5","P -4 3 m","P -4 2 3","215","","Sodium aluminium silicate sulfate *","Nosean","- Al6 Na8 O28 S Si6 -","- Al6 Na8 O28 S Si6 -","- Al6 Na8 O28 S Si6 -","1","0.0416667","","Barth, T F W","The Structures of the Minerals of the Sodalite Family","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","83","","405","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010999","11.668","0.019","11.668","0.019","11.668","0.019","90","","90","","90","","1588.5","","","","","","","","","","","","from Lieserschlucht, Spittal/Drau, Kaernten","5","I a -3 d","-I 4bd 2c 3","230","","Calcium iron iron(III) aluminium silicate *","Almandine calcian","- Al1.8 Ca1.5 Fe1.76 O12 Si2.94 -","- Al1.8 Ca1.5 Fe1.76 O12 Si2.94 -","- Al14.4 Ca12 Fe14.08 O96 Si23.52 -","8","0.0833333","","Heritsch, H","Roentgenographische Untersuchungen an einem Granat aus der Lieserschlucht bei Spittal a. d. Drau (Kaernten)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","85","","392","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011000","3.854","0.018","3.854","0.018","3.854","0.018","90","","90","","90","","57.2","","","","","","","","","","","","from Umptek, Kola Peninsula","6","P m -3 m","-P 4 2 3","221","","Sodium calcium niobium titanium oxide (.8/.2/.8/.2/3)","Loparite (Ce)","- Ca0.2 Ce0.3 Na0.5 Nb0.2 O3 Ti0.8 -","- Ca0.2 Ce0.3 Na0.5 Nb0.2 O3 Ti0.8 -","- Ca0.2 Ce0.3 Na0.5 Nb0.2 O3 Ti0.8 -","1","0.0208333","","Gaertner, H R von","Die Kristallstrukturen von Loparit und Pyrochlor","Neues Jahrbuch fuer Mineralogie, Geologie und Palaeontologie. Beilagen, Abt. A (1925-1942)","1930","61","","1","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011001","8.066","0.005","8.066","0.005","8.066","0.005","90","","90","","90","","524.8","","","","","","","","","","","","synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","Zinc dialuminium oxide","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Passerini, L","Ricerche sugli Spinelli.- II. I composti. Cu Al2 O4, Mg Al2 O4, Mg Fe2 O4, Zn Al2 O4, Zn Cr2 O4, Zn Fe2 O4, Mn Fe2 O4","Gazzetta Chimica Italiana","1930","60","","389","399","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011002","7.69","","7.69","","5.1","","90","","90","","90","","301.6","","","","","","","","","","","","synthetic","4","P -4 21 m","P -4 2ab","113","","Dicalcium dialuminium silicate trioxide","Gehlenite","- Al2 Ca2 O7 Si -","- Al2 Ca2 O7 Si -","- Al4 Ca4 O14 Si2 -","2","0.25","","Raaz, F","Ueber den Feinbau des Gehlenit. Ein Beitrag zur Kenntnis der Melilithe","Sitzungsberichte der Akademie der Wissenschaften in Wien, Mathematisch- Naturwissenschaftliche Klasse, Abteilung 1: Mineralogie, Biologie, Erdkunde","1930","139","","645","672","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011003","4.699","0.002","4.699","0.002","4.699","0.002","90","","90","","90","","103.8","","","","","","","","","","","","synthetic from electric arc","2","F m -3 m","-F 4 2 3","225","","Cadmium oxide","Monteponite","- Cd O -","- Cd O -","- Cd4 O4 -","4","0.0208333","","Walmsley, H P","The Structure of the Smoke Particles From a Cadmium Arc","Proceedings of the Physical Society, London","1928","40","","7","13","10.1088/0959-5309/40/1/302","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011004","8.01","","8.01","","7.88","","90","","90","","90","","505.6","","","","","","","","","","","","synthetic from solution","4","P 42/n :2","-P 4bc","86","","Sodium hexahydroxoantimonate","Mopungite","- H6 Na O6 Sb -","- H6 Na O6 Sb -","- H24 Na4 O24 Sb4 -","4","0.5","","Schrewelius, N","Roentgenuntersuchung der Verbindungen Na Sb (O H)6, Na Sb F6, Na Sb O3 und gleichartiger Stoffe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","238","","241","254","10.1002/zaac.19382380209","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011005","9.401","","9.401","","9.401","","90","","90","","90","","830.8","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Cobalt dicobalt(III) sulfide","Linnaeite","- Co3 S4 -","- Co3 S4 -","- Co24 S32 -","8","0.0416667","","Lundqvist, D; Westgren, A","Roentgenuntersuchung des Systems Co S","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","239","","85","88","10.1002/zaac.19382390110","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011006","3.849","","5.34","","6.26","","90","","90","","90","","128.7","","","","","","","","","","","","synthetic at 523 K","2","P m n n","-P 2n 2","58","","Iron telluride (1/2)","Frohbergite","- Fe Te2 -","- Fe Te2 -","- Fe2 Te4 -","2","0.25","","Tengner, S","Ueber Diselenide und Ditelluride von Eisen, Kobalt und Nickel","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","239","","126","132","10.1002/zaac.19382390203","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011007","3.575","","4.791","","5.715","","90","","90","","90","","97.9","","","","","","","","","","","","","2","P m n n","-P 2n 2","58","","Iron selenide (1/2)","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Tengner, S","Ueber Diselenide und Ditelluride von Eisen, Kobalt und Nickel","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","239","","126","132","10.1002/zaac.19382390203","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011008","7.85","0.03","7.85","0.03","7.85","0.03","97","0.33","97","0.33","97","0.33","471.9","","","","","","","","","","","","","4","R -3 c :R","-P 3* 2n","167","","Aluminium chloride hexahydrate","Chloraluminite ?","- Al Cl3 H12 O6 -","- Al Cl3 H12 O6 -","- Al2 Cl6 H24 O12 -","2","0.166667","","Andress, K R; Carpenter, C","Kristallhydrate. II.Die Struktur von Chromchlorid- und Aluminiumchloridhexahydrat.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","87","","446","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011009","4.7","","10.2","","8.72","","90","","90","","90","","418","","","","","","","","","","","","from Nicoll Quarry, Franklin, New Jersey","5","P b n m","-P 2c 2ab","62","","Trimagnesium silicate hydroxide fluoride","Norbergite","- F H Mg3 O5 Si -","- F H2 Mg3 O5 Si -","- F4 H8 Mg12 O20 Si4 -","4","0.5","","Taylor, W H; West, J","The Structure of Norbergite.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1929","70","","461","474","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011010","12.63","","7.32","","13.58","","90","","90","","90","","1255.5","","","","","","","","","","","","from Greenland","5","P n a m","-P 2c 2n","62","","Sodium beryllium hydrogen silicate *","Epididymite","- Be H Na O8 Si3 -","- Be H Na O8 Si3 -","- Be8 H8 Na8 O64 Si24 -","8","1","","Ito, T","The Structure of Epididymite (H Na Be Si3 O8)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","142","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011011","6.46","0.02","7.43","0.02","6.18","0.02","90","","90","","90","","296.6","","","","","","","","","","","","from the Phillipine Islands","3","P n m 21","P 2bc -2bc","31","","Tricopper(I) tetrathioarsenate","Enargite","- As Cu3 S4 -","- As Cu3 S4 -","- As2 Cu6 S8 -","2","0.5","","Pauling, L; Weinbaum, S","The Crystal Structure of Enargite, Cu3 As S4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","48","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011012","8.86","","5.24","","5.7","","90","","90","0","90","","264.6","","","","","","","","","","","","from Ilfeld, Harz Mts., Germany","3","B 1 21/d 1","-P 2ybc (x+1/2*z,y,1/2*z)","14","","Manganese(III) hydroxide oxide","Manganite","- H Mn O2 -","- H0.5 Mn O2 -","- H4 Mn8 O16 -","8","","","Buerger, M J","The Symmetry and Crystal Structure of Manganite, Mn (O H) O","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","163","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","208306","2020-10-21","18:00:00",""
"1011013","4.436","","5.414","","3.381","","90","","90","","90","","81.2","","","","","","","","","","","","from Joplin district, Missouri","2","P n n m","-P 2 2n","58","","Iron(II) duo-disulfide","Marcasite","- Fe S2 -","- Fe S2 -","- Fe2 S4 -","2","0.25","","Buerger, M J","Interatomic Distances in Marcasite and Notes on the Bonding in Crystals of Loellingite, Arsenopyrite, and Marcasite Types.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","97","","504","513","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011014","7.38","","8.04","","3.72","","90","","90","","90","","220.7","","","","","","","","","","","","synthetic","4","P b m n","-P 2ab 2ab","53","","Copper chloride dihydrate","Eriochalcite","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Harker, D","The Crystal Structure of Cupric Chloride Dihydrate Cu Cl2 (H2 O)2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","93","","136","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011015","5.305","","9.189","","28.5","","90","","97.147","","90","","1378.5","","","","","","","","","","","","from Philipsburg, Montana, USA","5","C 1 2/c 1","-C 2yc","15","","Dialuminium pentamagnesium trisilicate octahydroxide","Clinochlore 2M","- Al2 H8 Mg5 O18 Si3 -","- Al1.9999 H12 Mg5.0221 O18 Si3 -","- Al7.9996 H48 Mg20.0884 O72 Si12 -","4","0.5","","McMurchy, G C","The Crystal Structure of the Chlorite Minerals.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","420","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011016","7.51","0.04","9.7","0.04","3.53","0.03","90","","93.32","","90","","256.7","","","","","","","","","","","","synthetic by evaporation","4","P 1 21/n 1","-P 2yn","14","","Sodium hydrogen carbonate","Nahcolite","- C H Na O3 -","- C H Na O3 -","- C4 H4 Na4 O12 -","4","1","","Zachariasen, W. H.","The Crystal Lattice of Sodium Bicarbonate, Na H C O3","Journal of Chemical Physics","1933","1","","634","639","10.1063/1.1749342","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1011017","7.1","","9.7","","4.05","","90","","90","","90","","278.9","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Lead hydroxide chloride","Laurionite","- Cl H O Pb -","- Cl H O Pb -","- Cl4 H4 O4 Pb4 -","4","0.5","","Goldsztaub, S","Structure cristalline de la laurionite","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1937","204","","702","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011018","18.15999","","8.84","","5.19","","90","","90","","90","","833.2","","","","","","","","","","","","from Chichi-jima, Bonin Islands","4","P b c a","-P 2ac 2ab","61","","Magnesium iron silicate *","Enstatite ferroan","- Fe0.155 Mg0.845 O3 Si -","- Fe0.155 Mg0.845 O3 Si -","- Fe2.48 Mg13.52 O48 Si16 -","16","2","","Takané, Katsutashi","Crystal Structure of Bronzite from Chichi-jiama in the Bonin Islands","Proceedings of the Imperial Academy (Tokyo)","1932","8","7","308","311","10.2183/pjab1912.8.308","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011019","5.65","0.02","5.65","0.02","7.29","0.09","90","","90","","120","","201.5","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Sodium tripotassium sulfate","Aphthitalite","- K3 Na O8 S2 -","- K3 Na O8 S2 -","- K3 Na O8 S2 -","1","0.0833333","","Gossner, B","Ueber die Kristallstruktur von Glaserit und Kaliumsulfat.","Neues Jahrbuch fuer Mineralogie, Geologie und Palaeontologie. Beilage (- 1925)","1928","57","","89","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011020","4.42","","5.23","","2.87","","90","","90","","90","","66.3","","","","","","","","","","","","from Ilfeld, Harz Mts., Germany","3","P n n m","-P 2 2n","58","","Manganese(III) oxide hydroxide","Manganite","- H Mn O2 -","- H Mn O2 -","- H2 Mn2 O4 -","2","0.25","","Garrido, J","Structure cristalline de la manganite.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1935","200","","69","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011021","14.05","","14.05","","14.05","","90","","90","","90","","2773.5","","","","","","","","","","","","synthetic","5","F d -3 m :1","F 4d 2 3 -1d","227","","Dimagnesium hexasodium tetrakis(carbonate) chloride","Northupite","- C4 Cl2 Mg2 Na6 O12 -","- C4 Cl2 Mg2 Na6 O12 -","- C32 Cl16 Mg16 Na48 O96 -","8","0.0416667","","Shiba, H; Watanabe, T","Les structures des cristaux de Northupite, de Northupite bromee et de Tychite.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1931","193","","1421","1423","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1011022","14.17","","14.17","","14.17","","90","","90","","90","","2845.2","","","","","","","","","","","","artificial","5","F d -3 m :1","F 4d 2 3 -1d","227","","Dimagnesium hexasodium tetrakis(carbonate) bromide","Northupite (Br)","- C4 Br2 Mg2 Na6 O12 -","- C4 Br2 Mg2 Na6 O12 -","- C32 Br16 Mg16 Na48 O96 -","8","0.0416667","","Shiba, H; Watanabe, T","Les structures des cristaux de Northupite, de Northupite bromee et de Tychite.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1931","193","","1421","1423","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1011023","7.82","","7.82","","7.36","","90","","90","","120","","389.8","","","","","","","","","","","","","2","P 63 c m","P 6c -2","185","","Dihydrogen oxide","Ice Ih","- H2 O -","- H2 O -","- H24 O12 -","12","1","","Bernal, J D; Fowler, R H","A Theory of Water and Ionic Solution, with Particular Reference to Hydrogen and Hydroxyl Ions","Journal of Chemical Physics","1933","1","","515","548","10.1063/1.1749327","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011024","10.2","","5.87","","7.17","","90","","90","","90","","429.3","","","","","","","","","","","","","2","I b a m (a,b,c+1/4)","-I 2 2c (x,y,z-1/4)","72","","Dihydrogen oxide - Ice III","Ice III","- H2 O -","- H2 O -","- H32 O16 -","16","","","McFarlan, R L","The Structure of Ice III","Journal of Chemical Physics","1936","4","","253","259","10.1063/1.1749832","","","","","","","","","","","","","","","","","","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1011025","4.59","","4.59","","7.52","","90","","90","","120","","137.2","","","","","","","","","","","","","2","P 63 m c S","","186","","Silver iodide","Iodargyrite","- Ag I -","- Ag I -","- Ag2 I2 -","2","","","Helmholz, L","The Crystal Structure of Hexagonal Silver Iodide","Journal of Chemical Physics","1935","3","","740","747","10.1063/1.1749584","","","","","","","","","","","","","","","","","","","","","has coordinates","120071","2020-10-21","18:00:00",""
"1011026","3.87","","12.51","","3.06","","90","","90","","90","","148.1","","","","","","","","","","","","from Eiserfeld, Westerwald, Germany","3","A m a m","-A 2 2a","63","","Iron(III) oxide hydroxide","Lepidocrocite","- Fe H O2 -","- Fe H2 O2 -","- Fe4 H8 O8 -","4","0.25","","Ewing, F J","The Crystal Structure of Lepidocrocite","Journal of Chemical Physics","1935","3","","420","424","10.1063/1.1749692","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1011027","4.4","","9.39","","2.84","","90","","90","","90","","117.3","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Aluminium oxide hydroxide","Diaspore","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.5","","Ewing, F J","The Crystal Structure of Diaspore","Journal of Chemical Physics","1935","3","","203","207","10.1063/1.1749634","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011028","4","0.003","4.211","0.002","3.875","0.002","90","","90","","90","","65.3","","","","","","","","","","","","synthetic at 1473 K for 2 h","3","P m m m","-P 2 2","47","","Lead titanate","Macedonite","- O3 Pb Ti -","- O3 Pb Ti -","- O3 Pb Ti -","1","0.125","","Cole, S S; Espenschied, H","Lead titanate: crystal structure, temperature of formation, and specific gravity data","Journal of Physical Chemistry","1937","41","","445","451","10.1021/j150381a009","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011029","6.32","","6.32","","6.32","","47.25","","47.25","","47.25","","124.5","","","","","","","","","","","","synthetic","3","R -3 c :R","-P 3* 2n","167","","Sodium nitrate","Nitratine","- N Na O3 -","- N Na O3 -","- N2 Na2 O6 -","2","0.166667","","Elliott, N","A Redetermination of the Carbon - Oxygen Distance in Calcite and the Nitrogen - Oxygen Distance in Sodium Nitrate","Journal of the American Chemical Society","1937","59","","1380","1382","10.1021/ja01286a065","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011030","8.299","0.003","8.299","0.003","8.299","0.003","90","","90","","90","","571.6","","","","","","","","","","","","synthetic in KCl flux at 1273 K","3","F d -3 m :1","F 4d 2 3 -1d","227","","Nickel dichromium oxide","Nichromite","- Cr2 Ni O4 -","- Cr2 Ni O4 -","- Cr16 Ni8 O32 -","8","0.0416667","","Thomassen, L","An X-Ray Investigation of the System Cr2 O3 - Ni O","Journal of the American Chemical Society","1940","62","","1134","1136","10.1021/ja01862a037","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011031","4.358","","4.358","","4.358","","90","","90","","90","","82.8","","","","","","","","","","","","synthetic","2","F -4 3 m","F -4 2 3","216","","Silicon carbide","Moissanite 3C","- C Si -","- C Si -","- C4 Si4 -","4","0.0416667","","Burdick, C L; Owen, E A","The Atomic Structure of Carborundum Determined by X-Rays","Journal of the American Chemical Society","1918","40","","1749","1759","10.1021/ja02245a001","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1011032","8.32","","8.32","","8.32","","90","","90","","90","","575.9","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Iron diiron(III) oxide","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Bragg, W. H.","The Structure of Magnetite and the Spinels","Nature (London)","1915","95","","561","561","10.1038/095561a0","","","","","","","","","","","","","","","","","","","","","has coordinates","208346","2020-10-21","18:00:00",""
"1011033","5.52","","5.52","","5.52","","54.83","","54.83","","54.83","","104.6","","","","","","","","","","","","from Quincy, Massachusetts, U S A","3","R -3 :R","-P 3*","148","","Iron titanate","Ilmenite","- Fe O3 Ti -","- Fe O3 Ti -","- Fe2 O6 Ti2 -","2","0.333333","","Barth, T F W; Posnjak, E","The Crystal Structure of Ilmenite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","265","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011034","11.95","","11.95","","11.95","","90","","90","","90","","1706.5","","","","","","","","","","","","synthetic at 1743 K","3","I -4 3 d","I -4bd 2c 3","220","","Calcium aluminium oxide (12/14/33)","Mayenite","- Al14 Ca12 O33 -","- Al14 Ca12 O40 -","- Al28 Ca24 O80 -","2","0.0416667","","Buessem, W; Eitel, A","Die Struktur des Pentacalciumtrialuminats","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","175","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011035","12.98","0.03","12.98","0.03","13.68","0.03","90","","90","","90","","2304.8","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","Potassium aluminium catena-disilicate","Leucite low","- Al K O6 Si2 -","- Al K O1.5 Si2 -","- Al16 K16 O24 Si32 -","16","1","","Wyart, M J","Etude cristallographique d'une leucite artificielle. Structure atomique et symetrie du mineral","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1940","63","","5","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011036","3.61","","3.61","","5.028","","90","","90","","120","","56.7","","","","","","","","","","","","from Eisleben, Germany","2","P 63/m m c","-P 6c 2c","194","","Nickel arsenide (1/1)","Nickeline","- As Ni -","- As Ni -","- As2 Ni2 -","2","0.0833333","","Alsen, N","Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen","Geologiska Foereningens i Stockholm Foerhandlingar","1925","47","","19","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011037","3.377","","3.377","","5.15","","90","","90","","120","","50.9","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Cobalt sulfide","Jaipurite","- Co S -","- Co S -","- Co2 S2 -","2","0.0833333","","Alsen, N","Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen","Geologiska Foereningens i Stockholm Foerhandlingar","1925","47","","19","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011038","5.64","","5.64","","5.64","","116.6","","116.6","","116.6","","84","","","","","","","","","","","","from Wissen, river Sieg, Germany","2","R 3 m :R","P 3* -2","160","","Nickel sulfide","Millerite","- Ni S -","- Ni S -","- Ni3 S3 -","3","0.5","","Alsen, N","Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen","Geologiska Foereningens i Stockholm Foerhandlingar","1925","47","","19","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011039","6.403","0.05","6.162","0.03","3.687","0.03","90","","90","","90","","145.5","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Tricopper tetrathioarsenate","Enargite","- As Cu3 S4 -","- As Cu3 S4 -","- As Cu3 S4 -","1","0.125","","Takané, Katsutashi","Crystal Structure of Enargite (Cu~3~AsS~4~)","Proceedings of the Imperial Academy (Tokyo)","1933","9","9","524","527","10.2183/pjab1912.9.524","","","","","","","","","","","","","","","","","","","","","has coordinates","176254","2020-10-21","18:00:00",""
"1011040","6.53","0.01","8.46","0.01","7","0.02","90","","115.22","","90","","349.8","","","","","","","","","","","","from Durango, Mexico","5","C 1 2/c 1","-C 2yc","15","","Aluminium sodium arsenate fluoride","Durangite","- Al As F Na O4 -","- Al As F Na O4 -","- Al4 As4 F4 Na4 O16 -","4","0.5","","Kokkoros, P.","Ueber die Struktur des Durangit NaAlF(AsO~4~)","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","38","49","10.1524/zkri.1938.99.1.38","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011041","11.986","","9.57","","9.95","","90","","85","","90","","1137","","","","","","","","","","","","containing) - synthetic from solution","5","C 1 2/m 1","-C 2y","12","","Dipotassium manganese sulfate tetrahydrate","Leonite (Mn)","- H8 K2 Mn O12 S2 -","- H8 K2 Mn O12 S2 -","- H32 K8 Mn4 O48 S8 -","4","0.5","","Anspach, H","Die Struktur des Mn-Leonit","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","101","","39","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011042","6.02","","5.93","","6.02","","90","","67.87","","90","","199.1","","","","","","","","","","","","from Gudmundstorp, Sweden","3","P 1 21/c 1","-P 2ybc","14","","Iron antimony sulfide (1/1/1)","Gudmundite","- Fe S Sb -","- Fe S Sb -","- Fe4 S4 Sb4 -","4","1","","Buerger, M J","The Crystal Structure of Gudmundite (Fe Sb S) and its Bearing on the Existence Field of the Arsenopyrite Structural Type","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","101","","290","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011043","3.92","0.04","13.94","0.1","3.66","0.02","90","","90","","90","","200","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","Molybdenum oxide","Molybdite","- Mo O3 -","- Mo O3 -","- Mo4 O12 -","4","0.5","","Wooster, N","The crystal structure of Molybdenum Trioxide Mo O3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","80","","504","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1011044","9.37","0.01","9.37","0.01","6.88","0.01","90","","90","","120","","523.1","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Calcium fluoride tris(phosphate)","Fluorapatite","- Ca5 F O12 P3 -","- Ca5 F O12 P3 -","- Ca10 F2 O24 P6 -","2","0.166667","","Naray-Szabo, S","The structure of apatite (Ca F) Ca4 (P O4)3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","387","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011045","5.148","","8.92","","14.535","","90","","100.2","","90","","656.9","","","","","","","","","","","","from Brooklyn, New York","4","C 1 c 1","C -2yc","9","","Aluminium silicate hydroxide *","Kaolinite 2M","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al8 H16 O36 Si8 -","4","1","","Gruner, W J","The Crystal Structure of Kaolinite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","83","","75","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011046","4.09","0.01","4.09","0.01","7.21","0.02","90","","90","","90","","120.6","","","","","","","","","","","","synthetic","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Lead chloride fluoride","Matlockite","- Cl F Pb -","- Cl F Pb -","- Cl2 F2 Pb2 -","2","0.125","","Nieuwenkamp, W; Bijvoet, J M","Die Kristallstruktur von Bleifluochlorid Pb F Cl","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","81","","469","473","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011047","9.71","","8.89","","5.24","","90","","74.17","","90","","435.2","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Calcium magnesium catena-silicate","Diopside","- Ca Mg O6 Si2 -","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","4","0.5","","Warren, B E; Biscoe, J","The Crystal Structure of monoclinic pyroxenes","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","80","","391","401","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011048","8.75","","8.01","","7.72","","90","","90","","90","","541.1","","","","","","","","","","","","from Norway","4","P b n m","-P 2c 2ab","62","","Calcium borosilicate *","Danburite","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Dunbar, C; Machatschki, F","The Structure of Danburite, Ca B2 Si2 O8","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","76","","133","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011049","5.18","","9.02","","20.03999","","90","","95.5","","90","","932","","","","","","","","","","","","from Hundholmen, Nordland, Norway","5","C 1 2/c 1","-C 2yc","15","","Potassium aluminium silicate hydroxide *","Muscovite 2M1","- Al3 H2 K O12 Si3 -","- Al3 H3 K O12 Si3 -","- Al12 H12 K4 O48 Si12 -","4","0.5","","Jackson, W. W.; West, J.","The crystal structure of Muscovite - KAl~2~(AlSi~3~)O~10~(OH)~2~","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1931","76","","211","227","10.1524/zkri.1931.76.1.211","","","","","","","","","","","","","","","","","","","","","has coordinates","278160","2022-09-26","15:28:35",""
"1011050","4.58","","4.58","","7.51","","90","","90","","120","","136.4","","","","","","","","","","","","synthetic","2","P 63 m c","P 6c -2c","186","","Silver iodine","Iodargyrite","- Ag I -","- Ag I -","- Ag2 I2 -","2","0.166667","","Aminoff, G","Ueber die Kristallstruktur von Ag I.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1922","57","","180","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011051","4.73","","4.73","","4.73","","90","","90","","90","","105.8","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Cadmium oxide","Monteponite","- Cd O -","- Cd O -","- Cd4 O4 -","4","0.0208333","","Scherrer, P","Das Raumgitter des Kadmiumoxyds.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1922","57","","186","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011052","3.57","","3.57","","5.1","","90","","90","","120","","56.3","","","","","","","","","","","","from Eisleben, Germany","2","P 63/m m c","-P 6c 2c","194","","Nickel arsenide (1/1)","Nickeline","- As Ni -","- As Ni -","- As2 Ni2 -","2","0.0833333","","Aminoff, G","Untersuchungen ueber die Kristallstrukturen von Wurtzit und Rotnickelkies.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1923","58","","203","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011053","3.095","","3.095","","15.17","","90","","90","","120","","125.8","","","","","","","","","","","","","2","P 63","P 6c","173","","Silicon carbide - II.","Moissanite 6H","- C Si -","- C Si -","- C6 Si6 -","6","1","","Ott, H","Die Gitterstruktur des Karborunds ( Si C ) I.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1925","61","","515","531","","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1011054","4.15","","4.15","","6.737","","90","","90","","120","","100.5","","","","","","","","","","","","synthetic","2","P 63 m c","P 6c -2c","186","","Cadmium sulfide - α","Greenockite","- Cd S -","- Cd S -","- Cd2 S2 -","2","0.166667","","Ulrich, F.; Zachariasen, W.","XIV. Über die Kristallstruktur des α- und β-CdS, sowie des Wurtzits","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1925","62","1-6","260","273","10.1524/zkri.1925.62.1.260","","","","","","","","","","","","","","","","","","","","","has coordinates","200075","2020-10-21","18:00:00",""
"1011055","11.82","0.06","11.82","0.06","11.82","0.06","90","","90","","90","","1651.4","","","","","","","","","","","","from Xalostoc, Mexico","4","I a -3 d","-I 4bd 2c 3","230","","Tricalcium dialuminium silicate","Grossular","- Al2 Ca3 O12 Si3 -","- Al2 Ca3 O12 Si3 -","- Al16 Ca24 O96 Si24 -","8","0.0833333","","Menzer, G","Die Kristallstruktur von Granat.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","63","","157","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011056","9.416","0.007","9.416","0.007","9.416","0.007","90","","90","","90","","834.8","","","","","","","","","","","","from Schwabengrube, Muesen, Germany","2","F d -3 m :1","F 4d 2 3 -1d","227","","Cobalt dicobalt(III) sulfide","Linnaeite","- Co3 S4 -","- Co3 S4 -","- Co24 S32 -","8","0.0416667","","Menzer, G","Ueber die Kristallstruktur von Linneit einschliesslich Polydymit und Sychnodymit.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","64","","506","507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011057","9.71","","8.89","","5.24","","90","","74.16","","90","","435.2","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Calcium magnesium catena-silicate","Diopside","- Ca Mg O6 Si2 -","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","4","0.5","","Warren, B; Bragg, W L","The structure of diopside, Ca Mg (Si O3)2.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1928","69","","168","193","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1011058","4.09","","4.09","","7.21","","90","","90","","90","","120.6","","","","","","","","","","","","from Cromford, Derbyshire, England","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Lead fluoride chloride","Matlockite","- Cl F Pb -","- Cl F Pb -","- Cl2 F2 Pb2 -","2","0.125","","Bannister, F. A.; Hey, M. H.","The crystal-structure and optical properties of matlockite (PbFCl) Locality: Matlock, Derbyshire, England","Mineralogical Magazine","1934","23","","587","597","10.1180/minmag.1934.023.146.02","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011059","10","","10","","6.65","","90","","90","","90","","665","","","","","","","","","","","","artificial","5","P -4 21 m","P -4 2ab","113","","Thallium tecto-20-oxotetraalumohexasilicate pentahydrate","Edingtonite (Tl)","- Al4 H10 O25 Si6 Tl4 -","- Al4 H5 O21.25 Si6 Tl4.0002 -","- Al4 H5 O21.25 Si6 Tl4.0002 -","1","0.125","","Taylor, W H","An X-ray examination of substituted Edingtonites.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1935","24","","208","240","10.1180/minmag.1935.024.151.03","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011061","6.623","","6.623","","11.18","","90","","90","","90","","490.4","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Mercury(I) bromide","Kuzminite","- Br2 Hg2 -","- Br2 Hg2 -","- Br4 Hg4 -","2","0.0625","","Hylleraas, E","Die Anordnung der Atome in den tetragonalen Kristallen der einwertigen Quecksilberhalogenide Hg2 Cl2, Hg2 Br2, Hg2 J2. Berechnung der optischen Doppelbrechung von Hg2 Cl2.","Zeitschrift fuer Physik","1926","36","","859","896","10.1007/BF01400219","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011062","8.94","0.02","5.14","0.02","43","0.2","90","","90.33","0.17","90","","1975.9","","","","","","","","","","","","from St. Peters Dome, Pike's peak, Colorado, USA","4","C 1 c 1","C -2yc","9","","Dialuminium phyllo-disilicate tetrahydroxide","Nacrite 6M","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al24 H48 O108 Si24 -","12","3","","Hendricks, S B","The Crystal Structure of Nacrite Al2 O3 * 2Si O2 * 2H2 O and the Polymorphism of the Kaolin Minerals.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","100","","509","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011063","7.8","","4.5","","5.56","","90","","90","","90","","195.2","","","","","","","","","","","","synthetic","2","C 2 2 21","C 2c 2","20","","Dihydrogen oxide - ice II","Ice II ?","- H2 O -","- H2 O -","- H16 O8 -","8","1","","McFarlan, Ronald L.","The Structure of Ice II","The Journal of Chemical Physics","1936","4","1","60","64","10.1063/1.1749748","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011064","3.906","0.02","3.906","","3.906","","90","","90","","90","","59.6","","","","","","","","","","","","synthetic in molten Na2CO3","3","P m -3 m","-P 4 2 3","221","","Sodium niobate","Lueshite","- Na Nb O3 -","- Na Nb O3 -","- Na Nb O3 -","1","0.0208333","","Barth, T","Die Kristallstruktur von Perowskit und verwandter Verbindungen","Norsk Geologisk Tidsskrift","1925","8","","201","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011065","7.45","","7.45","","7.88","","90","","90","","90","","437.4","","","","","","","","","","","","synthetic","5","P 42/m n m","-P 4n 2n","136","","Potassium tetrachlorocuprate dihydrate","Mitscherlichite","- Cl4 Cu H4 K2 O2 -","- Cl4 Cu H4 K2 O2 -","- Cl8 Cu2 H8 K4 O4 -","2","0.125","","Hendricks, S B; Dickinson, R G","The Crystal Structure of ammonium, potassium and rubidium cupric chloride dihydrates","Journal of the American Chemical Society","1927","49","","2149","2162","10.1021/ja01408a005","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011066","5.46","0.03","5.46","0.03","5.46","0.03","53.82","0.13","53.82","0.13","53.82","0.13","98.5","","","","","","","","","","","","synthetic","2","R -3 c :R","-P 3* 2n","167","","Vanadium(III) oxide","Karelianite","- O3 V2 -","- O3 V2 -","- O6 V4 -","2","0.166667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO3","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011067","5.35","0.03","5.35","0.03","5.35","0.03","55","0.03","55","0.03","55","0.03","95.7","","","","","","","","","","","","synthetic","2","R -3 c :R","-P 3* 2n","167","","Chromium oxide","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr4 O6 -","2","0.166667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO3","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011068","8.09","0.02","8.09","0.02","8.09","0.02","90","","90","","90","","529.5","","","","","","","","","","","","synthetic","4","P a -3","-P 2ac 2ab 3","205","","Dipotassium sodium hexafluoroaluminate","Elpasolite","- Al F6 K2 Na -","- Al F6 K2 Na -","- Al4 F24 K8 Na4 -","4","0.166667","","Menzer, G","Ueber die Kristallstrukturen der Kryolithgruppe","Fortschritte der Mineralogie","1932","17","","61","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011069","4.47","","4.47","","10.89","","90","","90","","90","","217.6","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Mercury(I) chloride","Calomel","- Cl2 Hg2 -","- Cl2 Hg2 -","- Cl4 Hg4 -","2","0.0625","","Havighurst, R J","Crystal structure of the mercurous halides","American Journal of Science, Serie 5(1,1921-1938)","1925","10","","15","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011070","4.66","","4.66","","11.12","","90","","90","","90","","241.5","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Mercury(I) bromide","Kuzminite","- Br2 Hg2 -","- Br2 Hg2 -","- Br4 Hg4 -","2","0.0625","","Havighurst, R J","Crystal structure of the mercurous halides","American Journal of Science, Serie 5(1,1921-1938)","1925","10","","15","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011071","10.272","0.004","10.272","0.004","10.272","0.004","90","","90","","90","","1083.8","","","","","","","","","","","","from Schneeberg, Saxony","3","I -4 3 d","I -4bd 2c 3","220","","Tetrabismuth tris(silicate)","Eulytine","- Bi4 O12 Si3 -","- Bi4 O12 Si3 -","- Bi16 O48 Si12 -","4","0.0833333","","Menzer, G","Die Kristallstruktur von Eulytin","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","78","","136","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011072","4.62","","14.24","","4.75","","90","","79.73","","90","","307.5","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Beryllium aluminium silicate hydroxide","Euclase","- Al Be H O5 Si -","- Al Be H0.5 O5 Si -","- Al4 Be4 H2 O20 Si4 -","4","1","","Biscoe, J; Warren, B E","The structure of Euclase H Be Al Si O5","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","86","","292","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011073","3.954","0.005","13.825","0.005","3.694","0.005","90","","90","","90","","201.9","","","","","","","","","","","","synthetic","2","P b n m","-P 2c 2ab","62","","Molybdenum trioxide","Molybdite","- Mo O3 -","- Mo O3 -","- Mo4 O12 -","4","0.5","","Braekken, H","Die Kristallstrukturen der Trioxide von Chrom, Molybdaen und Wolfram","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","78","","484","489","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011074","10.47","","15.15","","6.28","","90","","98.97","","90","","984","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Calcium sulfate dihydrate","Gypsum","- Ca H4 O6 S -","- Ca H4 O6 S -","- Ca4 H16 O24 S4 -","4","0.5","","Onorato, E","Ueber den Feinbau des Gipses","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1929","71","","277","325","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011075","4.92","","4.92","","11.64","","90","","90","","90","","281.8","","","","","","","","","","","","synthetic","2","I -4 m 2","I -4 -2","119","","Dimercury(I) iodide","Moschelite","- Hg2 I2 -","- Hg2 I2 -","- Hg4 I4 -","2","0.125","","Huggins, M L; Magill, P L","The crystal stuctures of mercuric and mercurous iodides","Journal of the American Chemical Society","1927","49","","2357","2367","10.1021/ja01409a003","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011076","4.47","","4.47","","10.89","","90","","90","","90","","217.6","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Mercury(I) chloride","Calomel","- Cl2 Hg2 -","- Cl2 Hg2 -","- Cl4 Hg4 -","2","0.0625","","Havighurst, R J","Parameters in crystal structure. The mercurous halides","Journal of the American Chemical Society","1926","48","","2113","2130","10.1021/ja01419a016","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011077","4.66","","4.66","","11.12","","90","","90","","90","","241.5","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Mercury(I) bromide","Kuzminite","- Br2 Hg2 -","- Br2 Hg2 -","- Br4 Hg4 -","2","0.125","","Havighurst, R J","Parameters in crystal structure. The mercurouos halides","Journal of the American Chemical Society","1926","48","","2113","2131","10.1021/ja01419a016","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011078","4.92","","4.92","","11.61","","90","","90","","90","","281","","","","","","","","","","","","synthetic","2","P 42/m n m","-P 4n 2n","136","","Mercury(I) iodide","Moschelite","- Hg2 I2 -","- Hg2 I2 -","- Hg4 I4 -","2","0.125","","Havighurst, R J","Parameters in crystal structure. The mercurous halides","Journal of the American Chemical Society","1926","48","","2113","2125","10.1021/ja01419a016","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011079","4.928","","5.438","","5.732","","90","","90","","90","","153.6","","","","","","","","","","","","","3","P n m m :1","P 2bc 2 -1bc","59","","Ammonium nitrate - phase IV","Nitrammite","- H4 N2 O3 -","- H4 N2 O3 -","- H8 N4 O6 -","2","0.25","","West, C. D.","The crystal structure of rhombic ammonium nitrate","Journal of the American Chemical Society","1932","54","6","2256","2260","10.1021/ja01345a013","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011080","5.16","0.02","8.93","0.02","28.65999","0.04","90","","91.72","0.25","90","","1320","","","","","","","","","","","","from Brand,Saxony","4","C 1 c 1","C -2yc","9","","Dialuminium phyllo-disilicate tetrahydroxide *","Nacrite 4M","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al16 H32 O72 Si16 -","8","2","","Gruner, J W","The crystal structure of Nacrite and a comparison of certain optical properties of the caolin group with its structures","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","85","","345","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011081","8.641","0.001","5.07","0.001","9.72","0.004","90","","85.43","0.08","90","","424.5","","","","","","","","","","","","from Langesundsfjord, Brevig, Norway","3","P 1 21/n 1","-P 2yn","14","","Aluminium hydroxide","Gibbsite","- Al H3 O3 -","- Al H3 O3 -","- Al8 H24 O24 -","8","2","","Megaw, H D","The crystal structure of Hydrargillite Al (O H)3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","87","","185","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011082","5.877","","5.877","","23.01999","","90","","90","","120","","688.6","","","","","","","","","","","","synthetic at 1273 K for 1d and natural","3","P 63/m m c","-P 6c 2c","194","","Lead dodecairon(III) oxide","Magnetoplumbite 5H","- Fe12 O19 Pb -","- Fe12 O19 Pb -","- Fe24 O38 Pb2 -","2","0.0833333","","Adelsköld, V.","X-ray studies on Magneto Plumbite PbO · 6Fe~2~O~3~ and other substances resembling β-alumina Na~2~O · 11Al~2~O~3~","Arkiv för Kemi, Mineralogi och Geologi, A","1938","12","2","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","200142","2020-10-21","18:00:00",""
"1011083","7.1","","9.7","","4.05","","90","","90","","90","","278.9","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Lead chloride hydroxide","Laurionite","- Cl H O Pb -","- Cl H O Pb -","- Cl4 H4 O4 Pb4 -","4","0.5","","Brasseur, H","Etude roentgenographique de la laurionite Pb Cl (O H)","Bulletin de la Societe Royal des Sciences de Liege","1940","9","","166","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011084","8.4","","8.4","","8.4","","90","","90","","90","","592.7","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Iron diiron(III) oxide","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Claassen, A A","The scattering power of oxygen and iron for X-Rays","Proceedings of the Physical Society, London","1926","38","","482","487","10.1088/1478-7814/38/1/348","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011085","12.98","","12.98","","13.68","","90","","90","","90","","2304.8","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","Potassium aluminium catena-disilicate *","Leucite low","- Al K O6 Si2 -","- Al K O1.5 Si2 -","- Al16 K16 O24 Si32 -","16","1","","Wyart, M J","Etude cristallographique d'une leucite artificielle. Structure atomique et symetrie du mineral","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1940","63","","5","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011086","13.43","","13.43","","13.43","","90","","90","","90","","2422.3","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Potassium aluminium catena-disilicate *","Leucite high","- Al K O6 Si2 -","- Al0.9999 K O6 Si2.0001 -","- Al15.9984 K16 O96 Si32.0016 -","16","0.166667","","Wyart, M J","Etude cristallographique d'une leucite artificielle. Structure atomique et symetrie du mineral","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1940","63","","5","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011087","4.64","","10","","3.03","","90","","90","","90","","140.6","","","","","","","","","","","","from Restormel mine, Lanlivery, Cornwall","3","P b n m","-P 2c 2ab","62","","Iron(III) oxide hydroxide","Goethite","- Fe H O2 -","- Fe H2 O2 -","- Fe4 H8 O8 -","4","0.5","","Goldsztaub, M S","Etude de quelques derives de l'oxyde ferrique (Fe O * O H, Fe O2 Na, Fe O Cl) determination de leurs structures.","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1935","58","","6","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011088","3.87","","12.4","","3.06","","90","","90","","90","","146.8","","","","","","","","","","","","from Siegen","3","A m a m","-A 2 2a","63","","Iron(III) oxide hydroxide","Lepidocrocite","- Fe H O2 -","- Fe H2 O2 -","- Fe4 H8 O8 -","4","0.25","","Goldsztaub, M S","Etude de quelques derives de l'oxyde ferrique (Fe O.OH, FeO2Na, FeOCl) determination de leurs structures.","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1935","58","","6","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011089","4.711","","10.374","","6.038","","90","","90","","90","","295.1","","","","","","","","","","","","from Varutrask, Sweden","4","P b n m","-P 2c 2ab","62","","Lithium manganese phosphate","Lithiophilite","- Li Mn O4 P -","- Li Mn O4 P -","- Li4 Mn4 O16 P4 -","4","0.5","","Bjoerling, C O; Westgren, A","Minerals of the Varutrask pegmatite. IX. X-ray studies on triphylite, varulite, and their oxidation products","Geologiska Foereningens i Stockholm Foerhandlingar","1938","60","","67","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011090","4.787","","10.086","","5.939","","90","","90","","90","","286.7","","","","","","","","","","","","from Varutrask, N. Sweden","4","P b n m","-P 2c 2ab","62","","Lithium iron(III) phosphate","Ferrisicklerite","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","Bjoerling, C O; Westgren, A","Minerals of the Varutrask pegmatite. IX. X-ray studies on triphylite, varulite, and their oxidation products","Geologiska Foereningens i Stockholm Foerhandlingar","1938","60","","67","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011091","16.50999","0.03","8.8","0.03","4.45","0.03","90","","90","","90","","646.5","","","","","","","","","","","","from Cripple Creek, Colorado","2","P m a 2","P 2 -2a","28","","Gold(IV) telluride","Krennerite","- Au Te2 -","- Au Te2 -","- Au8 Te16 -","8","2","","Tunell, G; Ksanda, C J","The crystal structure of Krennerite","Journal of the Washington Academy of Sciences","1936","26","","507","527","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011092","2.99","0.005","5.225","0.005","4.82","0.005","90","","90","","90","","75.3","","","","","","","","","","","","from Andreasberg, Harz, Germany","2","P m 2 m","P -2 -2","25","","Antimony silver (1:3)","Dyscrasite","- Ag3 Sb -","- Ag3 Sb -","- Ag3 Sb -","1","0.25","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011093","4.95","","4.95","","16.5","","90","","90","","120","","350.1","","","","","","","","","","","","synthetic","4","P -3","-P 3","147","","Disodium magnesium carbonate","Eitelite","- C2 Mg Na2 O6 -","- C1.83333 Mg Na2 O6 -","- C11 Mg6 Na12 O36 -","6","1","","Eitel, W; Skaliks, W","Ueber einige Doppelcarbonate der Alkalien und Erdalkalien","Zeitschrift fuer Anorganische und Allgemeine Chemie","1929","183","","263","286","10.1002/zaac.19291830119","","","","","","","","","","","","","","","","","","","","","has coordinates","202122","2020-10-21","18:00:00",""
"1011094","4.812","0.005","4.812","","4.812","","90","","90","","90","","111.4","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Calcium oxide","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Oftedal, I","Die Gitterkonstanten von Ca O, Ca S, Ca Se, Ca Te.","Zeitschrift fuer Physikalische Chemie (Leipzig)","1927","128","","135","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011095","4.805","0.005","4.805","0.005","4.805","0.005","90","","90","","90","","110.9","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Calcium oxide","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Natta, G; Passerini, L","Soluzioni solide, isomorfismo e simmorfismo tra gli ossidi dei metalli bivalenti. - 1. Sistemi: CaO-CdO, CaO-MnO, CaO-CoO, CaO-NiO, CaO-MgO.","Gazzetta Chimica Italiana","1929","59","","129","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011096","4.725","0.005","4.725","0.005","4.725","0.005","90","","90","","90","","105.5","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Cadmium oxide","Monteponite","- Cd O -","- Cd O -","- Cd4 O4 -","4","0.0208333","","Natta, G; Passerini, L","Soluzioni solide, isomorfismo e simmorfismo tra gli ossidi dei metalli bivalenti. - 1. Sistemi: CaO-CdO, CaO-MnO, CaO-CoO, CaO-NiO, CaO-MgO.","Gazzetta Chimica Italiana","1929","59","","129","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011097","4.913","","4.913","","5.404","","90","","90","","120","","113","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","Silicon oxide $-alpha","Quartz low","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Wei, P. H.","Die Bindung im Quarz","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","355","362","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1011098","4.454","","4.454","","5.924","","90","","90","","120","","101.8","","","","","","","","","","","","synthetic","1","P 31 2 1","P 31 2""","152","Tellurium","Tellurium","Tellurium","- Te -","- Te -","- Te3 -","3","0.5","","Bradley, A J","The crystal structure of tellurium","Philosophical Magazine, Serie 6 (1901-1925)","1924","48","","477","496","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1011099","4.244","","4.244","","4.244","","90","","90","","90","","76.4","","","","","","","","","","","","synthetic at 3273 K","2","F m -3 m","-F 4 2 3","225","","Titanium(III) nitride","Osbornite","- N Ti -","- N Ti -","- N4 Ti4 -","4","0.0208333","","Brager, A","An X-ray examination of titanium nitride III","Acta Physicochimica (USSR)","1939","9","","617","632","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011100","4.22","","4.22","","4.22","","90","","90","","90","","75.2","","","","","","","","","","","","synthetic at 1073 K","2","F m -3 m","-F 4 2 3","225","","Titanium(III) nitride","Osbornite","- N0.88 Ti0.88 -","- N0.88 Ti0.88 -","- N3.52 Ti3.52 -","4","0.0208333","","Brager, A","An X-ray examination of titanium nitride. I","Acta Physicochimica (USSR)","1939","10","","593","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011101","4.32","","4.32","","4.32","","90","","90","","90","","80.6","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Titanium(III) nitride","Osbornite","- N Ti -","- N Ti -","- N4 Ti4 -","4","0.0208333","","van Arkel, A E","An X-ray examination of titanium nitride. I","Physica (Amsterdam) (1,1921-13,1933)","1924","4","","286","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011102","4.225","","4.225","","4.225","","90","","90","","90","","75.4","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Titanium(III) nitride","Osbornite","- N Ti -","- N Ti -","- N4 Ti4 -","4","0.0208333","","Hofmann, W; Schrader, A","Titancarbid in grauem Gusseisen","Archiv fuer das Eisenhuettenwesen","1936","10","","65","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011103","3.944","0.004","3.944","0.004","3.944","0.004","90","","90","","90","","61.3","","","","","","","","","","","","loaded) - synthetic by sputtering in H2","1","F m -3 m","-F 4 2 3","225","Platinum","Platinum","Platinum","- Pt -","- Pt -","- Pt4 -","4","0.0208333","","Bredig, G; Allolio, R","Roentgenuntersuchungen an katalytisch wirkenden Metallen","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1927","126","","41","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011104","3.991","0.002","3.991","0.002","3.991","0.002","90","","90","","90","","63.6","","","","","","","","","","","","loaded) - synthetic by sputtering in H2","1","F m -3 m","-F 4 2 3","225","Palladium","Palladium","Palladium","- Pd -","- Pd -","- Pd4 -","4","0.0208333","","Bredig, G; Allolio, R","Roentgenuntersuchungen an katalytisch wirkenden Metallen","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1927","126","","41","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011105","3.879","0.004","3.879","0.004","3.879","0.004","90","","90","","90","","58.4","","","","","","","","","","","","synthetic by sputtering in O2, reduced in H2","1","F m -3 m","-F 4 2 3","225","Palladium","Palladium","Palladium","- Pd -","- Pd -","- Pd4 -","4","0.0208333","","Bredig, G; Allolio, R","Roegenuntersuchungen an katalytisch wirkenden Metallen","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1927","126","","41","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011106","3.881","0.002","3.881","0.002","3.881","0.002","90","","90","","90","","58.5","","","","","","","","","","","","synthetic","1","F m -3 m","-F 4 2 3","225","Palladium","Palladium","Palladium","- Pd -","- Pd -","- Pd4 -","4","0.0208333","","Barth, T; Lunde, G","Die Gitterkonstanten des Platinmetalle, Silber und Gold","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1926","121","","78","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011107","3.911","","3.911","","3.911","","90","","90","","90","","59.8","","","","","","","","","","","","synthetic","1","F m -3 m","-F 4 2 3","225","Platinum","Platinum","Platinum","- Pt -","- Pt -","- Pt4 -","4","0.0208333","","Barth, T; Lunde, G","Die Gitterkonstanten des Platinmetalle, Silber und Gold","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1926","121","","78","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011108","3.958","","3.958","","3.958","","90","","90","","90","","62","","","","","","","","","","","","loaded) - synthetic","1","F m -3 m","-F 4 2 3","225","Palladium","Palladium","Palladium","- Pd -","- Pd -","- Pd4 -","4","0.0208333","","Hull, A W","X-ray crystal analysis of 13 common metals","Physical Review (1,1893-132,1963/141,1966-188,1969)","1921","17","","571","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011109","3.938","","3.938","","3.938","","90","","90","","90","","61.1","","","","","","","","","","","","loaded) - synthetic","1","F m -3 m","-F 4 2 3","225","Platinum","Platinum","Platinum","- Pt -","- Pt -","- Pt4 -","4","0.0208333","","Hull, A W","Crystal structures of common elements","Physical Review (1,1893-132,1963/141,1966-188,1969)","1921","17","","571","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011110","3.908","","3.908","","3.908","","90","","90","","90","","59.7","","","","","","","","","","","","synthetic","1","F m -3 m","-F 4 2 3","225","Palladium","Palladium","Palladium","- Pd -","- Pd -","- Pd4 -","4","0.0208333","","McKeehan, L W","Crystal structures in the system Pd-H2","Physical Review (1,1893-132,1963/141,1966-188,1969)","1923","21","","334","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011111","4.028","","4.028","","4.028","","90","","90","","90","","65.4","","","","","","","","","","","","loaded) - synthetic, sputtered","1","F m -3 m","-F 4 2 3","225","Platinum","Platinum","Platinum","- Pt -","- Pt -","- Pt4 -","4","0.0208333","","Kahler, H","The crystalline structures of sputtered and evaporated metallic films","Physical Review (1,1893-132,1963/141,1966-188,1969)","1921","18","","210","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011112","3.867","0.003","3.867","0.003","3.867","0.003","90","","90","","90","","57.8","","","","","","","","","","","","synthetic (from Heraeus)","1","F m -3 m","-F 4 2 3","225","Palladium","Palladium","Palladium","- Pd -","- Pd -","- Pd4 -","4","0.0208333","","Davey, W P","Precission measurements of the lattice constants of 12 common metals","Physical Review (1,1893-132,1963/141,1966-188,1969)","1925","25","","753","761","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011113","3.92","0.004","3.92","0.004","3.92","0.004","90","","90","","90","","60.2","","","","","","","","","","","","synthetic","1","F m -3 m","-F 4 2 3","225","Platinum","Platinum","Platinum","- Pt -","- Pt -","- Pt4 -","4","0.0208333","","Davey, W P","Precission measurements of the lattices of 12 simple metals","Physical Review (1,1893-132,1963/141,1966-188,1969)","1925","25","","753","761","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011114","3.878","","3.878","","3.878","","90","","90","","90","","58.3","","","","","","","","","","","","synthetic, sheet","1","F m -3 m","-F 4 2 3","225","Platinum","Platinum","Platinum","- Pt -","- Pt -","- Pt4 -","4","0.0208333","","Uspenski, N; Konobejewski, S","Beugung der Roentgenstrahlen in mikrokrystallinen Strukturen","Zeitschrift fuer Physik","1923","16","","215","227","10.1007/BF01327394","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011115","8.04","","10.27","","3.82","","90","","90","","90","","315.4","","","","","","","","","","","","synthetic","4","P 21 21 2","P 2 2ab","18","","Ammonium oxalate monohydrate","Oxammite","- C2 H10 N2 O5 -","- C2 H10 N2 O5 -","- C4 H20 N4 O10 -","2","0.5","","Hendriks, S B; Jefferson, M E","Electron distribution in (N H4)2 (C2 O4) . (H2 O) and the structure of the oxalate group","Journal of Chemical Physics","1936","4","","102","107","10.1063/1.1749795","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011116","4.216","0.001","4.216","0.001","4.216","0.001","90","","90","","90","","74.9","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Magnesium oxide","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Broch, E.","Crystal Structure","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1927","127","","446","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011117","4.211","","4.211","","4.211","","90","","90","","90","","74.7","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Magnesium oxide","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Wyckoff, R W G","Die Kristallstruktur von Silberphosphat und Silberarsenat, Ag3 X O4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1925","62","","529","539","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011118","4.2","","4.2","","4.2","","90","","90","","90","","74.1","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Magnesium oxide","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Schiebold, E","Crystal Structure","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1927","56","","430","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011119","4.93","0.005","4.93","0.005","4.93","0.005","90","","90","","90","","119.8","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Lead","Lead","Lead","- Pb -","- Pb -","- Pb4 -","4","0.0208333","","Davey, W P","Precission measurements of the lattices of 12 simple metals","Physical Review (1,1893-132,1963/141,1966-188,1969)","1925","25","","753","761","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011120","10.45","","10.45","","10.45","","24.13","","24.13","","24.13","","167.6","","","","","","","","","","","","synthetic","2","R -3 m :R","-P 3* 2","166","","Bismuth telluride","Tellurobismuthite","- Bi2 Te3 -","- Bi2 Te3 -","- Bi2 Te3 -","1","0.0833333","","Lange, P. W.","Ein vergleich zwischen Bi2Te3 und Bi2Te2S","Naturwissenschaften","1939","27","","133","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011121","8.62","","8.2","","5.94","","90","","90","","90","","419.9","","","","","","","","","","","","from Cornwall, England","4","P n n m","-P 2 2n","58","","Copper arsenate(V) hydroxide","Olivenite","- As Cu2 H O5 -","- As Cu2 H1.25 O5 -","- As4 Cu8 H5 O20 -","4","0.5","","Heritsch, H.","Die Struktur des Olivenites Cu~2~OHAsO~4~","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","466","479","10.1524/zkri.1938.99.1.466","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1011122","13.74","","13.74","","13.74","","90","","90","","90","","2593.9","","","","","","","","","","","","from Elba, Italy","4","I a -3 d","-I 4bd 2c 3","230","","Caesium tecto-alumodisilicate","Pollucite","- Al Cs O6 Si2 -","- Al0.99 Cs O6 Si2.01 -","- Al15.84 Cs16 O96 Si32.16 -","16","0.166667","","Náray-Szabó, St. v.","Die Struktur des Pollucits CsAlSi~2~O~6~*xH~2~O","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","277","282","10.1524/zkri.1938.99.1.277","","","","","","","","","","","","","","","","","","","","","has coordinates","175087","2020-10-21","18:00:00",""
"1011123","13.74","","13.74","","13.74","","90","","90","","90","","2593.9","","","","","","","","","","","","from Elba, Italy","4","I 41/a c d :1","I 4bw 2aw -1bw","142","","Caesium tecto-alumodisilicate","Pollucite","- Al Cs O6 Si2 -","- Al Cs O6 Si2 -","- Al16 Cs16 O96 Si32 -","16","0.5","","Náray-Szabó, St. v.","Die Struktur des Pollucits CsAlSi~2~O~6~*xH~2~O","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","277","282","10.1524/zkri.1938.99.1.277","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1011124","11.08","0.05","11.14","0.06","8.97","0.04","90","","90","","90","","1107.2","","","","","","","","","","","","synthetic","4","A e a 2","A 2 -2ab","41","","Potassium pentaborate tetrahydrate","Santite","- B5 H8 K O12 -","- B5 H8 K O12 -","- B20 H32 K4 O48 -","4","0.5","","Zachariasen, W. H.","The crystal structure of potassium acid dihydronium pentaborate KH~2~(H~3~O)~2~B~5~O~10~, (potassium pentaborate tetrahydrate)","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1938","98","1-6","266","274","10.1524/zkri.1938.98.1.266","","","","","","","","","","","","","","","","","","","","","has coordinates","297293","2025-01-13","07:57:44",""
"1011125","6.13","","9.81","","11.4","","90","","90","","90","","685.5","","","","","","","","","","","","from Aurora mine, Kaveltorp, Sweden","3","P m m a","-P 2a 2a","51","","Copper(I) heptathiotetraferrate(III)","Valleriite","- Cu2 Fe4 S7 -","- Cu2 Fe4 S7 -","- Cu4 Fe8 S14 -","2","0.25","","Hiller, J E","Zur Kristallstruktur des Valleriits","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","101","","425","434","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011126","11.48","0.01","4.36","0.005","3.55","0.005","90","","90","","90","","177.7","","","","","","","","","","","","synthetic from melt","2","P m n 21","P 2ac -2","31","","Vanadium oxide","Shcherbianite","- O5 V2 -","- O5 V2 -","- O10 V4 -","2","0.5","","Ketelaar, J A A","Die Kristallstruktur des Vanadinpentoxyds","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","9","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011127","6.277","0.002","6.277","0.002","6.277","0.002","90","","90","","90","","247.3","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Potassium chloride","Sylvine","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Ott, H.","Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2; Präzisionsmessungen einiger Alkalihalogenide","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1926","63","","222","230","10.1524/zkri.1926.63.1.222","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011128","10.34","0.02","10.34","0.02","10.34","0.02","90","","90","","90","","1105.5","","","","","","","","","","","","from Herregardsdammen, Larvik, S. Norway, annealed at 1173","3","F d -3 m :1","F 4d 2 3 -1d","227","","Dicalcium diniobate","Pyrochlore","- Ca2 Nb2 O7 -","- Ca2 Nb2 O7 -","- Ca16 Nb16 O56 -","8","0.0416667","","Gaertner, H R von","Die Kristallstrukturen von Loparit und Pyrochlor.","Zentralblatt fuer Mineralogie, Geologie und Palaeontologie, Abt. A (Teil 1)","1930","61","","1","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011129","3.868","","3.868","","3.868","","90","","90","","90","","57.9","","","","","","","","","","","","ammoniac - synthetic","3","P m -3 m","-P 4 2 3","221","","Ammonium chloride - $-alpha","Salammoniac","- Cl H4 N -","- Cl H4 N -","- Cl H4 N -","1","0.0208333","","Bartlett, G; Langmuir, I","The crystal structure of the ammonium halides above and below the transition temperature","Journal of the American Chemical Society","1921","43","","84","91","10.1021/ja01434a010","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011130","6.533","","6.533","","6.533","","90","","90","","90","","278.8","","","","","","","","","","","","ammoniac high - synthetic","3","F m -3 m","-F 4 2 3","225","","Ammonium chloride - $-beta","Salammoniac","- Cl H4 N -","- Cl H4 N -","- Cl4 H16 N4 -","4","0.0208333","","Bartlett, G; Langmuir, I","The crystal structure of the ammonium halides above and below the transition temperature","Journal of the American Chemical Society","1921","43","","84","91","10.1021/ja01434a010","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011131","4.4","","4.4","","4.4","","90","","90","","90","","85.2","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ammonium nitrate(V) - I","","- H4 N2 O3 -","- H4.5 N2 O3 -","- H4.5 N2 O3 -","1","0.0208333","","Hendricks, S B; Posnjak, E; Kracek, F C","Molecular rotation in the solid state. The variation of the crystal structure of ammonium nitrate with temperature","Journal of the American Chemical Society","1932","54","","2766","2786","10.1021/ja01346a020","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011132","7.06","","7.66","","5.8","","90","","90","","90","","313.7","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Ammonium nitrate(V) - III","","- H4 N2 O3 -","- H4 N2 O3 -","- H16 N8 O12 -","4","0.5","","Hendricks, S B; Posnjak, E; Kracek, F C","Molecular rotation in the solid state. The variation of the crystal structure of ammonium nitrate with temperature","Journal of the American Chemical Society","1932","54","","2766","2786","10.1021/ja01346a020","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011133","5.75","","5.45","","4.96","","90","","90","","90","","155.4","","","","","","","","","","","","","3","P m m n :1","P 2 2ab -1ab","59","","Ammonium nitrate(V) - IV","","- H4 N2 O3 -","- H4 N2 O3 -","- H8 N4 O6 -","2","0.25","","Hendricks, S B; Posnjak, E; Kracek, F C","Molecular rotation in the solid state. The variation of the crystal structure of ammonium nitrate with temperature","Journal of the American Chemical Society","1932","54","","2766","2786","10.1021/ja01346a020","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011134","3.114","0.005","3.114","0.005","4.617","0.005","90","","90","","120","","38.8","","","","","","","","","","","","synthetic","3","P -3 m 1","-P 3 2""","164","","Nickel hydroxide","Theophrastite","- H2 Ni O2 -","- H3 Ni O2 -","- H3 Ni O2 -","1","0.0833333","","Cairns, R W; Ott, E","X-ray studies of the system nickel-oxygen-water. I. Nickelous oxide and hydroxide","Journal of the American Chemical Society","1933","55","","527","533","10.1021/ja01329a013","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011135","9.06","","5.64","","7.23","","90","","90","","90","","369.4","","","","","","","","","","","","synthetic from solution","4","P n m a","-P 2ac 2n","62","","Ammonium tetrafluoroborate","Barberiite","- B F4 H4 N -","- B F4 H4 N -","- B4 F16 H16 N4 -","4","0.5","","Hoard, J L; Blair, V","The crystal structures of rubidium and ammonium fluoborates","Journal of the American Chemical Society","1935","57","","1985","1988","10.1021/ja01313a067","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011136","10.39","0.01","10.39","0.01","10.39","0.01","90","","90","","90","","1121.6","","","","","","","","","","","","from Scheelinger Kalk, Kaiserstuhl,Germany","9","F d -3 m :1","F 4d 2 3 -1d","227","","Sodium potassium calcium cerium iron(III) niobium oxide hydroxide fluoride (.38/.25/1.13/.25/.38/1.63/5.95/.8/.25)","Pyrochlore","- Ca1.125 Ce0.25 F0.25 Fe0.38 H0.8 K0.25 Na0.375 Nb1.63 O6.75 -","- Ca1.125 Ce0.25 F0.25 Fe0.375 H0.575 K0.25 Na0.375 Nb1.625 O6.75 -","- Ca9 Ce2 F2 Fe3 H4.6 K2 Na3 Nb13 O54 -","8","0.0416667","","Brandenberger, E","Die Kristallstruktur des Koppit","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","76","","322","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011137","9.95","0.02","9.95","0.02","7.31","0.02","90","","90","","120","","626.7","","","","","","","","","","","","from Hunter Min. Dist., Shoshone Co., Idaho","4","P 63/m","-P 6c","176","","Pentalead tris(phosphate(V)) chloride","Pyromorphite","- Cl O12 P3 Pb5 -","- Cl O12 P3 Pb5 -","- Cl2 O24 P6 Pb10 -","2","0.166667","","Hendricks, S B; Jefferson, M E; Mosley, V M","The crystal structures of some natural and synthetic apatite-like substances","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","81","","352","369","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011138","10.31","0.02","10.31","0.02","7.34","0.02","90","","90","","120","","675.7","","","","","","","","","","","","from Yuma Co., Arizona","4","P 63/m","-P 6c","176","","Pentalead tris(vanadate) chloride","Vanadinite","- Cl O12 Pb5 V3 -","- Cl O12 Pb5 V3 -","- Cl2 O24 Pb10 V6 -","2","0.166667","","Hendricks, S B; Jefferson, M E; Mosley, V M","The Crystal Structures of Some Natural and Synthetic Apatite-Like Substances","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","81","","352","369","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011139","8.89","","8.89","","8.89","","90","","90","","90","","702.6","","","","","","","","","","","","from Bancroft, Ontario","5","P -4 3 m","P -4 2 3","215","","Octasodium tecto-hexaalumohexasilicate dichloride","Sodalite","- Al6 Cl2 Na8 O24 Si6 -","- Al6 Cl2 Na8 O24 Si6 -","- Al6 Cl2 Na8 O24 Si6 -","1","0.0416667","","Barth, T F W","The structures of the minerals of the sodalite family","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","83","","405","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011140","10.26","","10.26","","10.26","","90","","90","","90","","1080","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Calcium diantimonate oxide","Romeite","- Ca2 O7 Sb2 -","- Ca2 O7 Sb2 -","- Ca16 O56 Sb16 -","8","0.0416667","","Natta, G.; Baccaredda, M.","Tetrossido di antimonio e antimoniati","Zeitschrift fur Kristallographie","1933","85","","271","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011141","4.614","0.002","4.614","0.002","4.614","0.002","90","","90","","90","","98.2","","","","","","","","","","","","in nepheline-syenite from Los-Archipel","2","F m -3 m","-F 4 2 3","225","","Sodium fluoride","Villiaumite","- F Na -","- F Na -","- F4 Na4 -","4","0.0208333","","Barth, T; Lunde, G","Ueber das Mineral Villiaumit","Zentralblatt fuer Mineralogie und Geologie, A","1927","1927","","57","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011142","10.348","0.008","10.348","0.008","10.348","0.008","90","","90","","90","","1108.1","","","","","","","","","","","","from Herregardsdammen, Larvik, S. Norway","5","F d -3 m :1","F 4d 2 3 -1d","227","","Sodium calcium bis(niobate) fluoride","Pyrochlore heated","- Ca F Na Nb2 O6 -","- Ca F Na Nb2 O6 -","- Ca8 F8 Na8 Nb16 O48 -","8","0.0416667","","Gaertner, H R von","Die Kristallstrukturen von Loparit und Pyrochlor","Neues Jahrbuch fuer Mineralogie, Geologie und Palaeontologie. Beilagen, Abt. A (1925-1942)","1930","61","","1","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011143","6.862","","6.862","","6.174","","90","","90","","90","","290.7","","","","","","","","","","","","synthetic","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Yttrium phosphate(V)","Xenotime (Y)","- O4 P Y -","- O4 P Y -","- O16 P4 Y4 -","4","0.125","","Strada, M.; Schwendimann, G.","La struttura cristallina di alcuni fosfati ed arseniati di metalli trivalenti. II. Arseniato e fosfato di ittrio Locality: synthetic","Gazzetta Chimica Italiana","1934","64","","662","674","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011144","4.916","","5.542","","11.78","","90","","90","","90","","320.9","","","","","","","","","","","","from Mesa Grande, California","3","P n a 21","P 2c -2n","33","","Antimony phyllo-tetraoxotantalate","Stibiotantalite","- O4 Sb Ta -","- O4 Sb Ta -","- O16 Sb4 Ta4 -","4","1","","Dihlstroem, K","Ueber den Bau des wahren Antimontetroxyds und des damit isomorphen Stibiotantalits, Sb Ta O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","239","","57","64","10.1002/zaac.19382390107","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011145","10.28","","10.28","","10.28","","90","","90","","90","","1086.4","","","","","","","","","","heating antimony pentoxide hydrate at 1053 K","","synthetic by heating antimony pentoxide hydrate at 1053 K","3","F d -3 m :2","-F 4vw 2vw 3","227","","Antimony hydroxohexaoxodiantimonate","Stibiconite","- H O7 Sb3 -","- H3 O7 Sb3 -","- H24 O56 Sb24 -","8","0.0416667","","Dihlstroem, K; Westgren, A","Ueber den Bau des sogenannten Antimontetroxyds und der damit isomorphen Verbindung Bi Ta2 O6 F","Zeitschrift fuer Anorganische und Allgemeine Chemie","1937","235","","153","160","10.1002/zaac.19372350121","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011146","9.78","","17.79999","","5.26","","90","","73.97","","90","","880.1","","","","","","","","","","","","from New York localities","5","I 1 2/m 1","-I 2y","12","","Dicalcium pentamagnesium dihydrogen octakis(catena-silicate)","Tremolite","- Ca2 H2 Mg5 O24 Si8 -","- Ca2 H3 Mg5 O24 Si8 -","- Ca4 H6 Mg10 O48 Si16 -","2","0.25","","Warren, B E","The crystal structure and chemical composition of the monoclinic amphiboles.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","72","","493","516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011147","6.56","","8.58","","4.74","","90","","103.13","","90","","259.8","","","","","","","","","","","","from Iveland, Saetersdalen, S. Norway","3","C 1 2/m 1","-C 2y","12","","Discandium disilicate","Thortveitite","- O7 Sc2 Si2 -","- O7 Sc2 Si2 -","- O14 Sc4 Si4 -","2","0.25","","Zachariasen, W H","The structure of thortveitite, Sc2 Si O7","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","73","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011148","4.653","0.01","3.41","0.01","5.108","0.01","90","","99.48","0.33","90","","79.9","","","","","","","","","","","","synthetic and from Mt. Vesuvius, Italy","2","C 1 2/c 1","-C 2yc","15","","Copper oxide","Tenorite","- Cu O -","- Cu O -","- Cu4 O4 -","4","0.5","","Tunell, G; Posnjak, E; Ksanda, C J","Geometrical and optical properties, and crystal structure of tenorite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","120","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011149","5.28","0.02","8.83","0.02","6.39","0.02","90","","90","","90","","297.9","","","","","","","","","","","","natural","3","P m c n S1","-P 2n 2a","62","","Barium carbonate","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","","","Colby, M Y; la Coste, J B","The crystal structure of witherite.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","1","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1011150","10.31","","10.31","","10.31","","24.17","","24.17","","24.17","","161.5","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Bismuth tellurium sulfide (2/2/1)","Tetradymite","- Bi2 S Te2 -","- Bi2 S Te2 -","- Bi2 S Te2 -","1","0.166667","","Harker, D","The crystal structure of the mineral tetradymite, Bi2 Te2 S","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","89","","175","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011151","5.46","","5.46","","10.725","","90","","90","","90","","319.7","","","","","","","","","","","","from Oruro, Brasilia","4","I -4 2 m","I -4 2","121","","Dicopper(I) iron tetrathiostannate","Stannite","- Cu2 Fe S4 Sn -","- Cu2 Fe S4 Sn -","- Cu4 Fe2 S8 Sn2 -","2","0.125","","Brockway, L O","The crystal structure of stannite, Cu2 Fe Sn S4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","89","","434","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011152","5.26","0.02","9.1","0.02","18.81","0.03","90","","100.08","","90","","886.5","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Trimagnesium dihydroxide phyllo-tetrasilicate","Talc 2M","- H2 Mg3 O12 Si4 -","- H3 Mg3 O12 Si4 -","- H12 Mg12 O48 Si16 -","4","0.5","","Gruner, J W","The crystal structures of talc and pyrophyllite.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","412","419","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011153","5.14","0.02","8.9","0.02","18.54999","0.03","90","","99.92","0.08","90","","835.9","","","","","","","","","","","","from Tres Cerritos, Mariposa Co., Calif.","4","C 1 2/c 1","-C 2yc","15","","Dialuminium phyllo-tetrasilicate dihydroxide","Pyrophyllite 2M1","- Al2 H2 O12 Si4 -","- Al2 H3 O12 Si4 -","- Al8 H12 O48 Si16 -","4","0.5","","Gruner, J W","The crystal structures of talc and pyrophyllite.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","412","419","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011154","11.2","0.02","11.28","0.02","3.83","0.01","90","","90","","90","","483.9","","","","","","","","","","","","from Rezbanya","2","P b n m","-P 2c 2ab","62","","Antimony trisulfide","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Hofmann, W.","Die struktur der minerale der animonitgruppe","Zeitschrift fur Kristallographie","1933","86","","225","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011155","6.43","0.02","6.43","0.02","6.63","0.02","90","","90","","90","","274.1","","","","","","","","","","","","synthetic","2","P 42/m","-P 4c","84","","Palladium sulfide","Vysotskite","- Pd S -","- Pd S -","- Pd8 S8 -","8","1","","Gaskell, T F","The structure of braggite and palladium sulphide.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","203","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011156","7.126","","7.126","","6.179","","90","","90","","90","","313.8","","","","","","","","","","","","synthetic at 1273-1373 K for 5 h","3","I 41/a m d 1","","141","","Yttrium vanadate","Wakefieldite (Y)","- O4 V Y -","- O4 V Y -","- O16 V4 Y4 -","4","","","Broch, E","Die Kristallstruktur von Yttriumvanadat","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1933","20","","345","350","","","","","","","","","","","","","","","","","","","","","","has coordinates","77586","2020-10-21","18:00:00",""
"1011157","8.68","","8.68","","8.68","","90","","90","","90","","654","","","","","","","","","","","","ultramarine - artificial","7","P -4 3 n","P -4n 2 3","218","","Sodium lithium aluminium silicon oxise sulfide hydrate *","Lithiu","- Al6 H1.7 Li4 Na4 O24.85 S2.05 Si6 -","- Al6 H3.4 Li4 Na4 O24.85 S2.05 Si6 -","- Al6 H3.4 Li4 Na4 O24.85 S2.05 Si6 -","1","0.0416667","","Podschus, E; Hofmann, U; Leschewski, K","Roentgenographische Strukturuntersuchungen von Ultramarinblau und seinen Reaktionsprodukten","Zeitschrift fuer Anorganische und Allgemeine Chemie","1936","228","","305","333","10.1002/zaac.19362280402","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011158","13.93","","13.93","","13.93","","90","","90","","90","","2703","","","","","","","","","","","","","5","F d -3 m :1","F 4d 2 3 -1d","227","","Dimagnesium hexasodium tetrakis(carbonate) sulfate(VI)","Tychite","- C4 Mg2 Na6 O16 S -","- C4 Mg2 Na6 O16 S -","- C32 Mg16 Na48 O128 S8 -","8","0.0416667","","Shiba, H; Watanabe, T","Les structures des cristaux de northupite, de northupite bromee et de tychite.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1931","193","","1421","1423","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1011159","4.91","","4.91","","5.4","","90","","90","","120","","112.7","","","","","","","","","","","","","2","P 32 2 1 S","","154","","Silicon oxide","Quartz low","- O2 Si -","- O2 Si -","- O6 Si3 -","3","","","Machatschki, F","Kristallstruktur von Tiefquarz","Fortschritte der Mineralogie","1936","20","","45","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","77586","2020-10-21","18:00:00",""
"1011160","10.48","","12.92","","24.54999","","90","","90","","90","","3324.1","","","","","","","","","","","","synthetic","1","F d d d :1","F 2 2 -1d","70","Sulfur","Octasulfur - $-alpha","Sulfur","- S8 -","- S8 -","- S128 -","16","0.5","","Warren, B E; Burwell, J T","The structure of rhombic sulphur","Journal of Chemical Physics","1935","3","","6","8","10.1063/1.1749557","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011161","10.74","","10.74","","8.64","","90","","90","","120","","863.1","","","","","","","","","","","","from Schneeberg, Saxony","3","R 3 c :H","R 3 -2""c","161","","Silver trithioarsenate(III)","Proustite","- Ag3 As S3 -","- Ag3 As S3 -","- Ag18 As6 S18 -","6","0.333333","","Harker, D","The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3","Journal of Chemical Physics","1936","4","","381","390","10.1063/1.1749863","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011162","11.04","","11.04","","8.71","","90","","90","","120","","919.4","","","","","","","","","","","","from Freiberg, Saxony","3","R 3 c :H","R 3 -2""c","161","","Silver trithioantimonate(III)","Pyrargyrite","- Ag3 S3 Sb -","- Ag3 S3 Sb -","- Ag18 S18 Sb6 -","6","0.333333","","Harker, D","The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3","Journal of Chemical Physics","1936","4","","381","390","10.1063/1.1749863","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011163","4.2816","","4.2816","","4.2816","","90","","90","","90","","78.5","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.91/1)","Wuestite","- Fe0.911 O -","- Fe0.911 O -","- Fe3.644 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011164","4.2847","","4.2847","","4.2847","","90","","90","","90","","78.7","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.92/1)","Wuestite","- Fe0.918 O -","- Fe0.918 O -","- Fe3.672 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011165","4.2909","","4.2909","","4.2909","","90","","90","","90","","79","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.93/1)","Wuestite","- Fe0.929 O -","- Fe0.929 O -","- Fe3.716 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011166","4.2909","","4.2909","","4.2909","","90","","90","","90","","79","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.93/1)","Wuestite","- Fe0.932 O -","- Fe0.932 O -","- Fe3.728 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011167","4.2997","","4.2997","","4.2997","","90","","90","","90","","79.5","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.94/1)","Wuestite","- Fe0.944 O -","- Fe0.944 O -","- Fe3.776 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011168","4.301","","4.301","","4.301","","90","","90","","90","","79.6","","","","","","","","","","","","synthetic at 1323 K for 1d, rapidly cooled","2","F m -3 m","-F 4 2 3","225","","Iron oxide (0.94/1)","Wuestite","- Fe0.944 O -","- Fe0.944 O -","- Fe3.776 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011169","4.332","","4.332","","4.332","","90","","90","","90","","81.3","","","","","","","","","","","","hypothetical stoichometric end-member","2","F m -3 m","-F 4 2 3","225","","Iron oxide","Wuestite","- Fe O -","- Fe O -","- Fe4 O4 -","4","0.0208333","","Jette, E R; Foote, F","An x-ray study of the wuestite (Fe O) solid solutions","Journal of Chemical Physics","1933","1","","29","36","10.1063/1.1749215","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011170","5.47","","5.47","","12.08","","90","","90","","90","","361.4","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Lead molybdate","Wulfenite","- Mo O4 Pb -","- Mo O Pb -","- Mo4 O4 Pb4 -","4","0.25","","Dickinson, R G","The crystal structure of wulfenite and scheelite","Journal of the American Chemical Society","1920","42","","85","93","10.1021/ja01446a012","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011171","5.62","","5.62","","11.4","","90","","90","","90","","360.1","","","","","","","","","","","","from Korea","3","I 41/a :1","I 4bw -1bw","88","","Calcium tungstate","Scheelite","- Ca O4 W -","- Ca O W -","- Ca4 O4 W4 -","4","0.25","","Dickinson, R G","The crystal structure of wulfenite and scheelite","Journal of the American Chemical Society","1920","42","","85","93","10.1021/ja01446a012","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011172","4.913","","4.913","","5.405","","90","","90","","120","","113","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","Silicon oxide $-alpha","Quartz low","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Brill, R; Hermann, C; Peters, C","Studien ueber chemische Bindung mittels Fourieranalyse III. Die Bindung im Quarz","Naturwissenschaften","1939","27","","676","677","10.1007/BF01494994","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011173","4.22","","4.22","","4.22","","90","","90","","90","","75.2","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Magnesium oxide","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Bragg, W L","Crystal structure","Nature (London)","1920","105","","646","648","10.1038/105646a0","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011174","11.48","0.01","4.36","0.005","3.555","0.005","90","","90","","90","","177.9","","","","","","","","","","","","synthetic from melt","2","P m n 21","P 2ac -2","31","","Vanadium oxide","Shcherbianite","- O5 V2 -","- O5 V2 -","- O10 V4 -","2","0.5","","Ketelaar, J A A","Crystal structure and shape of colloidal particles of vanadium pentoxide","Nature (London)","1936","137","","316","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011175","3.89","","3.89","","7.37","","90","","90","","90","","111.5","","","","","","","","","","","","synthetic","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Bismuth oxide chloride","Bismoclite","- Bi Cl O -","- Bi Cl O -","- Bi2 Cl2 O2 -","2","0.125","","Bannister, F A","Crystal structure of bismuth oxyhalides","Nature (London)","1934","134","","856","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011176","4.9","","4.9","","5.4","","90","","90","","120","","112.3","","","","","","","","","","","","","2","P 32 2 1 S","","154","","Silicon oxide - $-alpha","Quartz low","- O2 Si -","- O2 Si -","- O6 Si3 -","3","","","Machatschki, F","Die Kristallstruktur von Tiefquarz Si O2 und Aluminiumorthoarsenat Al As O4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","222","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","77586","2020-10-21","18:00:00",""
"1011177","12.18","","12.18","","12.18","","90","","90","","90","","1806.9","","","","","","","","","","","","alum - synthetic","5","P a -3","-P 2ac 2ab 3","205","","Potassium aluminium sulfate(VI) dodecahydrate","Alum-K","- Al H24 K O20 S2 -","- Al H24 K O20 S2 -","- Al4 H96 K4 O80 S8 -","4","0.166667","","Beevers, C A; Lipson, H","Crystal structure of the alums","Nature (London)","1934","134","","327","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011178","3.43","","3.43","","5.68","","90","","90","","120","","57.9","","","","","","","","","","","","from Freiberg, Saxony","2","P 63/m m c","-P 6c 2c","194","","Iron sulfide (.95/1.05)","Pyrrhotite 1T subcell","- Fe0.95 S1.05 -","- Fe0.95 S1.05 -","- Fe1.9 S2.1 -","2","0.0833333","","Alsen, N","Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen","Geologiska Foereningens i Stockholm Foerhandlingar","1925","47","","19","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011179","3.43","","3.43","","5.79","","90","","90","","120","","59","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Iron sulfide (1.05/.95)","Pyrrhotite","- Fe1.05 S0.95 -","- Fe1.05 S0.95 -","- Fe2.1 S1.9 -","2","0.0833333","","Alsen, N","Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen","Geologiska Foereningens i Stockholm Foerhandlingar","1925","47","","19","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011180","3.43","","3.43","","5.79","","90","","90","","120","","59","","","","","","","","","","","","from Del Norte Co., California","2","P 63/m m c","-P 6c 2c","194","","Iron sulfide","Troilite subcell","- Fe S -","- Fe S -","- Fe2 S2 -","2","0.0833333","","Alsen, N","Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen","Geologiska Foereningens i Stockholm Foerhandlingar","1925","47","","19","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011181","10.04","0.07","10.04","0.07","10.04","0.07","90","","90","","90","","1012","","","","","","","","","","","","from Bavaria, Germany and Sudbury, Canada","3","F m -3 m","-F 4 2 3","225","","Iron nickel sulfide","Pentlandite","- Fe Ni S2 -","- Fe Ni S2 -","- Fe16 Ni16 S32 -","16","0.0833333","","Alsen, N","Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen","Geologiska Foereningens i Stockholm Foerhandlingar","1925","47","","19","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011182","10.15","","10.15","","10.15","","90","","90","","90","","1045.7","","","","","","","","","","","","from Searles Lake, California, USA","5","F m -3 m","-F 4 2 3","225","","Sodium bis(sulfate(VI)) fluoride chloride","Sulphohalite","- Cl F Na6 O8 S2 -","- Cl F Na6 O8 S2 -","- Cl4 F4 Na24 O32 S8 -","4","0.0208333","","Watanabé, Tokunosuké","The crystal structure of sulphohalite","Proceedings of the Imperial Academy (Tokyo)","1934","10","9","575","577","10.2183/pjab1912.10.575","","","","","","","","","","","","","","","","","","","","","has coordinates","176254","2020-10-21","18:00:00",""
"1011183","5.5","","11.75","","5.59","","90","","90","","90","","361.3","","","","","","","","","","","","from Rendaizi mine, Izu Peninsula, Shizuoka Prefecture","2","P c a b","-P 2bc 2ac","61","","Tellurium oxide","Tellurite","- O2 Te -","- O2 Te -","- O16 Te8 -","8","1","","Ito, T; Sawada, H","The crystal structure of tellurite (Te O2)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1940","102","","13","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011184","5.85","","12.29","","9.75","","90","","90","","90","","701","","","","","","","","","","","","synthetic","3","F d d d :2","-F 2uv 2vw","70","","Sodium sulfate(VI)","Thenardite","- Na2 O4 S -","- Na2 O4 S -","- Na16 O32 S8 -","8","0.25","","Zachariasen, W H; Ziegler, G E","The crystal structure of anhydrous sodium sulfate Na2 S O4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","81","","92","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011185","8.87","","8.87","","8.87","","90","","90","","90","","697.9","","","","","","","","","","","","from Bancroft, Ontario","5","P -4 3 n","P -4n 2 3","218","","Octasodium tecto-hexaalumohexasilicate dichloride","Sodalite","- Al6 Cl2 Na8 O24 Si6 -","- Al6 Cl2 Na8 O24 Si6 -","- Al6 Cl2 Na8 O24 Si6 -","1","0.0416667","","Pauling, L","The structure of sodalite and helvite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","74","","213","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011186","5.92","","10.4","","7.61","","90","","90","","90","","468.5","","","","","","","","","","","","synthetic","3","P m c n","-P 2n 2a","62","","Potassium chromate","Tarapacaite","- Cr K2 O4 -","- Cr K2 O4 -","- Cr4 K8 O16 -","4","0.5","","Zachariasen, W H; Ziegler, G E","The crystal structure of potassium chromate K2 Cr O4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","80","","164","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011187","8.45","","12.95","","7.1","","90","","116.1","","90","","697.7","","","","","","","","","","","","from Mt. Vesuvius, Italy","4","C 1 2/m 1","-C 2y","12","","Potassium tecto-alumotrisilicate","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Taylor, W H","The structure of sanidine and other felspars","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","87","","464","481","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011188","6.008","0.01","3.784","0.01","14.456","0.03","90","","90","","90","","328.6","","","","","","","","","","","","from Guadiz, Spain and Wolfsberg, Harz, Germany","3","P n m a","-P 2ac 2n","62","","Antimony copper(I) sulfide","Wolfsbergite","- Cu S2 Sb -","- Cu S2 Sb -","- Cu4 S8 Sb4 -","4","0.5","","Hofmann, W","Strukturelle und morphologische Zusammenhaenge bei Erzen vom Formeltyp ABC2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","84","","177","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011189","6.8","","6.8","","18.29999","","90","","90","","90","","846.2","","","","","","","","","","","","synthetic by slow evaporation at RT","4","P 41 21 2","P 4abw 2nw","92","","Nickel sulfate(VI) hexahydrate","Retgersite","- H12 Ni O10 S -","- H12 Ni O10 S -","- H48 Ni4 O40 S4 -","4","0.5","","Beevers, C. A.; Lipson, H.","The crystal structure of nickel sulphate hexahydrate NiSO4 * 6H2O Locality: synthetic","Zeitschrift fur Kristallographie","1932","83","","123","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011190","10.272","0.008","10.272","0.008","10.272","0.008","90","","90","","90","","1083.8","","","","","","","","","","","","from St. Marcel, Piemont, Italy","5","F d -3 m :1","F 4d 2 3 -1d","227","","Sodium calcium diantimonate hydroxide","Romeite","- Ca H Na O7 Sb2 -","- Ca H2 Na O7 Sb2 -","- Ca8 H16 Na8 O56 Sb16 -","8","0.0416667","","Zedlitz, O","Die Kristallstruktur von Romeit und Schneebergit","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","81","","253","263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011191","9.5","","8.3","","5.24","","90","","69.67","","90","","387.4","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Lithium aluminium catena-disilicate *","Spodumene","- Al Li O6 Si2 -","- Al Li O6 Si2 -","- Al4 Li4 O24 Si8 -","4","0.5","","Warren, B E; Biscoe, J","The crystal structure of monoclinic pyroxenes","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","80","","391","401","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011192","6.008","","3.784","","14.456","","90","","90","","90","","328.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Copper(I) antimony sulfide","Wolfsbergite","- Cu S2 Sb -","- Cu S2 Sb -","- Cu4 S8 Sb4 -","4","0.5","","Hofmann, W","Strukturelle und morphologische Zusammenhaenge bei Erzen vom Formeltyp A B C2","Fortschritte der Mineralogie","1932","17","","422","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011193","4.198","","4.198","","4.198","","90","","90","","90","","74","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Magnesium oxide","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Schiebold, E","Ueber die Kristallstruktur des Periclas.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1921","56","","430","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011194","4.67","","3.43","","5.12","","90","","99.53","","90","","80.9","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Copper oxide","Tenorite","- Cu O -","- Cu O -","- Cu4 O4 -","4","0.5","","Niggli, P","Die Kristallstruktur einiger Oxyde I.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1922","57","","253","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011195","3.8","","3.8","","6.23","","90","","90","","120","","77.9","","","","","","","","","","","","from Pribram, Bohemia","2","P 63 m c","P 6c -2c","186","","Zinc sulfide","Wurtzite 2H","- S Zn -","- S Zn -","- S2 Zn2 -","2","0.166667","","Aminoff, G.","Untersuchungen ueber die kristallstrukturen von wurtzit und rotnickelkies","Zeitschrift fur Kristallographie","1923","58","","203","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011196","3.836","","3.836","","6.277","","90","","90","","120","","80","","","","","","","","","","","","synthetic at 1373 K","2","P 63 m c","P 6c -2c","186","","Zinc sulfide - $-alpha","Wurtzite 2H","- S Zn -","- S Zn -","- S2 Zn2 -","2","0.166667","","Ulrich, F.; Zachariasen, W. H.","Ueber die kristallstruktur des alpha- und beta-CdS, sowie des wurtzits Locality: synthetic","Zeitschrift fur Kristallographie","1925","62","","260","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011197","4.42","","9.39","","5.47","","90","","90","","90","","227","","","","","","","","","","","","natural","3","P b n m","-P 2c 2ab","62","","Beryllium dialuminium oxide","Chrysoberyl","- Al2 Be O4 -","- Al2 Be O4 -","- Al8 Be4 O16 -","4","0.5","","Bragg, W L; Brown, G B","Die Kristallstruktur von Crysoberyll (Be Al2 O4).","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","63","","122","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011198","4.303","","4.303","","4.303","","90","","90","","90","","79.7","","","","","","","","","","","","synthetic from melt (Fe3 O4 + Fe)","2","F m -3 m","-F 4 2 3","225","","Iron oxide","Wuestite","- Fe O -","- Fe O -","- Fe4 O4 -","4","0.0208333","","Wyckoff, R W G; Crittenden, E D","Herstellung und Kristallstruktur von Ferrooxyd (Fe O).","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","63","","144","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011199","6.04","","6.04","","6.04","","90","","90","","90","","220.3","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Mercury selenide","Tiemannite","- Hg Se -","- Hg Se -","- Hg4 Se4 -","4","0.0416667","","de Jong, W F","Die Struktur des Tiemannit und Koloradoit.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","63","","466","472","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011200","5.013","","5.013","","5.47","","90","","90","","120","","119","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Silicon oxide - β","Quartz high","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Wyckoff, Ralph W. G.","XXIX. Kriterien für hexagonale Raumgruppen und die Kristallstruktur von β-quarz","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","63","1-6","507","537","10.1524/zkri.1926.63.1.507","","","","","","","","","","","","","","","","","","","","","has coordinates","200080","2020-10-21","18:00:00",""
"1011201","11.14","","11.14","","11.14","","90","","90","","90","","1382.5","","","","","","","","","","","","synthetic","2","F d -3 m :1","F 4d 2 3 -1d","227","","Antimony oxide","Senarmontite","- O3 Sb2 -","- O3 Sb2 -","- O48 Sb32 -","16","0.0833333","","Dehlinger, U.","Uber die kristallstruktur der antimonoxyde","Zeitschrift fur Kristallographie","1927","66","","108","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:21",""
"1011202","4.815","","11.08","","6.37","","90","","90","","90","","339.8","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Calcium magnesium silicate","Monticellite","- Ca Mg O4 Si -","- Ca Mg O4 Si -","- Ca4 Mg4 O16 Si4 -","4","0.5","","Brown, G B; West, J","The structure of monticellite (Mg Ca Si O4).","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1927","66","","154","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011203","8.189","0.002","8.189","0.002","8.189","0.002","90","","90","","90","","549.2","","","","","","","","","","","","from Skutterud, Norway","2","I m -3","-I 2 2 3","204","","Cobalt arsenide (1/3)","Skutterudite","- As3 Co -","- As3 Co -","- As24 Co8 -","8","0.166667","","Oftedal, I","Die Kristallstruktur von Skutterdit und Speiskobalt-Chloanthit.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1927","66","","517","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011204","7.43","0.03","7.58","0.03","5.74","0.02","90","","90","","90","","323.3","","","","","","","","","","","","from North America","3","P b n m","-P 2c 2ab","62","","Dialuminium silicate oxide","Sillimanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Taylor, W H","The structure of sillimanite and mullite.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1928","68","","503","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011205","8.6","","13.02","","7.22","","90","","116.05","","90","","726.3","","","","","","","","","","","","from Mogok, Upper Burma, (Spencer C)","4","C 1 2/m 1","-C 2y","12","","Potassium tecto-alumotrisilicate","Orthoclase","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Chao, S H; Hargreaves, A; Taylor, W H","The structure of orthoclase.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1940","25","","498","512","10.1180/minmag.1940.025.168.05","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011206","9.927","","9.927","","9.927","","90","","90","","90","","978.3","","","","","","","","","","","","synthetic at 923 K","2","F m -3 m","-F 4 2 3","225","","Cobalt sulfide (9/8)","Cobaltpentlandite","- Co9 S8 -","- Co9 S8 -","- Co36 S32 -","4","0.0208333","","Lindqvist, M; Lindqvist, D; Westgren, A","The crystal structure of Co9 S8 and of pentlandite (Ni Fe)9 S8","Svensk Kemisk Tidskrift","1936","48","","156","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011207","10.09","","10.09","","10.09","","90","","90","","90","","1027.2","","","","","","","","","","annealed at 923 K","","synthetic from elements, annealed at 923 K","3","F m -3 m","-F 4 2 3","225","","Nickel iron sulfide (9/9/16)","Pentlandite","- Fe9 Ni9 S16 -","- Fe9 Ni9 S16 -","- Fe18 Ni18 S32 -","2","0.0104167","","Lindqvist, M; Lindqvist, D; Westgren, A","The crystal structure of Co9 S8 and of pentlandite (Ni Fe)9 S8","Svensk Kemisk Tidskrift","1936","48","","156","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011208","9.91","","9.91","","9.91","","90","","90","","90","","973.2","","","","","","","","","","annealed at 923 K","","synthetic from elements, annealed at 923 K","3","F m -3 m","-F 4 2 3","225","","Iron nickel sulfide (9/8)","Pentlandite","- Fe6 Ni3 S8 -","- Fe6.003 Ni2.997 S8 -","- Fe24.012 Ni11.988 S32 -","4","0.0208333","","Lindqvist, M; Lindqvist, D; Westgren, A","The crystal structure of Co9 S8 and of pentlandite (Ni Fe)9 S8","Svensk Kemisk Tidskrift","1936","48","","156","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011209","12.157","0.002","12.157","0.002","12.157","0.002","90","","90","","90","","1796.7","","","","","","","","","","","","alum - synthetic","5","P a -3","-P 2ac 2ab 3","205","","Potassium aluminium bis(sulfate(VI) dodecahydrate","Potassiu","- Al H24 K O20 S2 -","- Al H24 K O20 S2 -","- Al4 H96 K4 O80 S8 -","4","0.166667","","Lipson, H; Beevers, C A","The crystal structure of the alums","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1934","148","","664","680","10.1098/rspa.1935.0040","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011210","5.302","","5.366","","3.777","","90","","90","","90","","107.5","","","","","","","","","","","","from Zermatt, Swiss Alps","3","C m m m","-C 2 2","65","","Calcium titanate","Perovskite","- Ca O3 Ti -","- Ca O3 Ti -","- Ca2 O6 Ti2 -","2","0.125","","Barth, T","Die Kristallstruktur von Perowskit und verwandter Verbindungen","Norsk Geologisk Tidsskrift","1925","8","","201","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011211","3.795","","3.795","","3.795","","90","","90","","90","","54.7","","","","","","","","","","","","from Zermatt, Swiss Alps","3","P m -3 m","-P 4 2 3","221","","Calcium titanate","Perovskite","- Ca O3 Ti -","- Ca O3 Ti -","- Ca O3 Ti -","1","0.0208333","","Barth, T","Die Kristallstruktur von Perowskit und verwandter Verbindungen","Norsk Geologisk Tidsskrift","1925","8","","201","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011212","3.825","","3.825","","3.825","","90","","90","","90","","56","","","","","","","","","","","","from Magnet Cove, Arkansas","5","P m -3 m","-P 4 2 3","221","","Calcium sodium titanium niobium oxide *","Perovskite niobian","- Ca0.7 Na0.3 Nb0.3 O3 Ti0.7 -","- Ca0.7 Na0.3 Nb0.3 O3 Ti0.7 -","- Ca0.7 Na0.3 Nb0.3 O3 Ti0.7 -","1","0.0208333","","Barth, T","Die Kristallstruktur von Perowskit und verwandter Verbindungen","Norsk Geologisk Tidsskrift","1925","8","","201","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011213","6.88","","6.88","","6.88","","103.42","","103.42","","103.42","","293.7","","","","","","","","","","","","from Jachymov, Bohemia","3","R 3 c :R","P 3* -2n","161","","Silver trithioarsenate(III)","Proustite","- Ag3 As S3 -","- Ag3 As S3 -","- Ag6 As2 S6 -","2","0.333333","","Hocart, R","Schema structural de la proustite et de la pyrargyrite.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1937","205","","68","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011214","7","","7","","7","","103.97","","103.97","","103.97","","306.2","","","","","","","","","","","","from Freiberg, Saxony","3","R 3 c :R","P 3* -2n","161","","Silver trithioantimonate(III)","Pyrargyrite","- Ag3 S3 Sb -","- Ag3 S3 Sb -","- Ag6 S6 Sb2 -","2","0.333333","","Hocart, R","Schema structural de la proustite et de la pyrargyrite.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1937","205","","68","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011215","5.42","0.03","5.42","0.03","11.3","0.3","90","","90","","90","","332","","","","","","","","","","","","from Dinas Castle tungsten mine, Cornwall and synthetic","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Bismuth tungsten oxide *","Russellite","- Bi4.5 O16 W1.6 -","- Bi4.5 O16 W1.6 -","- Bi4.5 O16 W1.6 -","1","0.03125","","Hey, M H; Bannister, F A","Russellite, a new British mineral","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1938","25","","41","55","10.1180/minmag.1938.25.161.01","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011216","4.793","","4.793","","4.417","","90","","90","","120","","87.9","","","","","","","","","","","","synthetic","2","P 3 1 2","P 3 2","149","","Iron nitride (2/1)","Siderazot","- Fe2 N -","- Fe2 N -","- Fe6 N3 -","3","0.5","","Hendricks, S. B.; Kosting, P. R.","The crystal structure of Fe2P, Fe2N, Fe3N and FeB Locality: synthetic Note: forms solid solution with siderazot","Zeitschrift fur Kristallographie","1930","74","","511","533","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011217","4.668","","4.668","","4.362","","90","","90","","120","","82.3","","","","","","","","","","","","synthetic","2","P 3 1 2","P 3 2","149","","Iron nitride (3/1)","Siderazot","- Fe3 N -","- Fe3 N -","- Fe6 N2 -","2","0.333333","","Hendricks, S B; Kosting, P R","The crystal structure of Fe2 P, Fe2 N, Fe3 N and Fe B.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","74","","511","533","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011218","11.14","","11.14","","11.14","","90","","90","","90","","1382.5","","","","","","","","","","","","from Mont Hamimat, Algeria","2","F d -3 m :1","F 4d 2 3 -1d","227","","Tetraantimony oxide","Senarmontite","- O6 Sb4 -","- O6 Sb4 -","- O48 Sb32 -","8","0.0416667","","Bozorth, R M","The crystal structures of the cubic forms of arsenious and antimonous oxides","Journal of the American Chemical Society","1923","45","","1621","1627","10.1021/ja01660a006","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:00:08",""
"1011219","5.37","0.005","5.37","0.005","5.37","0.005","90","","90","","90","","154.9","","","","","","","","","","","","from Mercur, Utah","3","P -4 3 m","P -4 2 3","215","","Copper(I) tetrathiovanadate","Sulvanite","- Cu3 S4 V -","- Cu3 S4 V -","- Cu3 S4 V -","1","0.0416667","","Pauling, L; Hultgren, R","The crystal structure of sulvanite Cu3 V S4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","84","","204","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011220","6.55","0.01","8.7","0.01","7.43","0.01","90","","119.72","","90","","367.7","","","","","","","","","","","","from Lindvikskollen, Krageroe, Norway","4","C 1 2/c 1 S","","15","","Calcium titanium silicate oxide","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","","","Zachariasen, W H","The crystal structure of titanite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","73","","7","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","77586","2020-10-21","18:00:00",""
"1011221","15.63","","15.63","","11.83","","90","","90","","90","","2890","","","","","","","","","","","","from Franklin, New Jersey and Sanford, Maine","7","P 4/n n c Z1","","126","","Decacalcium magnesium iron tetraaluminium pentakis(silicate) bis(disilicate) tetrahydroxide","Vesuvianite","- Al4 Ca10 Fe H4 Mg O38 Si9 -","- Al4 Ca10 Fe H6 Mg O38 Si9 -","- Al16 Ca40 Fe4 H24 Mg4 O152 Si36 -","4","","","Warren, B E; Modell, D I","The structure of vesuvianite Ca10 Al4 (Mg Fe)2 Si9 O34 (O H)4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","78","","422","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011222","9.77","","17.79999","","5.26","","90","","73.97","","90","","879.2","","","","","","","","","","","","from New York localities","5","I 1 2/m 1","-I 2y","12","","Dicalcium pentamagnesium catena-octasilicate dihydroxide","Tremolite","- Ca2 H2 Mg5 O24 Si8 -","- Ca2 H3 Mg5 O24 Si8 -","- Ca4 H6 Mg10 O48 Si16 -","2","0.25","","Warren, B E","The structure of tremolite H2 Ca2 Mg5 (Si O3)8","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1929","72","","42","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011223","5.16","","8.53","","4.92","","90","","90","","90","","216.6","","","","","","","","","","","","synthetic by precipitation","3","P 21 21 21","P 2ac 2ab","19","","Zinc hydroxide","Wuelfingite","- H2 O2 Zn -","- H2 O2 Zn -","- H8 O8 Zn4 -","4","1","","Corey, R B; Wyckoff, R W G","The crystal structure of zinc hydroxide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","86","","8","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011224","8.45","","12.9","","7.15","","90","","116.1","","90","","699.9","","","","","","","","","","","","from Mount Vesuvius,Italy","4","C 1 2/m 1","-C 2y","12","","Potassium tecto-alumotrisilicate *","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Taylor, W H","The structure of sanidine and other feldspars 2.56","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","85","","425","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011225","11.48","0.01","4.36","0.05","3.555","0.005","90","","90","","90","","177.9","","","","","","","","","","","","synthetic from melt","2","P m n 21","P 2ac -2","31","","Vanadium oxide","Shcherbianite","- O5 V2 -","- O5 V2 -","- O10 V4 -","2","0.5","","Ketelaar, J A A","Kristalstructuur en colloidchemische Eigenschappen van Vanadiumpentoxyd","Chemisch Weekblad","1936","33","","51","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011226","7.684","","7.684","","7.684","","108.02","","108.02","","108.02","","366.8","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Diberyllium silicate","Phenakite","- Be2 O4 Si -","- Be0.333333 O4 Si -","- Be2 O24 Si6 -","6","1","","Bragg, L W","The structure of phenacite Be2 Si O4","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1927","113","","642","657","10.1098/rspa.1927.0013","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011227","15.33","","7.28","","7.07","","90","","95.41","","90","","785.5","","","","","","","","","","","","from Cziklova, Banat","3","P 1 21/a 1","-P 2yab","14","","Calcium catena-trisilicate","Wollastonite 2M","- Ca3 O9 Si3 -","- Ca3 O9 Si3 -","- Ca12 O36 Si12 -","4","1","","Barnick, M","Strukturuntersuchungen des natuerlichen Wollastonits","Diss. Univ. Berlin","1936","1936","","1","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011228","5.84","","5.84","","5.84","","47.77","","47.77","","47.77","","100","","","","","","","","","","","","from Lake Co., Colorado","3","R -3 c RS","","167","","Manganese carbonate","Rhodochrosite","- C Mn O3 -","- C Mn O3 -","- C2 Mn2 O6 -","2","","","Wyckoff, R. W. G.","The crystal structures of some carbonates of the calcite group","American Journal of Science","1920","50","","317","360","10.2475/ajs.s4-50.299.317","","","","","","","","","","","","","","","","","","","","","has coordinates","208881","2020-10-21","18:00:00",""
"1011229","5.42","","5.42","","8.8","","90","","90","","120","","223.9","","","","","","","","","","","","from Langban, Sweden","4","P 63 m c","P 6c -2c","186","","Sodium tetraberyllium catena-antimonate tetraoxide","Swedenborgite","- Be4 Na O7 Sb -","- Be0.6667 Na O7 Sb -","- Be1.3334 Na2 O14 Sb2 -","2","0.166667","","Aminoff, G","On the structure and chemical composition of Swedenborgite","Kunglia Svenska Vetenskaps Akademiens Handlingar","1933","11","","1","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011230","4.76","","9.68","","5.819","","90","","90","","90","","268.1","","","","","","","","","","","","from Varutrask, Sweden","4","P b n m","-P 2c 2ab","62","","Manganese(III) iron(III) phosphate(V) (0.65/0.35/1)","Purpurite","- Fe0.35 Mn0.65 O4 P -","- Fe0.35 Mn0.65 O4 P -","- Fe1.4 Mn2.6 O16 P4 -","4","0.5","","Bjoerling, C O; Westgren, A","Minerals of the Varutrask pegmatite. IX. X-ray studies on triphylite, varulite, and their oxidation products","Geologiska Foereningens i Stockholm Foerhandlingar","1938","60","","67","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011231","8.17","","8.17","","8.17","","90","","90","","90","","545.3","","","","","","","","","","","","Skutterud, Norway","2","I m -3","-I 2 2 3","204","","Cobalt arsenide (1/3)","Skutterudite","- As3 Co -","- As3 Co -","- As24 Co8 -","8","0.166667","","Oftedal, I","The crystal structure of skutterudite and related minerals","Norsk Geologisk Tidsskrift","1926","8","","250","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011232","5.415","0.005","5.415","","5.415","","90","","90","","90","","158.8","","","","","","","","","","","","rich) - from St. Barbara, California","3","F -4 3 m","F -4 2 3","216","","Zinc iron sulfide (.7/.3/1)","Sphalerite (F","- Fe0.27 S Zn0.73 -","- Fe0.27 S Zn0.73 -","- Fe1.08 S4 Zn2.92 -","4","0.0416667","","de Jong, W F","Marmatit und christophit","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1927","66","","515","515","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011233","5.431","0.005","5.431","","5.431","","90","","90","","90","","160.2","","","","","","","","","","","","rich) - from Breitenbrunn, Saxony","3","F -4 3 m","F -4 2 3","216","","Zinc iron sulfide (.7/.3/1)","Sphalerite (F","- Fe0.34 S Zn0.66 -","- Fe0.34 S Zn0.66 -","- Fe1.36 S4 Zn2.64 -","4","0.0416667","","de Jong, W F","Marmatit und christophit","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1927","66","","515","515","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011234","5.724","0.005","5.724","","5.724","","90","","90","","90","","187.5","","","","","","","","","","","","from Carinthia, Austria","4","P 21 3","P 2ac 2ab 3","198","","Nickel arsenic antimony sulfide (1/0.1/0.9/1)","Ullmannite (As)","- As0.1 Ni S Sb0.9 -","- As0.1 Ni S Sb0.9 -","- As0.4 Ni4 S4 Sb3.6 -","4","0.333333","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011235","4.706","","4.706","","7.96","","90","","90","","120","","152.7","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Potassium aluminium sulfate(VI)","Steklite","- Al K O8 S2 -","- Al K O8 S2 -","- Al K O8 S2 -","1","0.166667","","Vegard, L; Maurstad, A","Die Kristallstruktur der wasserfreien Alaune R'R''' (S O4)2","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1011236","5.686","0.005","5.686","0.005","5.686","0.005","90","","90","","90","","183.8","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Calcium sulfide","Oldhamite","- Ca S -","- Ca S -","- Ca4 S4 -","4","0.0208333","","Oftedal, I","Die Gitterkonstanten von Ca O, Ca S, Ca Se, Ca Te.","Zeitschrift fuer Physikalische Chemie (Leipzig)","1927","128","","135","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011237","6.109","0.005","6.109","","6.109","","90","","90","","90","","228","","","","","","","","","","","","synthetic","2","P a -3","-P 2ac 2ab 3","205","","Manganese perdisulfide","Hauerite","- Mn S2 -","- Mn S2 -","- Mn4 S8 -","4","0.166667","","Offner, F","A redetermination of the parameter for Hauerite, Mn S2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","89","","182","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011238","18.2","","8.86","","5.2","","90","","90","","90","","838.5","","","","","","","","","","","","from Mt. Dore, Auvergne, France","4","P b c a","-P 2ac 2ab","61","","Magnesium iron(II) silicate *","Hypersthene","- Fe0.3 Mg0.7 O3 Si -","- Fe0.3 Mg0.7 O3 Si -","- Fe4.8 Mg11.2 O48 Si16 -","16","2","","Warren, B E; Modell, D I","The Structure of Enstatite, Mg Si O3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","1","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011239","6.1","","6.1","","6.1","","90","","90","","90","","227","","","","","","","","","","","","synthetic","2","F -4 3 m","F -4 2 3","216","","Copper(I) iodide","Marshite","- Cu I -","- Cu I -","- Cu4 I4 -","4","0.0416667","","Wyckoff, R W G; Posnjak, E","The crystal structures of the cuprous halides","Journal of the American Chemical Society","1922","44","","30","36","10.1021/ja01422a005","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011240","5.43","","5.43","","5.43","","55.28","","55.28","","55.28","","100.8","","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","Iron(III) oxide","Hematite","- Fe2 O3 -","- Fe2 O3 -","- Fe4 O6 -","2","0.166667","","Pauling, L; Hendricks, S B","The Structure of Hematite","Journal of the American Chemical Society","1925","47","","781","790","10.1021/ja01680a027","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1011241","8.36","0.01","8.36","0.01","8.36","0.01","90","","90","","90","","584.3","","","","","","","","","","","","synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","Magnesium diiron(III) oxide","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Barth, T F W; Posnjak, E","Spinel structures: with and without variate atom equipoints","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","82","","325","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011242","9.4","0.03","9.4","0.03","6.93","0.03","90","","90","","120","","530.3","","","","","","","","","","","","synthetic","4","P 63/m","-P 6c","176","","Pentacalcium tris(phosphate) hydroxide","Hydroxylapatite","- Ca5 H O13 P3 -","- Ca5 H O13 P3 -","- Ca10 H2 O26 P6 -","2","0.166667","","Hendricks, S B; Jefferson, M E; Mosley, V M","The Crystal Structures of Some Natural and Synthetic Apatite-Like Substances","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","81","","352","369","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1011243","10.44","","10.44","","10.44","","90","","90","","90","","1137.9","","","","","","","","","","","","synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lead diantimonate","Bindheimite","- O7 Pb2 Sb2 -","- O7 Pb2 Sb2 -","- O56 Pb16 Sb16 -","8","0.0416667","","Natta, G; Baccaredda, M","Tetrossido di antimonio e antimoniati","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","85","","271","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011244","9.1","","9.1","","9.1","","90","","90","","90","","753.6","","","","","","","","","","","","from Niedermendig, Laacher See, Eifel, Germany","6","P -4 3 n","P -4n 2 3","218","","Hexasodium dicalcium hexaaluminium hexasilicate disulfate *","Hauyne","- Al6 Ca2 Na6 O32 S2 Si6 -","- Al6 Ca2 Na6 O32 S2 Si6 -","- Al6 Ca2 Na6 O32 S2 Si6 -","1","0.0416667","","Machatschki, F","Kristallstruktur von Hauyn und Nosean","Zentralblatt fuer Mineralogie und Geologie, A","1934","1934","","136","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011245","8.36","0.005","8.36","0.005","8.36","0.005","90","","90","","90","","584.3","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Magnesium diiron(III) oxide","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Passerini, L","Ricerche sugli Spinelli.- II- I Composti. Cu Al2 O4, Mg Al2 O4 , Mg Fe2 O4, Zn Al2 O4, Zn Cr2 O4, Zn Fe2 O4, Mn Fe2 O4","Gazzetta Chimica Italiana","1930","60","","389","399","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011246","5.2","","8.92","","10.25","","90","","100","","90","","468.2","","","","","","","","","","","","from Toller Graben, Elbingerode, Harz, Germany","4","C 1 m 1","C -2y","8","","Aluminium silicate hydroxide *","Halloysite","- Al2 H8 O11 Si2 -","- Al2 H8 O11 Si2 -","- Al4 H16 O22 Si4 -","2","0.5","","Mehmel, M","Ueber die Struktur von Halloysit und Metahalloysit.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011247","5.15","","8.9","","7.57","","90","","100","","90","","341.7","","","","","","","","","","heating halloysite to 378 K","","by heating halloysite to 378 K","4","C 1 m 1","C -2y","8","","Aluminium silicate hydroxide *","Metahalloysite","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al4 H8 O18 Si4 -","2","0.5","","Mehmel, M","Ueber die Struktur von Halloysit und Metahalloysit.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011248","10.19","0.02","10.19","0.02","10.19","0.02","90","","90","","90","","1058.1","","","","","","","","","","","","from Binnenthal, Wallis, Switzerland","3","I -4 3 m","I -4 2 3","217","","Copper arsenic sulfur (12/4/13)","Tennantite","- As4 Cu12 S13 -","- As4 Cu12 S13 -","- As8 Cu24 S26 -","2","0.0416667","","Pauling, L; Neumann, E W","The Crystal Structure of Binnite, (Cu, Fe)12 As4 S13 and the Chemical Composition and Structure of Minerals of the Tetrahedrite Group.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","54","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011249","9.9","0.03","7.15","0.03","6.1","0.03","90","","94","0.33","90","","430.7","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Magnesium chloride hexahydrate","Bischofite","- Cl2 H12 Mg O6 -","- Cl2 H12 Mg O6 -","- Cl4 H24 Mg2 O12 -","2","0.25","","Andress, K R; Gundermann, J","Die Struktur von Magnesiumchlorid- und Magnesiumbromidhexahydrat.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","87","","345","369","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011250","4.049","","4.049","","4.049","","90.3","","90.3","","90.3","","66.4","","","","","","","","","","","","","2","R 3 2 :R","P 3* 2","155","","Trinickel disulfide *","Heazlewoodite","- Ni3 S2 -","- Ni3 S2 -","- Ni3 S2 -","1","0.166667","","Westgren, A","Die Kristallstruktur von Ni3 S2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","239","","82","84","10.1002/zaac.19382390109","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011251","5.81","","5.81","","5.81","","90","","90","","90","","196.1","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Cadmium sulfide","Hawleyite","- Cd S -","- Cd S -","- Cd4 S4 -","4","0.0416667","","Mueller, W J; Loeffler, G","Zur Kenntnis der Faerbung von gefaelltem Cadmiumsulfid","Angewandte Chemie (German Edition)","1933","46","","538","539","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011252","7.846","","7.846","","5","","90","","90","","90","","307.8","","","","","","","","","","","","from Franklin, New Jersey","4","P -4 21 m","P -4 2ab","113","","Calcium zinc silicate *","Hardystonite","- Ca2 O7 Si2 Zn -","- Ca2 O7 Si2 Zn -","- Ca4 O14 Si4 Zn2 -","2","0.25","","Warren, B E; Trautz, O R","The Structure of Hardystonite Ca2 Zn Si2 O7","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","525","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011253","3.98","0.02","4.33","0.02","11.18","0.02","90","","90","","90","","192.7","","","","","","","","","","","","synthetic, precipitated from solution","2","P m c n","-P 2n 2a","62","","Tin sulfide","Herzenbergite","- S Sn -","- S Sn -","- S4 Sn4 -","4","0.5","","Hofmann, W","Ergebnisse der Strukturbestimmung komplexer Sulfide. I: SnS und PbSnS2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","161","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011254","13.82","0.005","13.82","0.005","13.82","0.005","90","","90","","90","","2639.5","","","","","","","","","","","","from Zuni mine, San Juan Co., Colorado","6","F -4 3 m","F -4 2 3","216","","Aluminium silicate hydroxide fluoride chloride *","Zunyite","- Al13 Cl F9 H9 O29 Si5 -","- Al13 Cl F9 H0.375 O29 Si5 -","- Al52 Cl4 F36 H1.5 O116 Si20 -","4","0.0416667","","Pauling, L","The crystal structure of zunyite, Al13 Si5 O20 ((O H), F)18 Cl","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","84","","442","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011255","18.29999","0.1","18.59999","0.1","6.57","0.02","90","","90","","90","","2236.3","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","Sodium tecto-alumosilicate hydrate *","Natrolite","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","","Taylor, W H; Meek, C A; Jackson, W W","The structures of fibrous zeolites","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","84","","373","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011256","13","","13","","6.6","","90","","90","","90","","1115.4","","","","","","","","","","","","from Old Kilpatrick, Dumbartonshire, Scotland","6","P b n m","-P 2c 2ab","62","","Sodium calcium tecto-alumosilicate hydrate *","Thomsonite","- Al5 Ca2 H12 Na O26 Si5 -","- Al5 Ca2 H14 Na O20 Si5 -","- Al20 Ca8 H56 Na4 O80 Si20 -","4","0.5","","Taylor, W H; Meek, C A; Jackson, W W","The structures of fibrous zeolites","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","84","","373","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011257","8.38","","10.7","","5.11","","90","","90","","90","","458.2","","","","","","","","","","","","from Altenberg, Harz, Germany","4","I m m 2","I 2 -2","44","","Tetrazinc dihydroxide hydrate disilicate *","Hemimorphite","- H4 O10 Si2 Zn4 -","- H5 O10 Si2 Zn4 -","- H10 O20 Si4 Zn8 -","2","0.25","","Ito, T; West, J","The Structure of Hemimorphite (H2 Zn2 Si O5)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","83","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011258","3.22","","3.22","","5.2","","90","","90","","120","","46.7","","","","","","","","","","","","synthetic","2","P 63 m c","P 6c -2c","186","","Zinc oxide","Zincite","- O Zn -","- O Zn -","- O2 Zn2 -","2","0.166667","","Aminoff, G","Ueber Lauephotogramme und Struktur von Zinkit.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1921","56","","495","505","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011259","3.351","","3.351","","5.226","","90","","90","","120","","50.8","","","","","","","","","","","","synthetic","2","P 63 m c","P 6c -2c","186","","Zinc oxide","Zincite","- O Zn -","- O Zn -","- O2 Zn2 -","2","0.166667","","Weber, L","Die Struktur von Zn O.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1923","58","","398","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011260","5.82","","5.82","","5.82","","90","","90","","90","","197.1","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Cadmium sulfide - β","Hawleyite","- Cd S -","- Cd S -","- Cd4 S4 -","4","0.0416667","","Ulrich, F.; Zachariasen, W.","XIV. Über die Kristallstruktur des α- und β-CdS, sowie des Wurtzits","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1925","62","1-6","260","273","10.1524/zkri.1925.62.1.260","","","","","","","","","","","","","","","","","","","","","has coordinates","200075","2020-10-21","18:00:00",""
"1011261","6.58","","6.58","","5.93","","90","","90","","90","","256.7","","","","","","","","","","","","synthetic","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Zirconium silicate","Zircon","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","0.125","","Hassel, O","Die Kristallstruktur einige Verbindungen von der Zusammensetzung M R O4. I.Zirkon Zr Si O4.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","63","","247","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011262","5.762","","5.762","","9.439","","90","","90","","90","","313.4","","","","","","","","","","","","from Langban, Sweden","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","Manganese dimanganese(III) oxide","Hausmannite","- Mn3 O4 -","- Mn3 O4 -","- Mn12 O16 -","4","0.125","","Aminoff, G","Ueber die Kristallstruktur von Hausmannit (Mn Mn2 O4).","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1926","64","","475","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011263","6.6","","6.6","","5.88","","90","","90","","90","","256.1","","","","","","","","","","","","from Chantaboon, Siam","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Zirconium silicate","Zircon","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","0.125","","Wyckoff, W G; Hendricks, S B","Die Kristallstruktur von Zirkon und die Kriterien fuer spezielle Lagen in tetragonalen Raumgruppen.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1927","66","","73","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011264","9.35","0.02","9.35","0.02","9.35","0.02","90","","90","","90","","817.4","","","","","","","","","","","","from Simpson, Utah, USA","3","I 21 3","I 2b 2c 3","199","","Iron manganese(IV) oxide","Bixbyite C","- Fe Mn O3 -","- Fe Mn O3 -","- Fe16 Mn16 O48 -","16","0.666667","","Zachariasen, W","Ueber die Kristallstruktur von Bixbyit, sowie vom kuenstlichen Mn2 O3.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1928","67","","455","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011265","6.58","","6.58","","5.93","","90","","90","","90","","256.7","","","","","","","","","","","","from Ural, USSR","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Zirconium silicate","Zircon","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","0.125","","Binks, W","The crystalline structure of zircon.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1926","21","","176","187","10.1180/minmag.1926.021.115.06","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011266","9.365","0.02","9.365","0.02","9.365","0.02","90","","90","","90","","821.3","","","","","","","","","","","","from Simpson, Utah","3","I a -3","-I 2b 2c 3","206","","Iron manganese(IV) oxide","Bixbyite","- Fe Mn O3 -","- Fe Mn O3 -","- Fe16 Mn16 O48 -","16","0.333333","","Pauling, L; Shappell, M D","The Crystal Structure of Bixbyite and the C-Modification of the Sesquioxides","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","128","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011267","5.431","0.02","5.431","0.02","5.431","0.02","55.23","0.13","55.23","0.13","55.23","0.13","100.7","","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","Iron(III) oxide","Hematite","- Fe2 O3 -","- Fe2 O3 -","- Fe4 O6 -","2","0.166667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO3","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011268","9.75","0.01","12.204","0.02","4.429","0.01","90","","90","","90","","527","","","","","","","","","","","","from Langesundfjord, Norway","4","P b c a","-P 2ac 2ab","61","","Diberyllium borate hydroxide","Hambergite","- B Be2 H O4 -","- B Be2 H O4 -","- B8 Be16 H8 O32 -","8","1","","Zachariasen, W H","The crystalline structure of Hambergite Be2 B O3 (O H)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","76","","289","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011269","9.39","","9.39","","9.39","","94.4","","94.4","","94.4","","820.2","","","","","","","","","","","","from Oregon or Greenland or Bohemia","5","R -3 m :R","-P 3* 2","166","","Dicalcium tecto-tetraalumooctasilicate dodecahydrate","Chabazite","- Al4 Ca2 H24 O36 Si8 -","- Al3.9996 Ca2 H28 O36 Si8.0004 -","- Al3.9996 Ca2 H28 O36 Si8.0004 -","1","0.0833333","","Wyart, J","Recherches sur les zeolites","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1933","56","","81","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011270","4.8","","7.68","","9.8","","90","","90.1","","90","","361.3","","","","","","","","","","","","from Obernham, Maine, USA","6","P 1 21/c 1","-P 2ybc","14","","Calcium beryllium hydroxide phosphate difluoride","Herderite","- Be Ca F2 H O5 P -","","","4","1","","Strunz, H","Datolith und Herderit","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","93","","146","150","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1011271","8.168","0.007","8.168","","8.168","","90","","90","","90","","544.9","","","","","","","","","","","","","3","","","","","Potassium hexafluorosilicate","Hieratite","- F6 K2 Si -","","","1","","","Ketelaar, J. A. A.","Die Kristallstruktur von K-, Rb-, Cs- und Tl-Silicofluorid und von Li Mn O~4~ (H~2~ O)~3~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","155","156","10.1524/zkri.1935.92.1.155","","","","","","","","","","","","","","","","","","","","","","189058","2020-10-21","18:00:00",""
"1011272","6.82","","6.82","","6.82","","61.47","","61.47","","61.47","","231.7","","","","","","","","","","","","","5","R 3 m :R","P 3* -2","160","","Strontium trialuminium heptahydroxide diphosphate","Goyazite","- Al3 H7 O14 P2 Sr -","","","1","0.166667","","Gossner, B","Ueber Sulfate und Phosphate mit aehnlichem Kristallgitter","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","488","492","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1011273","9.8","","14.1","","8.66","","90","","55.17","","90","","982.3","","","","","","","","","","","","from Strontian, Ecosse, from the Collection of the Museum na","5","P 1 21 1","P 2yb","4","","Barium alumosilicate hydrate *","Harmotome","- Al2 Ba H12 O22 Si6 -","","","2","1","","Sekanina, J; Wyart, J","Sur l'harmotome","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1937","60","","139","145","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1011274","9.6","","11.4","","16.84","","90","","69","","90","","1720.6","","","","","","","","","","","","from Scawt Hill, Co. Antrim","4","P 1 21 1","P 2yb","4","","Tetracalcium dialuminium oxide dodecahydrate","Hydrocalumite","- Al2 Ca4 H24 O19 -","","","4","2","","Tilley, C E; Megaw, H D; Hey, M H","Hydrocalumite ((Ca O)4 (Al2 O3) (H2 O)12), a new mineral from Scawt Hill, Co. Antrim.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1934","23","","607","615","10.1180/minmag.1934.023.146.04","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1011275","16.019","","16.019","","9.768","","90","","90","","120","","2170.7","","","","","","","","","","","","synthetic","4","P -3 1 m","-P 3 2","162","","Nickel hexaaquahexoxoantimonate hexahydrate","Bottinoite","- H24 Ni O18 Sb2 -","- H2 Ni O3.83333 Sb2 -","- H12 Ni6 O23 Sb12 -","6","0.5","","Beintema, J","On the crystal-structure of magnesium- and nickelantimonate.","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1936","39","","241","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011276","8.41","0.01","8.41","0.01","8.41","0.01","90","","90","","90","","594.8","","","","","","","","","","","","synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","Dimagnesium titanium oxide","Qandilite","- Mg2 O4 Ti -","- Mg2 O4 Ti -","- Mg16 O32 Ti8 -","8","0.0416667","","Barth, T F W; Posnjak, E","Spinel structures: with and without variate atom equipoints","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","82","","325","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011277","5.92","","5.92","","5.92","","90","","90","","90","","207.5","","","","","","","","","","","","","2","P n -3 m :1","P 4n 2 3 -1n","224","","Magnesium phosphide","","- Mg3 P2 -","- Mg3 P2 -","- Mg6 P4 -","2","0.0416667","","Passerini, L","Struttura cristallina di alcuni fosfuri di metalli bivalenti e trivalenti","Gazzetta Chimica Italiana","1928","58","","655","664","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011278","8.28","0.005","8.28","0.005","8.28","0.005","90","","90","","90","","567.7","","","","","","","","","","","","synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","Zinc dichromium oxide","Zincochromite","- Cr2 O4 Zn -","- Cr2 O4 Zn -","- Cr16 O32 Zn8 -","8","0.0416667","","Passerini, L","Ricerche sugli Spinelle.- II. I composti. Cu Al2 O4, Mg Al2 O4, Mg Fe2 O4, Zn Al2 O4, Zn Cr2 O4, Zn Fe2 O4, Mn Fe2 O4","Gazzetta Chimica Italiana","1930","60","","389","399","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011279","10.23","","10.23","","10.23","","90","","90","","90","","1070.6","","","","","","","","","","","","synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","Silver catena-antimonate","Stetefeldite","- Ag O3 Sb -","- Ag O3 Sb -","- Ag16 O48 Sb16 -","16","0.0833333","","Schrewelius, N","Roentgenuntersuchung der Verbindungen Na Sb (O H)6, Na Sb F6, Na Sb O3 und gleichartiger Stoffe","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","238","","241","254","10.1002/zaac.19382380209","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011280","6.24","","6.43","","4.2","","90","","90","","90","","168.5","","","","","","","","","","","","synthetic","2","P n n m","-P 2 2n","58","","Calcium chloride","Hydrophilite","- Ca Cl2 -","- Ca Cl2 -","- Ca2 Cl4 -","2","0.25","","van Bever, A K; Nieuwenkamp, W","Die Kristallstruktur von Calciumchlorid, Ca Cl2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","374","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011281","10.39","","10.39","","10.39","","90","","90","","90","","1121.6","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Lutetium oxide","","- Lu2 O3 -","- Lu2 O3 -","- Lu32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011282","4.78","","4.78","","4.78","","90","","90","","90","","109.2","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Sodium fluoride","Villiaumite","- F Na -","- F Na -","- F4 Na4 -","4","0.0208333","","Bragg, W L","Crystal structure of Na F","Nature (London)","1920","105","","646","648","10.1038/105646a0","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011283","15.19","","8.67","","4.53","","90","","90","","90","","596.6","","","","","","","","","","","","from Pisek, Bohemia","4","C c m 21","C 2c -2c","36","","Tetraberyllium disilicate dihydroxide","Bertrandite","- Be4 H2 O9 Si2 -","- Be4 H3 O9 Si2 -","- Be16 H12 O36 Si8 -","4","0.5","","Ito, T; West, J","The structure of bertrandite (H2 Be4 Si2 O9)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","83","","384","393","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011284","12.1","","12.1","","12.1","","90","","90","","90","","1771.6","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Magnesium borate chloride *","Boracite","- B14 Cl2 Mg6 O26 -","- B14 Cl2 Mg6 O26 -","- B56 Cl8 Mg24 O104 -","4","0.0416667","","Mehmel, M","Kristallstrukturelle Untersuchungen an Borazit","Fortschritte der Mineralogie","1932","17","","436","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011285","6.016","","5.428","","3.366","","90","","90","","90","","109.9","","","","","","","","","","","","synthetic at 1003 K for 1d","2","P b n m","-P 2c 2ab","62","","Iron arsenide (1/1)","Westerveldite","- As Fe -","- As Fe -","- As4 Fe4 -","4","0.5","","Fylking, K E","Phosphides and arsenides with modified nickel-arsenide structure","Arkiv foer Kemi, Mineralogi och Geologi, B","1934","11","48","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011286","3.14","","3.14","","12.53","","90","","90","","120","","107","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Molybdenum(IV) sulfide","Molybdenite 2H","- Mo S2 -","- Mo S2 -","- Mo2 S4 -","2","0.0833333","","Hassel, O","Ueber die Kristallstruktur des Molybdaenglanzes.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1925","61","","92","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011287","10.86","0.02","10.86","0.02","10.86","0.02","90","","90","","90","","1280.8","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Europium oxide","","- Eu2 O3 -","- Eu2 O3 -","- Eu32 O48 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen A B O3","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011288","10.81","0.02","10.81","0.02","10.81","0.02","90","","90","","90","","1263.2","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Gadolinium oxide","","- Gd2 O3 -","- Gd2 O3 -","- Gd32 O48 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen A B O3","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011289","10.72","0.02","10.72","0.02","10.72","0.02","90","","90","","90","","1231.9","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Terbium oxide","","- O3 Tb2 -","- O3 Tb2 -","- O48 Tb32 -","16","0.666667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011290","5.76","","5.76","","4.77","","90","","90","","120","","137.1","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Diammonium hexafluorosilicate","Bararite","- F6 H8 N2 Si -","- F6 H8 N2 Si -","- F6 H8 N2 Si -","1","0.0833333","","Gossner, B; Kraus, O","Das Kristallgitter von Ammoniumhexafluorosilikat (N H4)2 Si F6","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","223","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011291","11.503","0.01","4.369","0.005","3.557","0.005","90","","90","","90","","178.8","","","","","","","","","","","","synthetic from melt","2","P m n 21","P 2ac -2","31","","Vanadium oxide","Shcherbianite","- O5 V2 -","- O5 V2 -","- O10 V4 -","2","0.5","","Ketelaar, J A A","Die Kristallstruktur des Vanadiumpentoxyds","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","9","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1011292","9.6","","9.6","","9.6","","90","","90","","90","","884.7","","","","","","","","","","","","","3","P n -3 :1","P 2 2 3 -1n","201","","Potassium catena-antimonate","","- K O3 Sb -","- K O3 Sb -","- K12 O36 Sb12 -","12","0.5","","Spiegelberg, P","X-ray studies on potassium antimonates","Arkiv foer Kemi, Mineralogi och Geologi, A","1940","14","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011293","6.16","","6.16","","6.16","","33.43","","33.43","","33.43","","63.2","","","","","","","","","","","","","2","R -3 m :R","-P 3* 2","166","","Cobalt chloride","","- Cl2 Co -","- Cl2 Co -","- Cl2 Co -","1","0.0833333","","Grime, H; Santos, J A","The structure and colour of anhydrous cobalt chloride Co Cl2, at room and very low temperatures","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","136","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011294","7.45","","7.45","","7.88","","90","","90","","90","","437.4","","","","","","","","","","","","synthetic by slow evaporation","5","P 42/m n m","-P 4n 2n","136","","Dipotassium copper tetrachloride dihydrate","Mitscherlichite","- Cl4 Cu H4 K2 O2 -","- Cl4 Cu H4 K2 O2 -","- Cl8 Cu2 H8 K4 O4 -","2","0.125","","Chrobak, L","Quantitative spectrometric studies of ammonium and of potassium cupric chloride dihydrate (N H4)2 Cu Cl4 (H2 O)2 and K2 Cu Cl4 (H2 O)2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","35","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","296116","2024-11-26","15:33:35",""
"1011295","10.721","","5.243","","6.44","","90","","90","","90","","362","","","","","","","","","","","","synthetic from solution at 346 K","4","P c a 21","P 2c -2ac","29","","Sodium carbonate hydrate","Thermonatrite","- C H2 Na2 O4 -","- C H2 Na2 O4 -","- C4 H8 Na8 O16 -","4","1","","Harper, J P","Crystal structure of sodium carbonate monohydrate, Na2 C O3 H2 O","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","266","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1011296","5.644","0.003","5.644","","5.644","","90","","90","","90","","179.8","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Yttrium fluoride","","- F3 Y -","- F3 Y -","- F9 Y3 -","3","0.0625","","Nowacki, W","Die Kristallstruktur des kubischen Yttriumfluorids Y F3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1938","100","","242","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011297","11.86","","12.08","","6.81","","90","","90","","90","","975.7","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Nickel sulfate(VI) heptahydrate","Morenosite","- H14 Ni O11 S -","- H14 Ni O11 S -","- H56 Ni4 O44 S4 -","4","1","","Beevers, C A; Schwartz, C M","The crystal structure of nickel sulphate heptahydrate Ni S O4 (H2 O)7","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","91","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011298","3.627","","3.627","","5.973","","90","","90","","90","","78.6","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Iron arsenide (2/1)","","- As Fe2 -","- As Fe2 -","- As2 Fe4 -","2","0.125","","Elander, M; Haegg, G; Westgren, A","The crystal structure of Cu2 Sb and Fe2 As","Arkiv foer Kemi, Mineralogi och Geologi, B","1935","12","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011299","4.712","0.003","4.712","0.003","4.712","0.003","90","","90","","90","","104.6","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","Vanadium silicide (3/1)","","- Si V3 -","- Si V3 -","- Si2 V6 -","2","0.0416667","","Wallbaum, H J","Ueber das Vanadiumsilicid, V3 Si","Zeitschrift fuer Metallkunde","1939","31","","362","362","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011300","3.988","","3.988","","3.988","","90","","90","","90","","63.4","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ammonium bromide","","- Br H4 N -","- Br H4 N -","- Br H4 N -","1","0.0208333","","Bartlett, G; Langmuir, I","The crystal structure of the ammonium halides above and below the transition temperature","Journal of the American Chemical Society","1921","43","","84","91","10.1021/ja01434a010","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011301","5.42","","5.42","","5.42","","90","","90","","90","","159.2","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Aluminium phosphide","","- Al P -","- Al P -","- Al4 P4 -","4","0.0416667","","Passerini, L","Struttura cristallina di alcuni fosfuri di metalli bivalenti e trivalenti","Gazzetta Chimica Italiana","1928","58","","655","664","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011302","10.67","","10.67","","10.67","","90","","90","","90","","1214.8","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Dibarium nickel nitrate(III)","","- Ba2 N6 Ni O12 -","- Ba2 N6 Ni O12 -","- Ba8 N24 Ni4 O48 -","4","0.0208333","","Ferrari, A; Curti, R","Ricerche chimiche e cristallografiche sui nichelnitriti di metalli bivalenti","Gazzetta Chimica Italiana","1933","63","","499","506","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011303","10.54","","10.54","","10.54","","90","","90","","90","","1170.9","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Distrontium nickel nitrate(III)","","- N6 Ni O12 Sr2 -","- N6 Ni O12 Sr2 -","- N24 Ni4 O48 Sr8 -","4","0.0208333","","Ferrari, A; Curti, R","Ricerche chimiche e cristallografiche sui nichelnitriti di metalli bivalenti","Gazzetta Chimica Italiana","1933","63","","499","506","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011304","10.55","","10.55","","10.55","","90","","90","","90","","1174.2","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Dilead nickel nitrate(III)","","- N6 Ni O12 Pb2 -","- N6 Ni O12 Pb2 -","- N24 Ni4 O48 Pb8 -","4","0.0208333","","Ferrari, A; Curti, R","Ricerche chimiche e cristallografiche sui nichelnitriti di metalli bivalenti","Gazzetta Chimica Italiana","1933","63","","499","506","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011305","4.29","","4.29","","4.29","","90","","90","","90","","79","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Caesium hydrogensulfide","","- Cs H S -","- Cs H S -","- Cs H S -","1","0.0208333","","West, C D","The crystal structures of some alkali hydrosulfides and monosulfides.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","97","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011306","6.05","","6.05","","6.05","","90","","90","","90","","221.4","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Sodium hydrogensulfide - HT","","- H Na S -","- H Na S -","- H4 Na4 S4 -","4","0.0208333","","West, C D","The crystal structures of some alkali hydrosulfides and monohydrides.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","97","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","287670","2023-11-17","14:28:49",""
"1011307","6.6","","6.6","","6.6","","90","","90","","90","","287.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Potassium hydrogensulfide - HT","","- H K S -","- H K S -","- H4 K4 S4 -","4","0.0208333","","West, C. D.","The crystal structures of some alkali hydrosulfides and monosulfides.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","97","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","287670","2023-11-17","14:28:49",""
"1011308","6.93","","6.93","","6.93","","90","","90","","90","","332.8","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rubidium hydrogensulfide","","- H Rb S -","- H Rb S -","- H4 Rb4 S4 -","4","0.0208333","","West, C D","The crystal structures of some alkali hydrosulfides and monosulfides.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","97","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011309","7.35","","7.35","","7.35","","90","","90","","90","","397.1","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Potassium sulfide","","- K2 S -","- K2 S -","- K8 S4 -","4","0.0208333","","West, C D","The crystal structures of some alkali hydrosulfides and monosulfides.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","97","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011310","4.145","0.005","4.145","0.005","4.145","0.005","90","","90","","90","","71.2","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Calcium boride (1/6)","","- B6 Ca -","- B6 Ca -","- B6 Ca -","1","0.0208333","","Pauling, L; Weinbaum, S","The structure of calcium boride, Ca B6","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","87","","181","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011311","9.729","0.02","9.729","0.02","9.729","0.02","90","","90","","90","","920.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Dipotassium hexachloroosmate(IV)","","- Cl6 K2 Os -","- Cl6 K2 Os -","- Cl24 K8 Os4 -","4","0.0208333","","McCullough, J D","The crystal structure of potassium chlorosmate, K2 Os Cl6, and of potassium bromosmate, K2 Os Br6","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","143","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011312","10.3","0.03","10.3","0.03","10.3","0.03","90","","90","","90","","1092.7","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Dipotassium hexabromoosmate(IV)","","- Br6 K2 Os -","- Br6 K2 Os -","- Br24 K8 Os4 -","4","0.0208333","","McCullough, J D","The crystal structure of potassium chlorosmate, K2 Os Cl6, and of potassium bromosmate, K2 Os Br6","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","143","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011313","3.742","","3.742","","3.742","","90","","90","","90","","52.4","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Rubidium chloride - $-alpha","","- Cl Rb -","- Cl Rb -","- Cl Rb -","1","0.0208333","","Wagner, G; Lippert, L","Ueber polymorphe Umwandlungen bei einfachen Ionengittern. II. Versuche zur Umwandlung: Na Cl vers. Cs Cl - Gitter.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1936","33","","297","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011314","5.12952","0.00004","5.12952","0.00004","5.12952","0.00004","90","","90","","90","","135","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Lithium chloride","","- Cl Li -","- Cl Li -","- Cl4 Li4 -","4","0.0208333","","Ievin'sh, A F; Straumanis, M; Karlsons, K","Praezisionsbestimmung von Gitterkonstanten hygroskopischer Verbindungen (Li Cl, Na Br).","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1938","40","","146","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011315","5.96095","0.00005","5.96095","0.00005","5.96095","0.00005","90","","90","","90","","211.8","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sodium bromide","","- Br Na -","- Br Na -","- Br4 Na4 -","4","0.0208333","","Ievin'sh, A F; Straumanis, M; Karlsons, K","Praezisionsbestimmung von Gitterkonstanten hygroskopischer Verbindungen (Li Cl, Na Br).","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1938","40","","146","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011316","4.4","","4.4","","4.4","","90","","90","","90","","85.2","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Titanium(III) nitride","Osbornite","- N Ti -","- N Ti -","- N4 Ti4 -","4","0.0208333","","Becker, K; Ebert, F","Die Kristallstrukturen einiger binaerer Carbide und Nitride.","Zeitschrift fuer Physik","1925","31","","268","272","10.1007/BF02980580","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011317","4.44","","4.44","","4.44","","90","","90","","90","","87.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Scandium(III) nitride","","- N Sc -","- N Sc -","- N4 Sc4 -","4","0.0208333","","Becker, K; Ebert, F","Die Kristallstrukturen einiger binaerer Carbide und Nitride.","Zeitschrift fuer Physik","1925","31","","268","272","10.1007/BF02980580","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011318","4.28","","4.28","","4.28","","90","","90","","90","","78.4","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Vanadium(III) nitride","Uakitite","- N V -","- N V -","- N4 V4 -","4","0.0208333","","Becker, K; Ebert, F","Die Kristallstrukturen einiger binaerer Carbide und Nitride.","Zeitschrift fuer Physik","1925","31","","268","272","10.1007/BF02980580","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011319","4.41","","4.41","","4.41","","90","","90","","90","","85.8","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Niobium(III) nitride","","- N Nb -","- N Nb -","- N4 Nb4 -","4","0.0208333","","Becker, K; Ebert, F","Die Kristallstrukturen einiger binaerer Carbide und Nitride.","Zeitschrift fuer Physik","1925","31","","268","272","10.1007/BF02980580","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011320","4.6","","4.6","","4.6","","90","","90","","90","","97.3","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Titanium carbide","Khamrabaevite","- C Ti -","- C Ti -","- C4 Ti4 -","4","0.0208333","","Becker, K; Ebert, F","Die Kristallstrukturen einiger binaerer Carbide und Nitride.","Zeitschrift fuer Physik","1925","31","","268","272","10.1007/BF02980580","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1011321","4.3","","4.3","","4.3","","90","","90","","90","","79.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Vanadium(IV) carbide","","- C V -","- C V -","- C4 V4 -","4","0.0208333","","Becker, K; Ebert, F","Die Kristallstrukturen einiger binaerer Carbide und Nitride.","Zeitschrift fuer Physik","1925","31","","268","272","10.1007/BF02980580","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1011322","4.76","","4.76","","4.76","","90","","90","","90","","107.9","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Zirconium carbide","","- C Zr -","- C Zr -","- C4 Zr4 -","4","0.0208333","","Becker, K; Ebert, F","Die Kristallstrukturen einiger binaerer Carbide und Nitride.","Zeitschrift fuer Physik","1925","31","","268","272","10.1007/BF02980580","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1011323","4.4","","4.4","","4.4","","90","","90","","90","","85.2","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Niobium carbide (1/1)","","- C Nb -","- C Nb -","- C4 Nb4 -","4","0.0208333","","Becker, K; Ebert, F","Die Kristallstrukturen einiger binaerer Carbide und Nitride.","Zeitschrift fuer Physik","1925","31","","268","272","10.1007/BF02980580","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1011324","4.49","","4.49","","4.49","","90","","90","","90","","90.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Tantalum(IV) carbide","","- C Ta -","- C Ta -","- C4 Ta4 -","4","0.0208333","","Becker, K; Ebert, F","Die Kristallstrukturen einiger binaerer Carbide und Nitride.","Zeitschrift fuer Physik","1925","31","","268","272","10.1007/BF02980580","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1011325","3.796","","3.796","","3.796","","90","","90","","90","","54.7","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Beryllium oxide","","- Be O -","- Be O -","- Be4 O4 -","4","0.0208333","","Gerlach, W","Die Gitterstruktur der Erdalkalioxyde.","Zeitschrift fuer Physik","1922","9","","184","192","10.1007/BF01326966","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011326","4.22","0.02","4.22","0.02","4.22","0.02","90","","90","","90","","75.2","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Magnesium oxide","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Gerlach, W","Die Gitterstruktur der Erdalkalioxyde","Zeitschrift fuer Physik","1922","9","","184","192","10.1007/BF01326966","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011327","4.778","0.05","4.778","0.05","4.778","0.05","90","","90","","90","","109.1","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Calcium oxide","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Gerlach, W","Die Gitterstruktur der Erdalkalioxyde.","Zeitschrift fuer Physik","1922","9","","184","192","10.1007/BF01326966","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011328","5.104","0.01","5.104","0.01","5.104","0.01","90","","90","","90","","133","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Strontium oxide","","- O Sr -","- O Sr -","- O4 Sr4 -","4","0.0208333","","Gerlach, W","Die Gitterstruktur der Erdalkalioxyde.","Zeitschrift fuer Physik","1922","9","","184","192","10.1007/BF01326966","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011329","3","","3","","5.2","","90","","90","","90","","46.8","","","","","","","","","","","","","2","P 4/m","-P 4","83","","Palladium oxide","","- O Pd -","- O Pd -","- O Pd -","1","0.125","","Levi, G R; Fontana, C","Ossidi di palladio","Gazzetta Chimica Italiana","1926","56","","388","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011330","3.62","","3.62","","5.85","","90","","90","","120","","66.4","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Tin(IV) sulfide","Berndtite","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Oftedal, I","Die Kristallstruktur von Sn S2","Norsk Geologisk Tidsskrift","1926","9","","225","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011331","8.27","","11.63","","8.89","","90","","90","","90","","855","","","","","","","","","","","","","5","P b a m","-P 2 2ab","55","","Dipotassium tetrachloromercurate hydrate","","- Cl4 H2 Hg K2 O -","- Cl4 H2 Hg K2 O -","- Cl16 H8 Hg4 K8 O4 -","4","0.5","","MacGillavry, C H; de Wilde, J H; Bijvoet, J M","The crystal structure of K2 Hg Cl4 * H2 O","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1938","100","","212","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1011332","6.23","","6.23","","6.23","","36.03","","36.03","","36.03","","74.8","","","","","","","","","","","","","2","R -3 m :R","-P 3* 2","166","","Cadmium chloride","","- Cd Cl2 -","- Cd Cl2 -","- Cd Cl2 -","1","0.0833333","","Pauling, L; Hoard, J L","The crystal structure of cadmium chloride","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","74","","546","551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011334","3.47","","3.47","","6.1","","90","","90","","90","","73.4","","","","","","","","","","","","from Transvaal","2","P 42/m m c","-P 4c 2","131","","Platinum sulfide","Cooperite","- Pt S -","- Pt S -","- Pt2 S2 -","2","0.125","","Bannister, F A; Hey, M H","Determination of minerals in platinum concentrates from the transvall by x-ray methods.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1932","23","","188","206","10.1180/minmag.1932.023.138.05","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011335","5.852","","5.852","","3.453","","90","","90","","120","","102.4","","","","","","","","","","","","synthetic","2","P -6 2 m","P -6 -2","189","","Iron phosphide (2/1)","Barringerite","- Fe2 P -","- Fe2 P -","- Fe6 P3 -","3","0.25","","Hendricks, S B; Kosting, P R","The crystal structure of Fe2 P, Fe2 N, Fe3 N and Fe B.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","74","","511","533","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011336","4.053","","5.495","","2.946","","90","","90","","90","","65.6","","","","","","","","","","","","","2","P n a m","-P 2c 2n","62","","Iron boride (1/1)","","- B Fe -","- B Fe -","- B4 Fe4 -","4","0.5","","Hendricks, S. B.; Kosting, P. R.","The crystal structure of Fe2P, Fe2N, Fe3N and FeB","Zeitschrift fur Kristallographie","1930","74","","511","533","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011337","4.88","0.02","4.88","0.02","4.88","0.02","90","","90","","90","","116.2","","","","","","","","","","","","synthetic","2","I m -3 m","-I 4 2 3","229","","Silver sulfide - $-alpha","Argentite","- Ag2 S -","- Ag2.0004 S -","- Ag4.0008 S2 -","2","0.0208333","","Rahlfs, P","Ueber die kubischen Hochtemperaturmodifikationen der Sulfide und Telluride des Silbers und des einwertigen Kupfers","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1936","31","","157","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011338","4.983","0.016","4.983","0.016","4.983","0.016","90","","90","","90","","123.7","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","Silver selenide - $-alpha","","- Ag2 Se -","- Ag2.0004 Se -","- Ag4.0008 Se2 -","2","0.0208333","","Rahlfs, P","Ueber die kubischen Hochtemperaturmodifikationen der Sulfide und Telluride des Silbers und des einwertigen Kupfers","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1936","31","","157","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011339","6.572","0.01","6.572","0.01","6.572","0.01","90","","90","","90","","283.9","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Silver telluride - $-alpha","","- Ag2 Te -","- Ag2 Te -","- Ag8 Te4 -","4","0.0416667","","Rahlfs, P","Ueber die kubischen Hochtemperaturmodifikationen der Sulfide und Telluride des Silbers und des einwertigen Kupfers","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1936","31","","157","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011340","5.74","0.02","5.74","0.02","5.74","0.02","48.05","0.17","48.05","0.17","48.05","0.17","95.8","","","","","","","","","","","","","3","R -3 c :R","-P 3* 2n","167","","Lithium nitrate(V)","","- Li N O3 -","- Li N O3 -","- Li2 N2 O6 -","2","0.166667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen A B O3","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011341","6.112","0.006","6.112","0.006","6.112","0.006","47.4","0.1","47.4","0.1","47.4","0.1","113.2","","","","","","","","","","","","","3","R -3 c :R","-P 3* 2n","167","","Cadmium carbonate","","- C Cd O3 -","- C Cd O3 -","- C2 Cd2 O6 -","2","0.166667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen A B O3","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1011342","3.725","","9.79","","9.93","","90","","90","","90","","362.1","","","","","","","","","","","","from Aranyer Berg, Transylvania","3","C m c m","-C 2c 2","63","","Diiron(III) titanate dioxide","Pseudobrookite","- Fe2 O5 Ti -","- Fe2 O5 Ti -","- Fe8 O20 Ti4 -","4","0.25","","Pauling, L","The crystal structure of pseudobrookite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","73","","97","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011343","4.467","","4.467","","4.467","","90","","90","","90","","89.1","","","","","","","","","","","","synthetic","2","P 21 3","P 2ac 2ab 3","198","","Iron silicide (1/1)","Fersilicite","- Fe Si -","- Fe Si -","- Fe4 Si4 -","4","0.333333","","Wever, F; Moeller, H","Ueber den Kristallbau des Eisensilizides Fe Si","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","362","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011344","5.505","","5.505","","5.505","","90","","90","","90","","166.8","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Rhodium phosphide (2/1)","","- P Rh2 -","- P Rh2 -","- P4 Rh8 -","4","0.0208333","","Zumbusch, M","Ueber die Strukturen des Uransubsulfids und der Subphosphide des Iridiums und Rhodiums","Zeitschrift fuer Anorganische und Allgemeine Chemie","1940","243","","322","329","10.1002/zaac.19402430403","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011345","7.39","0.05","7.39","0.05","10.05","0.05","90","","90","","120","","475.3","","","","","","","","","","","","from Khibiny alkaline massif, Kola Peni","5","P 63/m m c","-P 6c 2c","194","","Disodium zirconium catena-trisilicate dihydrate","Catapleite, averaged structure","- H4 Na2 O11 Si3 Zr -","- H4.669 Na2 O11.001 Si3 Zr -","- H9.338 Na4 O22.002 Si6 Zr2 -","2","0.0833333","","Brunovskii, B","Die Struktur des Katapleits (Na2 Zr Si3 O9 * 2(H2 O))","Trav. Inst. Lomonossoff","1935","6","","34","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011346","4.012","","4.012","","10.918","","90","","90","","120","","152.2","","","","","","","","","","","","synthetic","2","R -3 m :H","-R 3 2""","166","","Arsenic molybdenum (1/1)","Stibarsen","- As Sb -","- As Sb -","- As3 Sb3 -","3","0.0833333","","Trsebiatkowski, W; Bryjak, E","Roentgenanalyse des Systems Arsen-Antimon","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","238","","255","267","10.1002/zaac.19382380210","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011347","12.33","0.07","12.33","","12.33","","90","","90","","90","","1874.5","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Magnesium arsenide","","- As2 Mg3 -","- As2 Mg3 -","- As32 Mg48 -","16","0.333333","","Zintl, E; Husemann, E","Bindungsart und Gitterbau binaerer Magnesiumverbindungen. 12. Mitteilung ueber Metalle und Legierungen","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1933","21","","138","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011348","5.982","0.004","5.982","","5.982","","90","","90","","90","","214.1","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Palladium arsenide (1/2)","","- As2 Pd -","- As2 Pd -","- As8 Pd4 -","4","0.166667","","Thomassen, L","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle II","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","4","","277","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011349","8.316","0.02","8.316","","11.76","0.03","90","","90","","90","","813.3","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","Zinc arsenide","","- As2 Zn3 -","- As2 Zn3 -","- As16 Zn24 -","8","0.5","","Stackelberg, M von; Paulus, R","Untersuchungen an den Phosphiden und Arseniden des Zinks und Cadmiums. Das Zn3 P3 - Gitter","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1935","28","","427","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011350","7.128","0.004","7.128","0.004","7.288","0.005","90","","90","","120","","320.7","","","","","","","","","","","","synthetic","2","P 63 2 2","P 6c 2c","182","","Cerium fluoride","Fluocerite (Ce)","- Ce F3 -","- Ce F3 -","- Ce6 F18 -","6","0.5","","Oftedal, I","Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","5","","272","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011351","5.24","","5.24","","5.24","","90","","90","","90","","143.9","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Manganese sulfide","Alabandite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0208333","","Ott, H.","Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2; Präzisionsmessungen einiger Alkalihalogenide","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1926","63","","222","230","10.1524/zkri.1926.63.1.222","","","","","","","","","","","","","","","","","","","","","has coordinates","259054","2020-11-09","11:00:07",""
"1011352","6.943","0.002","6.943","0.002","6.943","0.002","90","","90","","90","","334.7","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Manganese(IV) telluride","","- Mn Te2 -","- Mn Te2 -","- Mn4 Te8 -","4","0.166667","","Elliott, N","The crystal structure of manganese diselenide and manganese ditelluride","Journal of the American Chemical Society","1937","59","","1958","1962","10.1021/ja01289a049","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011353","6.036","","6.036","","6.036","","90","","90","","90","","219.9","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Indium arsenide","","- As In -","- As In -","- As4 In4 -","4","0.0416667","","Iandelli, A","Sulla struttura dei composti In P, In As e In Sb","Gazzetta Chimica Italiana","1940","70","","58","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011354","6.461","","6.461","","6.461","","90","","90","","90","","269.7","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Indium antimonide","","- In Sb -","- In Sb -","- In4 Sb4 -","4","0.0416667","","Iandelli, A","Sulla struttura dei composti In P, In As e In Sb","Gazzetta Chimica Italiana","1940","70","","58","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011355","6.391","","6.391","","6.391","","90","","90","","90","","261","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Magnesium silicide","","- Mg2 Si -","- Mg2 Si -","- Mg8 Si4 -","4","0.0208333","","Owen, E A; Preston, G D","The atomic structure of two intermetallic compounds","Proceedings of the Physical Society, London","1924","36","","341","348","10.1088/1478-7814/36/1/339","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011356","7.94","","7.94","","4.108","","90","","90","","120","","224.3","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Strontium chloride hexahydrate","Antarcticite (Sr)","- Cl2 H12 O6 Sr -","- Cl2 H2 O6 Sr -","- Cl2 H2 O6 Sr -","1","0.166667","","Jensen, A T","On the structure of Sr Cl2 (H2 O)6","Kongelige Danske Videnskabernes Selskab, Matematisk-Fysike Meddelelser","1940","17","","1","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011357","3.882","","5.301","","6.298","","90","","90","","90","","129.6","","","","","","","","","","","","synthetic","2","P m n n","-P 2n 2","58","","Cobalt(IV) telluride","Mattagamite","- Co Te2 -","- Co Te2 -","- Co2 Te4 -","2","0.25","","Tengner, S","Ueber Diselenide und Ditelluride von Eisen, Kobalt und Nickel","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","239","","126","132","10.1002/zaac.19382390203","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011359","5.24","0.02","4.57","0.02","12.92","0.01","90","","90","","90","","309.4","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Thallium iodide - low-temperature phase","","- I Tl -","- I Tl -","- I4 Tl4 -","4","0.25","","Helmholz, L","The crystal structure of the low temperature modification of thallous iodide.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","129","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011360","12.01","0.01","12.01","0.01","12.01","0.01","90","","90","","90","","1732.3","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Magnesium phosphide","","- Mg3 P2 -","- Mg3 P2 -","- Mg48 P32 -","16","0.333333","","Stackelberg, M von; Paulus, R","Untersuchungen ueber die Kristallstruktur der Nitride und Phosphide zweiwertiger Metalle.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1933","22","","305","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011361","4.63","","4.63","","4.63","","90","","90","","90","","99.3","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Zirconium(III) nitride","","- N Zr -","- N Zr -","- N4 Zr4 -","4","0.0208333","","Becker, K; Ebert, F","Die Kristallstrukturen einiger binaerer Carbide und Nitride.","Zeitschrift fuer Physik","1925","31","","268","272","10.1007/BF02980580","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011362","5.496","0.02","5.496","0.02","5.496","0.02","90","","90","","90","","166","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Barium oxide","","- Ba O -","- Ba O -","- Ba4 O4 -","4","0.0208333","","Gerlach, W","Die Gitterstruktur der Erdalkalioxyde.","Zeitschrift fuer Physik","1922","9","","184","192","10.1007/BF01326966","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011363","5.489","0.007","5.489","0.007","5.489","0.007","90","","90","","90","","165.4","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Lithium bromide","","- Br Li -","- Br Li -","- Br4 Li4 -","4","0.0208333","","Ott, H","Die Raumgitter der Lithiumhalogenide.","Physikalische Zeitschrift","1923","24","","209","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011364","3.83","","3.83","","3.83","","90","","90","","90","","56.2","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Thallium chloride","","- Cl Tl -","- Cl Tl -","- Cl Tl -","1","0.0208333","","Moeller, K","Eine fuer Praezisionsbestimmungen von Gitterkonstanten nach der Debye- Scherrer-Methode besonders geeignete Eichsubstanz","Naturwissenschaften","1933","21","","223","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011365","6.126","","6.126","","6.126","","90","","90","","90","","229.9","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Aluminium antimonide","","- Al Sb -","- Al Sb -","- Al4 Sb4 -","4","0.0416667","","Owen, E A; Preston, G D","The atomic structure of two intermetallic compounds","Nature (London)","1924","113","","914","914","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011366","3.61","","3.61","","5.87","","90","","90","","120","","66.2","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Iron selenide","Achavalite","- Fe Se -","- Fe Se -","- Fe2 Se2 -","2","0.0833333","","Alsen, N","Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen","Geologiska Foereningens i Stockholm Foerhandlingar","1925","47","","19","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011367","3.66","","3.66","","5.33","","90","","90","","120","","61.8","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Nickel selenide","Sederholmite","- Ni Se -","- Ni Se -","- Ni2 Se2 -","2","0.0833333","","Alsen, N","Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen","Geologiska Foereningens i Stockholm Foerhandlingar","1925","47","","19","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011368","5.858","0.003","5.858","0.003","5.858","0.003","90","","90","","90","","201","","","","","","","","","","","","from Redington-Mine Lake Co., California, USA","2","F -4 3 m","F -4 2 3","216","","Mercury sulfide","Metacinnabar","- Hg S -","- Hg S -","- Hg4 S4 -","4","0.0416667","","Lehmann, W M","Roentgenographische Untersuchungen an natuerlichem und synthetischem Metacinnabarit (Hg S).","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1924","60","","379","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011369","4.16","","4.16","","9.54","","90","","90","","120","","143","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","Mercury sulfide","Cinnabar","- Hg S -","- Hg S -","- Hg3 S3 -","3","0.5","","Buckley, H E; Vernon, W S","The cyrstal-structures of the sulphides of mercury.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1925","20","","382","392","10.1180/minmag.1925.020.110.02","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011370","4.92","","4.92","","11.61","","90","","90","","90","","281","","","","","","","","","","","","synthetic","2","I 4/m m m","-I 4 2","139","","Dimercury(I) iodide","Moschelite","- Hg2 I2 -","- Hg2 I2 -","- Hg4 I4 -","2","0.0625","","Havighurst, R J","Crystal structure of the mercurous halides","American Journal of Science, Serie 5(1,1921-1938)","1925","10","","15","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011371","5.535","","5.535","","5.535","","90","","90","","90","","169.6","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Iridium phosphide (2/1)","","- Ir2 P -","- Ir2 P -","- Ir8 P4 -","4","0.0208333","","Zumbusch, M","Ueber die Strukturen des Uransubsulfids und der Subphosphide des Iridiums und Rhodiums","Zeitschrift fuer Anorganische und Allgemeine Chemie","1940","243","","322","329","10.1002/zaac.19402430403","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011372","4.619","","4.619","","4.619","","90","","90","","90","","98.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dilithium oxide","","- Li2 O -","- Li2 O -","- Li8 O4 -","4","0.0208333","","Zintl, E.; Harder, A.; Dauth, B.","Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums, Natriums und Kaliums","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1934","40","","588","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011373","6.005","","6.005","","6.005","","90","","90","","90","","216.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dilithium selenide","","- Li2 Se -","- Li2 Se -","- Li8 Se4 -","4","0.0208333","","Zintl, E.; Harder, A.; Dauth, B.","Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums, Natriums und Kaliums","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1934","40","","588","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","174984","2020-10-21","18:00:00",""
"1011374","6.526","","6.526","","6.526","","90","","90","","90","","277.9","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Disodium sulfide","","- Na2 S -","- Na2 S -","- Na8 S4 -","4","0.0208333","","Zintl, E.; Harder, A.; Dauth, B.","Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums, Natriums und Kaliums","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1934","40","","588","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","174984","2020-10-21","18:00:00",""
"1011375","7.391","","7.391","","7.391","","90","","90","","90","","403.7","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dipotassium sulfide","","- K2 S -","- K2 S -","- K8 S4 -","4","0.0208333","","Zintl, E.; Harder, A.; Dauth, B.","Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums, Natriums und Kaliums","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1934","40","","588","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","174984","2020-10-21","18:00:00",""
"1011376","7.676","","7.676","","7.676","","90","","90","","90","","452.3","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dipotassium selenide","","- K2 Se -","- K2 Se -","- K8 Se4 -","4","0.0208333","","Zintl, E.; Harder, A.; Dauth, B.","Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums, Natriums und Kaliums","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1934","40","","588","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","174984","2020-10-21","18:00:00",""
"1011377","8.152","","8.152","","8.152","","90","","90","","90","","541.7","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dipotassium telluride","","- K2 Te -","- K2 Te -","- K8 Te4 -","4","0.0208333","","Zintl, E.; Harder, A.; Dauth, B.","Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums, Natriums und Kaliums","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1934","40","","588","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","174984","2020-10-21","18:00:00",""
"1011378","6.809","","6.809","","6.809","","90","","90","","90","","315.7","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Disodium selenide","","- Na2 Se -","- Na2 Se -","- Na8 Se4 -","4","0.0208333","","Zintl, E.; Harder, A.; Dauth, B.","Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums, Natriums und Kaliums","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1934","40","","588","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","174984","2020-10-21","18:00:00",""
"1011379","9.19","0.01","8.11","0.01","7.45","0.01","90","","90","","90","","555.3","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Dipotassium petafluoroaluminate hydrate","","- Al F5 H2 K2 O -","- Al F5 H3 K2 O -","- Al4 F20 H12 K8 O4 -","4","0.25","","Brosset, C","Herstellung und Kristallbau der Verbindungen Tl Al F4 und Tl2 Al F5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1937","235","","139","147","10.1002/zaac.19372350119","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011380","6.559","","6.559","","6.559","","90","","90","","90","","282.2","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Lithium antimonide","","- Li3 Sb -","- Li3 Sb -","- Li12 Sb4 -","4","0.0208333","","Brauer, G; Zintl, E","Konstitution von Phosphiden, Arseniden, Antimoniden und Wismutiden des Lithiums, Natriums und Kaliums","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1937","22","","829","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011381","4.428","0.004","4.428","","7.185","0.007","90","","90","","120","","122","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Dimagnesium zinc antimonide (1.86/1.14/2)","","- Mg1.86 Sb2 Zn1.14 -","- Mg1.86 Sb2 Zn1.14 -","- Mg1.86 Sb2 Zn1.14 -","1","0.0833333","","Loehberg, K","Zur Kenntnis der Ersetzbarkeit von Zink durch Magnesium und umgekehrt 1. Ueber die Mischbarkeit von Mg3 Sb2 und Zn3 Sb2 und die Struktur der Mischkristalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1934","27","","381","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011382","5.59","","5.59","","5.59","","90","","90","","90","","174.7","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Manganese sulfide - HT, $-beta","Browneite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0416667","","Mehmed, F; Haraldsen, H","Das magnetische Verhalten der allotropen Modifikationen des Mangan(II)- Sulfides","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","235","","193","200","10.1002/zaac.19382350305","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1100000","6.027318","0.000029","6.027318","0.000029","4.82861","0.00013","90","","90","","120","","151.92","","","","","","","","","","annealed at 330 C","","","3","R -3 m :H","-R 3 2""","166","","","","- C Cu N -","- C3 Cu3 N3 -","- C3 Cu3 N3 -","","","","Reckeweg, Olaf; Lind, Cora; Simon, Arndt; Salvo, J.","Synthesis, Thermal and X-Ray Investigations of the High-Temperature Phase of Copper(I) Cyanide","Zeitschrift für Naturforschung B","2003","58","1","155","158","","powder diffraction","x-ray","1.54059","Kα~1~","","","","","","","","","","1519.54","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100006","9.172","0.002","9.172","0.002","33.51","0.01","90","","90","","120","","2441.4","","","","","","","","","","","","the Emile Baudot bank, western Mediterranean","6","R -3 m :H","-R 3 2""","166","","Magnesium aluminium sodium hydroxide sulfate carbonate hydrate (5.6/3.4/.6/18/1.3/.7/12)","Motukoreaite","- Al3.4 H42 Mg5.6 Na0.6 O37.3 S1.3 -","- C0.672 H79.92 Al3 Mg6 Na0.66 O33.24 S1.32 -","- C2.016 H239.76 Al9 Mg18 Na1.98 O99.72 S3.96 -","3","0.0833333","","Rius, J.; Plana, F.","Contribution to the superstructure resolution of the double layer mineral motukoreaite","Neues Jahrbuch fuer Mineralogie. Monatshefte","1986","1986","","263","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","205566","2020-10-21","18:00:00",""
"1100007","5.18","0.004","8.993","0.006","20.06898","0.013","90","","95.69","0.06","90","","930.3","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Potassium aluminium phyllo-alumosilicate hydroxide fluoride *","Muscovite 2M1","- Al2.873 F0.256 H1.744 K0.894 O11.744 Si2.829 -","- Al2.873 F0.256 H2.616 K0.894 O11.744 Si2.829 -","- Al11.492 F1.024 H10.464 K3.576 O46.976 Si11.316 -","4","0.5","","Liang, J-J; Hawthorne, F C","Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement","Canadian Mineralogist","1996","34","","115","122","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100008","5.1765","0.0004","8.9872","0.0006","20.07199","0.001","90","","95.756","0.006","90","","929.1","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Potassium aluminium phyllo-alumosilicate hydroxide fluoride *","Muscovite 2M1","- Al2.905 F0.256 H1.744 K0.86 O11.744 Si2.895 -","- Al2.905 F0.256 H2.616 K0.86 O11.744 Si2.895 -","- Al11.62 F1.024 H10.464 K3.44 O46.976 Si11.58 -","4","0.5","","Liang, J-J; Hawthorne, F C","Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement","Canadian Mineralogist","1996","34","","115","122","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100009","5.1805","0.0007","8.994","0.001","20.086","0.002","90","","95.74","0.007","90","","931.2","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Potassium aluminium phyllo-alumosilicate hydroxide fluoride *","Muscovite 2M1","- Al2.91 F0.256 H1.744 K0.94 O11.744 Si2.85 -","- Al2.91 F0.256 H2.616 K0.94 O11.744 Si2.85 -","- Al11.64 F1.024 H10.464 K3.76 O46.976 Si11.4 -","4","0.5","","Liang, J-J; Hawthorne, F C","Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement","Canadian Mineralogist","1996","34","","115","122","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100010","5.194","","8.996","0.006","20.09599","0.002","90","","95.18","","90","","935.2","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Potassium alumosilicate hydrate *","Muscovite 2M1","- Al2.88 Fe0.12 H2 K O12 Si3 -","- Al2.88 Fe0.12 H3 K O12 Si3 -","- Al11.52 Fe0.48 H12 K4 O48 Si12 -","4","0.5","","Birle, J D; Tettenhorst, R","Refined Muscovite structure","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1968","36","","883","886","10.1180/minmag.1968.036.282.24","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100011","5.1998","0.0021","9.0266","0.0019","20.10579","0.0044","90","","95.782","0.039","90","","938.9","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Potassium aluminium silicate hydrate *","Muscovite 2M1","- Al3 H2 K O12 Si3 -","- Al3 H3 K O12 Si3 -","- Al12 H12 K4 O48 Si12 -","4","0.5","","Richardson, S M; Richardson, J W jr.","Crystal structure of a pink Muskovite from Archer's post, Kenya: implications for reverse pleochroism in dioctahedral micas","American Mineralogist","1982","67","","69","75","","","","","","","0.099","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100012","5.189","0.01","8.996","0.006","20.09599","0.02","90","","95.18","0.08","90","","934.3","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Potassium alumosilicate hydrate *","Muscovite 2M1","- Al3 H2 K O12 Si3 -","- Al3 H3 K O12 Si3 -","- Al12 H12 K4 O48 Si12 -","4","0.5","","Radoslovich, E W","The Structure of Muscovite, K Al2 (Si3 Al) O10 (O H)2","Acta Crystallographica (1,1948-23,1967)","1960","13","","919","932","10.1107/S0365110X60002259","","","","","","0.125","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100014","5.1963","0.0004","5.1963","0.0004","29.97049","0.0016","90","","90","","120","","700.84","0.013","","","","","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","Potassium alumosilicate hydroxide *","Muscovite 3T","- Al3 H2 K O12 Si3 -","- Al3 H3 K O12 Si3 -","- Al9 H9 K3 O36 Si9 -","3","0.5","","Güven, N.; Burnham, C. W.","The Crystal Structure of 3T Muscovite","Carnegie Institution of Washington: Yearbook","1966","65","","290","293","","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1100015","5.1963","0.0004","5.1963","0.0004","29.97049","0.0016","90","","90","","120","","700.8","","","","","","","","","","","","In granodiorite near Sunrise Copper Prospect, Sultan Basin, Snohomish County, Washington, USA","6","P 31 1 2","P 31 2 (0 0 4)","151","","Potassium aluminium silicate hydroxide *","Muscovite 3T","- Al2.91 Fe0.09 H2 K O12 Si3 -","- Al2.91 Fe0.09 H3 K O12 Si3 -","- Al8.73 Fe0.27 H9 K3 O36 Si9 -","3","0.5","","Güven, N.; Burnham, C. W.","The Crystal Structure of 3T Muscovite","Zeitschrift für Kristallographie","1967","125","","163","183","10.1524/zkri.1967.125.125.163","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100016","5.21379","0.00002","5.21379","0.00002","29.73819","0.0002","90","","90","","120","","700.1","","","","","","","","","","","","","6","P 31 1 2","P 31 2 (0 0 4)","151","","Potassium magnesium aluminium silicon oxide hydroxide *","Phengite 3T","- Al1.788 H2 K Mg0.64 O12 Si3.572 -","- Al1.788 H4 K Mg0.64 O12 Si3.572 -","- Al5.364 H12 K3 Mg1.92 O36 Si10.716 -","3","0.5","","Pavese, A; Ferraris, G; Prencipe, M; Ibberson, R","Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): a variable-temperature neutron powder diffraction study","European Journal of Mineralogy (1,1989-)","1997","9","","1183","1190","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100017","5.23169","0.00002","5.23169","0.00002","30.1227","0.0002","90","","90","","120","","714","","","","","","","","","","","","","6","P 31 1 2","P 31 2 (0 0 4)","151","","Potassium magnesium aluminium silicon oxide hydroxide *","Phengite 3T","- Al1.848 H2 K Mg0.58 O12 Si3.572 -","- Al1.848 H4 K Mg0.58 O11 Si3.572 -","- Al5.544 H12 K3 Mg1.74 O33 Si10.716 -","3","0.5","","Pavese, A; Ferraris, G; Prencipe, M; Ibberson, R","Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): a variable-temperature neutron powder diffraction study","European Journal of Mineralogy (1,1989-)","1997","9","","1183","1190","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100018","9.758","0.003","8.973","0.003","5.253","0.001","90","","105.67","0.03","90","","442.9","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Calcium strontium magnesium catena-disilicate (.8/.2/1/1)","Diopside strontian","- Ca0.8 Mg O6 Si2 Sr0.2 -","- Ca0.8 Mg O6 Si2 Sr0.2 -","- Ca3.2 Mg4 O24 Si8 Sr0.8 -","4","0.5","","Benna, P; Chiari, G; Bruno, E","","Mineralogy and Petrology","1987","36","","71","84","10.1007/BF01164370","","","","","","","","","","","","","","","","","","","","","has coordinates","278161","2022-09-26","15:29:15",""
"1100019","4.9977","","4.9977","","5.4601","","90","","90","","120","","118.1","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Silicon oxide","Quartz high","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Wright, A F; Lehmann, M S","","Journal of Solid State Chemistry","1981","36","","371","380","10.1016/0022-4596(81)90449-7","","","","","","","","","","","","","","","","","","","","","has coordinates","278161","2022-09-26","15:29:28",""
"1100020","5","","5.72","","11.12","","90","","90","","90","","318","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","Tin (II) oxide - red modification","","- O Sn -","- O Sn -","- O8 Sn8 -","8","1","","Donaldson, J D; Moser, W; Simpson, W B","The structure of the red modification of tin(II)oxide","Acta Crystallographica (1,1948-23,1967)","1963","16","","A22","A22","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1100021","3.7986","0.0001","3.7986","0.0001","4.8408","0.0002","90","","90","","90","","69.8","","","","","","","","","","","","Synthetic","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Tin oxide","Romarchite","- O Sn -","- O Sn -","- O2 Sn2 -","2","0.125","","Izumi, F","Pattern-fitting structure refinement of tin(II) oxide","Journal of Solid State Chemistry","1981","38","","381","385","10.1016/0022-4596(81)90068-2","","","","","","0.177","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1100022","20.871","0.002","9.496","0.001","5.6","0.001","90","","90","","90","","1109.9","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","CALCIUM STRONTIUM SILICATE","","- Ca O4 Si Sr -","- Ca O4 Si Sr -","- Ca12 O48 Si12 Sr12 -","12","3","","Il'inets, A. M.; Nevskii, N. N.; Ilyukhin, V. V.; Bikbau, M. Y.; Belov, N. V.","The crystal structure of α'-modification of dicalcium silicate Ca(Ca, Sr)SiO~4~","Doklady Akademii Nauk SSSR","1982","267","","641","644","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100023","5.647","0.001","7.037","0.001","9.644","0.002","90","","90","","90","","383.2","","","","","","","","","","","","","4","P m n b","-P 2bc 2a","62","","Calcium strontium silicate (1.5/.5/1)","","- Ca1.5 O4 Si Sr0.5 -","- Ca1.5 O4 Si Sr0.5 -","- Ca6 O16 Si4 Sr2 -","4","0.5","","Catti, M.; Gazzoni, G.; Ivaldi, G.","Order-disorder in the α'-(Ca,Sr)~2~SiO~4~ solid solution: a structural and statistical-thermodynamic analysis","Acta Crystallographica, Section B: Structural Science","1984","40","6","537","544","10.1107/s0108768184002652","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","199948","2020-10-21","18:00:00",""
"1100024","5.647","0.001","7.037","0.001","9.644","0.002","90","","90","","90","","383.2","","","","","","","","","","","","","4","P m n b","-P 2bc 2a","62","","Calcium strontium silicate (1.8/.2/1)","","- Ca1.8 O4 Si Sr0.2 -","- Ca1.8 O4 Si Sr0.2 -","- Ca7.2 O16 Si4 Sr0.8 -","4","0.5","","Catti, M.; Gazzoni, G.; Ivaldi, G.","Order-disorder in the α'-(Ca,Sr)~2~SiO~4~ solid solution: a structural and statistical-thermodynamic analysis","Acta Crystallographica, Section B: Structural Science","1984","40","6","537","544","10.1107/s0108768184002652","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","199948","2020-10-21","18:00:00",""
"1100025","5.214","0.003","6.43","0.003","7.301","0.012","90","","90","","90","","244.8","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","Strontium calcium carbonate","Carbocernaite","- C2 Ca O6 Sr -","- C2 Ca O6 Sr -","- C4 Ca2 O12 Sr2 -","2","0.5","","Shi, N.; Ma, Z.; Peng, Z.","The Crystal Structure of Carbocernaite","Chinese Science Bulletin","1982","27","1","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","278161","2022-09-26","15:29:59",""
"1100027","5.1396","","5.1396","","5.1396","","90","","90","","90","","135.8","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Strontium oxide","","- O Sr -","- O Sr -","- O4 Sr4 -","4","0.0208333","","Primak, W; Kaufman, H; Ward, R","X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors","Journal of the American Chemical Society","1948","70","","2043","2046","10.1021/ja01186a018","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100029","4.14","0.002","4.14","0.002","8.805","0.005","90","","90","","90","","150.9","","","","","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","Titanium nitride (2/1) - $-alpha","","- N Ti2 -","- N Ti2 -","- N4 Ti8 -","4","0.125","","Lobier, G; Marcon, J P","Etude et structure d'une nouvelle phase du sous-nitrure de titane Ti~2~ N","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","268","","1132","1135","","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100030","4.1493","0.0002","4.1493","","8.7858","0.0005","90","","90","","90","","151.3","","","","","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","Titanium nitride - δ'","","- N Ti2 -","- N Ti2 -","- N4 Ti8 -","4","0.125","","Christensen, A. N.; Alamo, A.; Landesman, J. P.","Structure of vacancy-ordered titanium heminitride δ'-Ti~2~N by powder neutron diffraction","Acta Crystallographica, Section C: Crystal Structure Communications","1985","41","7","1009","1011","10.1107/s0108270185006370","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","200073","2020-10-21","18:00:00",""
"1100031","4.9452","","4.9452","","3.0342","","90","","90","","90","","74.2","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Titanium nitride (2/1)","","- N Ti2 -","- N Ti2 -","- N2 Ti4 -","2","0.125","","Holmberg, B","Structural Studies on the Titanium-Nitrogen System","Acta Chemica Scandinavica (1-27,1973-42,1988)","1962","16","","1255","1261","10.3891/acta.chem.scand.16-1255","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100032","2.9809","0.0004","2.9809","0.0004","21.6642","0.0085","90","","90","","120","","170.5","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Titanium nitride (3/1.29) - η","","- N1.29 Ti3 -","- N1.29 Ti3 -","- N3.87 Ti9 -","3","0.0833333","","Lengauer, W.","The crystal structure of η-Ti~3~N~2-x~: An additonal new phase in the Ti-N system","Journal of the Less-Common Metals","1986","125","","127","134","10.1016/0022-5088(86)90087-1","","","","","","0.117","","","","","","","","","","","","","","","has coordinates","189445","2020-10-21","18:00:00",""
"1100033","4.242","","4.242","","4.242","","90","","90","","90","","76.3","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Titanium(III) nitride","Osbornite","- N Ti -","- N0.96 Ti0.96 -","- N3.84 Ti3.84 -","4","0.0208333","","Ehrlich, P; Juza, R","","Fiat Review of German Science","1948","2","","64","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","278161","2022-09-26","15:30:08",""
"1100034","4.244","","4.244","","4.244","","90","","90","","90","","76.4","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Titanium(III) nitride","Osbornite","- N Ti -","- N Ti -","- N4 Ti4 -","4","0.0208333","","Bannister, F A","Osbornite, meteoric titanium nitride.","Mineralogical Magazine (1969-)","1941","26","","36","44","10.1180/minmag.1941.026.173.02","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100036","4.238","","4.238","","4.238","","90","","90","","90","","76.1","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Titanium(III) nitride","Osbornite","- N Ti -","- N Ti -","- N4 Ti4 -","4","0.0208333","","Schoenberg, N","","Acta Chemica Scandinavica (1-27,1973-42,1988)","1954","8","","213","220","10.3891/acta.chem.scand.08-0213","","","","","","","","","","","","","","","","","","","","","has coordinates","278161","2022-09-26","15:30:25",""
"1100037","4.239","0.001","4.239","0.001","4.239","0.001","90","","90","","90","","76.2","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Titanium nitride (1/0.9)","Osbornite","- N0.9 Ti -","- N0.9 Ti -","- N3.6 Ti4 -","4","0.0208333","","Christensen, A N","The temperature factor parameters of some transition metal carbides and nitrides by single crystal X-ray and neutron diffraction","Acta Chemica Scandinavica, Series A: (28,1974-)","1978","32","","89","90","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100039","4.235","0.002","4.235","0.002","4.235","0.002","90","","90","","90","","76","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Titanium nitride (0.76/1)","Osbornite","- N Ti0.76 -","- N Ti0.76 -","- N4 Ti3.04 -","4","0.0208333","","Christensen, A. N.","A Neutron Diffraction Investigation on Single Crystals of Titanium Carbide, Titanium Nitride, and Zirconium Nitride","Acta Chemica Scandinavica","1975","29","","563","564","10.3891/acta.chem.scand.29a-0563","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","278161","2022-09-26","15:30:50",""
"1100041","4.198","0.002","4.198","0.002","8.591","0.005","90","","90","","90","","151.4","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","Titanium nitride (1/0.61) - $-alpha","","- N0.61 Ti -","- N0.61 Ti -","- N4.88 Ti8 -","8","0.25","","Nagakura, S; Kusunoki, T","Structure of Ti Nx studied by electron diffraction and microscopy","Journal of Applied Crystallography","1977","10","","52","56","10.1107/S0021889877012795","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100042","5.855","0.003","9.34","0.005","4.142","0.002","90","","90","","107.53","0.05","216","","","","","","","","","","","","","2","A 1 1 2/m","-A 2","12","","Titanium oxide (1/1)","","- O Ti -","- O Ti -","- O10 Ti10 -","10","1.25","","Watanabe, D; Castles, J R; Jostsons, A; Malin, A S","The ordered structure of Ti O","Acta Crystallographica (1,1948-23,1967)","1967","23","","307","313","10.1107/S0365110X67002634","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1100043","5.4145","0.009","5.4145","0.009","5.4145","0.009","90","","90","","90","","158.7","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Zinc sulfide","Sphalerite","- S Zn -","- S Zn -","- S4 Zn4 -","4","0.0416667","","Jumpertz, E. A.","Electron-density distribution in zinc blende","Zeitschrift für Elektrochemie und angewandte physikalische Chemie","1955","59","","419","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1100044","3.8227","0.0001","3.8227","0.0001","6.2607","0.0001","90","","90","","120","","79.2","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Zinc sulfide","Wurtzite","- S Zn -","- S Zn -","- S2 Zn2 -","2","0.166667","","Kisi, E. H.; Elcombe, M. M.","u parameters for the wurtzite structure of ZnS and ZnO using powder neutron diffraction","Acta Crystallographica Section C","1989","45","12","1867","1870","10.1107/S0108270189004269","","","","","","0.0575","","","","","","","","","","","","","","","has coordinates","278161","2022-09-26","15:31:04",""
"1100045","9.9096","0.0001","10.0634","0.0001","9.3552","0.0001","90","","120.068","0.0003","90","","807.39","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Lithium Aluminium Boron Oxide (1/1/2/5)","","- Al B2 Li O5 -","- Al B2 Li O5 -","- Al8 B16 Li8 O40 -","8","1","","He, M; Chen, X; Lan, Y; Li, H; Xu, Y","Ab initio structure determination of new compound LiAlB~2~O~5~","Journal of Solid State Chemistry","2001","156","","181","184","10.1006/jssc.2000.8979","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","198384","2020-10-21","18:00:00",""
"1100046","15.473","0.001","8.294","0.0008","5.8392","0.0006","90","","90","","90","","749.3","","","","","","","","","","","","","4","C c c 2","C 2 -2c","37","","Calcium Gallium Boron Oxide (1/1/1/4)","","- B Ca Ga O4 -","- B Ca Ga O4 -","- B8 Ca8 Ga8 O32 -","8","1","","Yang, Z.; Liang, J. K.; Chen, X. L.; Xu, T.; Xu, Y. P.","Synthesis and crystal structure of a new compound CaGaBO~4~","Journal of Alloys and Compounds","2001","327","1-2","215","219","10.1016/S0925-8388(01)01416-5","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100047","4.8113","0.0001","4.8113","0.0001","15.2781","0.0003","90","","90","","120","","306.29","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Sodium Aluminium Boron Oxide (2/2/2/7)","","- Al2 B2 Na2 O7 -","- Al2 B2 Na2 O7 -","- Al4 B4 Na4 O14 -","2","0.166667","","He, M; Chen, X; Zhou, T; Hu, B; Xu, Y; Xu, T","Crystal structureand infrared spectra of Li~2~Al~2~B~2~O~7~","Journal of Alloys and Compounds","2001","327","","210","214","10.1016/S0925-8388(01)01561-4","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100048","9.09","","9.09","","9.09","","90","","90","","90","","751.09","","","","","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Al2 Cr -","- Al32.004 Cr19.996 -","- Al32.004 Cr19.996 -","","","","Braun, J.; Ellner, M.; Predel, B.","Zur struktur der hochtemperaturphase Cr~5~Al~8~(h)","Journal of Alloys and Compounds","1992","183","","444","448","10.1016/0925-8388(92)90766-3","","","","","","","","","","","","","","","","","","","","","has coordinates","209452","2020-10-21","18:00:00",""
"1100049","7.805","","7.805","","7.805","","109.127","","109.127","","109.127","","370.6","","","","","","","","","","","","","2","R 3 m :R","P 3* -2","160","","","","- Al8 Cr5 -","- Al8 Cr5 -","- Al16 Cr10 -","2","0.333333","","A. J. Bradley; S. S. Lu","The Crystal Structures of Cr~2~Al and Cr~2~Al~8~","Z. Kristallogr. A","1937","96","1","20","37","10.1524/zkri.1937.96.1.20","","","","","","","","","","","","","","","","","","","","","has coordinates","209452","2020-10-21","18:00:00",""
"1100050","7.811","","7.811","","7.811","","109.13","","109.13","","109.13","","371.42","","","","","","","","","","","","","2","R 3 m :R","P 3* -2","160","","","","- Al16 Cr9.5 -","- Al15.9999 Cr9.5001 -","- Al15.9999 Cr9.5001 -","1","0.166667","","Brandon, J. K.; Pearson, W. B.; Riley, P. W.; Chien, C.; Stokhuyzen, R.","γ-Brasses with R cells","Acta Crystallographica Section B","1977","33","4","1088","1095","10.1107/S0567740877005433","","","","","","","","","","","","","","","","","","","","","has coordinates","209452","2020-10-21","18:00:00",""
"1100051","12.6963024","0.0000003","12.6963024","0.0000003","7.9210911","0.0000007","90","","90","","120","0.3","1105.78","0.03","300","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","","","- Al65 Cr27 Fe8 -","- Al49.7401 Cr21.408 Fe5.35311 -","- Al49.7401 Cr21.408 Fe5.35311 -","","","","Brandon, J. K.; Pearson, W. B.; Riley, P. W.; Chien, C.; Stokhuyzen, R.","γ-Brasses with R cells","Acta Crystallographica Section B","1977","33","4","1088","1095","10.1107/S0567740877005433","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100052","15.3706","0.0002","8.9921","0.0001","5.9191","0.0001","90","","90","","90","","818.11","0.02","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Strontium Gallium Boron Oxide (1/1/1/4)","","- B Ga O4 Sr -","- B Ga O4 Sr -","- B8 Ga8 O32 Sr8 -","8","2","","Yang, Z; Liang, J; Chen, X; Chen, J","Ab intio structure determination of a new compound, beta-SrGaBO~4~,from powder diffraction data","Journal of Solid State Chemistry","2002","165","","119","124","10.1006/jssc.2001.9509","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100053","10.8277","0.0014","11.8401","0.0015","10.3631","0.0014","90","","111.96","0.003","90","","1232.2","0.3","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Ba5 Cl2.5 Mo N4 O0.75 -","- Ba5 Cl2.5 Mo N4 O0.75 -","- Ba20 Cl10 Mo4 N16 O3 -","4","0.5","","Francesconi, M. Grazia; Barker, Marten G.; Wilson, Claire","Novel ternary N-containing mixed-anion compounds with ionic and covalent features","Chemical Communications (Cambridge, United Kingdom)","2002","","13","1358","1359","10.1039/b203382h","","","0.71073","MoKα","","0.0474","0.0413","","","0.111","0.1145","","","","","","1.034","","","","has coordinates","178219","2020-10-21","18:00:00",""
"1100054","5.0205","0.0002","5.0205","0.0002","16.3844","0.0001","90","","90","","120","","357.641","0.001","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Barium Titanium Boron Oxide (1/1/2/6)","","- B2 Ba O6 Ti -","- B2 Ba O6 Ti -","- B6 Ba3 O18 Ti3 -","3","0.166667","","Zhang, S; Wu, X; Chen, X; He, M; Cao, Y; Song,Y; Ni,D","A structural study of BaTi(BO~3~)~2~","Materials Research Bulletin","2003","38","","783","788","10.1016/S0025-5408(03)00073-4","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","198385","2020-10-21","18:00:00",""
"1100055","10.5319","0.0003","10.5319","0.0003","6.4077","0.0001","90","","90","","120","","615.53","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Calcium Lanthanum Boron Oxide (3/3/5/15)","","- B5 Ca3 La3 O15 -","- B5 Ca3 La3 O15 -","- B10 Ca6 La6 O30 -","2","0.166667","","Zhang, Y; Liang, J; Chen, X; He, M; Xu, T","A structural study of Ca~3~La~3~(BO~3~)~5~","Journal of Alloys and Compounds","2001","327","","96","99","10.1016/S0925-8388(01)01405-0","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100057","8.878","","8.878","","8.878","","90","","90","","90","","699.75","","","","","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Cu5 Zn8 -","- Cu5 Zn8 -","- Cu20 Zn32 -","4","0.0833333","","Brandon, J. K.; Brizard, R. Y.; Chieh, P. C.; McMillan, R. K.; Pearson, W. B.","New refinements of the γ brass type structures Cu~5~Zn~8~, Cu~5~Cd~8~ and Fe~3~Zn~10~","Acta Crystallographica Section B","1974","30","6","1412","1417","10.1107/S0567740874004997","","","","","","","","","","","","","","","","","","","","","has coordinates","209452","2020-10-21","18:00:00",""
"1100058","8.85","","8.85","","8.85","","90","","90","","90","","693.15","","","","","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Cu5 Zn8 -","- Cu5 Zn8 -","- Cu20 Zn32 -","4","0.0833333","","Bradley, A. J.; Gregory, C. H.","A comparison of the crystal structures of Cu~5~Zn~8~ and Cu~5~Cd~8~","The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science: Series 7","1931","12","75","143","162","10.1080/14786443109461789","","","","","","","","","","","","","","","","","","","","","has coordinates","209452","2020-10-21","18:00:00",""
"1100060","4.876","0.008","6.191","0.016","7.91","0.02","74.46","0.18","89.44","0.17","89.52","0.18","230","0.9","","","","","","","","","","","","4","P -1","-P 1","2","","Lithium Aluminium Boron Oxide (3/1/2/6)","","- Al B2 Li3 O6 -","- Al B2 Li3 O6 -","- Al2 B4 Li6 O12 -","2","1","","He, M; Chen, X; Gramlich, V; Baerlocher, Ch; Zhou, T; Hu, B","Synthesis,structure, and thermal stability of Li~3~AlB~2~O~6~","Journal of Solid State Chemistry","2002","163","","369","376","10.1006/jssc.2001.9364","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100062","5.4632","0.0002","5.4632","0.0002","5.0859","0.0006","90","","90","","120","","131.5","","","","","","","","","","","","","4","P 63","P 6c","173","","Lithium Iron Iodate (1/0.3333/2/6)","","- Fe0.333 I2 Li O6 -","- Fe0.3334 I2 Li O6 -","- Fe0.3334 I2 Li O6 -","1","0.166667","","Lan, Y; Chen, X; Tao, Z; Xie, A; Jiang, P; Xu, T; Xu, Y","X-ray powder diffraction data and Rietveld refinement for a new iodate: (LiFe~1/3~)(IO~3~)~2~","Power Diffraction","2002","17","","132","134","10.1154/1.1460872","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100063","3.8089","0.0001","3.8089","0.0001","3.8089","0.0001","90","","90","","90","","55.2584","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Magnesium Carbon Nickel (1/1/3)","","- C Mg Ni3 -","- C Mg Ni3 -","- C Mg Ni3 -","1","0.0208333","","Wei, Z; Chen, X; Che, G; Wang, F; Jiang, P; Li, W; He, M","Debye temperature of the MgCNi~3~ superconductor","Chin. Phys. Lett","2002","19","","249","251","10.1088/0256-307X/19/2/334","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100065","6.505","0.0003","8.5172","0.0001","12.0213","0.0001","90","","118.72","0.07","90","","584.1","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium Yttrium Boron Oxide (3/1/2/6)","","- B2 Na3 O6 Y -","- B2 Na3 O6 Y -","- B8 Na12 O24 Y4 -","4","1","","Zhang, Y; Chen, X; Liang, J; Xu, T","Synthesis and structural study of new rarte earth sodium borates of Na~3~Ln(BO~2~)~3~(Ln=Y,Gd)","Journal of Alloys and Compounds","2002","333","","72","75","10.1016/S0925-8388(01)01689-9","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100066","9.048","0.001","9.047673","","6.704","0.001","90","","90","","120","","475.29","","","","","","","","","","","","","3","P63/m","","","hydroxylapatite","","","?","- Ca8 O28 P6 -","- Ca8 O28 P6 -","1","","","","Al2O3 - ZrO2 standard","","","","","","","","","","","","","0.696051","","","0.505776","","","","","0.717446","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100067","9.0429","0.0001","9.0429","0.0001","12.5664","0.0001","90","","90","","120","","889.834","0.03","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Strontium Boron Oxide (3/2/6)","","- B2 O6 Sr3 -","- B2 O6 Sr3 -","- B12 O36 Sr18 -","6","0.166667","","Wei, Z. F.; Chen, X. L.; Wang, F. M.; Li, W. C.; He, M.; Zhang, Y.","Phase relations in the ternary system SrO-TiO~2~-B~2~O~3~","Journal of Alloys and Compounds","2001","327","1-2","10","13","10.1016/S0925-8388(01)01564-X","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100069","6.819","0.002","6.747","0.002","6.506","0.002","94.23","0.02","96.76","0.02","101.72","0.02","289.6","","","","","","","","","","","","","4","P -1","-P 1","2","","Magnesium dithionate hexahydrate","","- H12 Mg O12 S2 -","- H12 Mg O12 S2 -","- H12 Mg O12 S2 -","1","0.5","","Black, W H; Griffith, E A H; Robertson, B E","M S~2~ O~6~ (H~2~ O)~6~ (M = Mg, Ni, Zn)","Acta Crystallographica B (24,1968-38,1982)","1975","31","","615","617","10.1107/S0567740875003408","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100070","9.397","0.01","14.555","0.015","6.864","0.009","90","","90","","90","","938.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Baggio, S; Amzel, L; Becka, L N","Refinement of the structure of magnesium thiosulfate hexahydrate, Mg S~2~ O~3~ (H~2~ O)~6~","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1650","2653","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1100072","9.32","0.01","14.36","0.04","6.87","0.01","90","","90","","90","","919.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Nardelli, M; Fava, G; Giraldi, G","The Crystal Structure of Magnesium Thiosulphate Hexahydrate","Acta Crystallographica (1,1948-23,1967)","1962","15","","227","231","10.1107/S0365110X62000560","","","","","","0.116","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100073","9.405","0.004","14.449","0.004","6.866","0.004","90","","90","","90","","933","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Elerman, Y; Fuess, H; Joswig, W","Hydrogen Bonding in Magnesium Thiosulphate Hexahydrate Mg S~2~ O~3~ (H~2~ O)~6~. A Neutron Diffraction Study","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1799","1801","10.1107/S0567740882007225","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100074","9.304","0.003","14.447","0.003","6.847","0.003","90","","90","","90","","920.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Elerman, Y; Fuess, H; Joswig, W","Hydrogen Bonding in Magnesium Thiosulphate Hexahydrate Mg S~2~ O~3~ (H~2~ O)~6~. A Neutron Diffraction Study","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1799","1801","10.1107/S0567740882007225","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100075","5.242","0.001","5.242","0.001","12.995","0.003","90","","90","","90","","357.1","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Magnesium hydroxide sulfate hydrate (1.3/.7/1/.3)","","- H1.3332 Mg1.3333 O4.9999 S -","- H1.3332 Mg1.332 O5 S -","- H5.3328 Mg5.328 O20 S4 -","4","0.125","","Keefer, K D; Hochella, M F jr.; de Jong, B H W S","The Structure of the Magnesium Hydroxide Sulfate Hydrate Mg S O~4~ (Mg (O H)~2~)~.3333~ (H~2~ O)~.3333~","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1003","1006","10.1107/S0567740881004949","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100076","4.742","","8.575","","6.699","","90","","90","","90","","272.4","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Magnesium sulfate - β","","- Mg O4 S -","- Mg O4 S -","- Mg4 O16 S4 -","4","0.5","","Coing-Boyat, J.","Structure de la forme hautes temperatures du sulfate anhydre de magnesium, β-MgSO~4~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences","1962","255","","1962","1964","","","","","","","0.144","","","","","","","","","","","","","","","has coordinates","200088","2020-10-21","18:00:00",""
"1100077","9.397","0.01","14.455","0.015","6.864","0.009","90","","90","","90","","932.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Baggio, S; Amzel, L M; Becka, L N","Refinement of the structure of magnesium thiosulphate hexahydrate, Mg S~2~ O~3~ (H~2~ O)~6~","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2650","2653","10.1107/S0567740869006200","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100078","9.324","0.002","14.461","0.004","6.862","0.001","90","","90","","90","","925.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Elerman, Y; Bats, J W; Fuess, H","Deformation Density in Complex Anions. IV. Magnesium Thiosulfate Hexahydrate, Mg S~2~ O~3~ * 6H2 O","Acta Crystallographica C (39,1983-)","1983","39","","515","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100079","9.324","0.002","14.461","0.004","6.862","0.001","90","","90","","90","","925.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Elerman, Y; Bats, J W; Fuess, H","Deformation Density in Complex Anions. IV. Magnesium Thiosulfate Hexahydrate, Mg S~2~ O~3~ * 6H2 O","Acta Crystallographica C (39,1983-)","1983","39","","515","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100080","5.933","0.002","5.933","0.002","5.933","0.002","96.28","0.02","96.28","0.02","96.28","0.02","204.8","","","","","","","","","","","","","4","R 3 :R","P 3*","146","","Magnesium sulfate(IV) hexahydrate","","- H12 Mg O9 S -","- H12 Mg O9 S -","- H12 Mg O9 S -","1","0.333333","","Anderson, L.; Lindquist, O.","Neutron Diffraction Refinement of Magnesium Sulfite Hexahydrate, MgSO~3~.(H~2~O)~6~","Acta Crystallographica, Section C: Crystal Structure Communications","1984","40","4","584","586","10.1107/S0108270184004972","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","184397","2020-10-21","18:00:00",""
"1100081","5.911","0.001","5.911","0.001","5.911","0.001","96.25","0.02","96.25","0.02","96.25","0.02","202.6","","","","","","","","","","","","","4","R 3 :R","P 3*","146","","Magnesium sulfite hexahydrate","","- H12 Mg O9 S -","- H12 Mg O9 S -","- H12 Mg O9 S -","1","0.333333","","Bats, J W; Fuess, H; Elerman, Y","Deformation density in magnesium sulfite hexahydrate.","Acta Crystallographica B (39,1983-)","1986","42","","552","557","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1100082","5.911","0.001","5.911","0.001","5.911","0.001","96.25","0.02","96.25","0.02","96.25","0.02","202.6","","","","","","","","","","","","","4","R 3 :R","P 3*","146","","Magnesium sulfite hexahydrate","","- H12 Mg O9 S -","- H12 Mg O9 S -","- H12 Mg O9 S -","1","0.333333","","Bats, J. W.; Fuess, H.; Elerman, Y.","Deformation density in magnesium sulfite hexahydrate","Acta Crystallographica B (39,1983-)","1986","42","6","552","557","10.1107/S0108768186097719","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100083","5.911","0.001","5.911","0.001","5.911","0.001","96.25","0.02","96.25","0.02","96.25","0.02","202.6","","","","","","","","","","","","","4","R 3 :R","P 3*","146","","Magnesium sulfite hexahydrate","","- H12 Mg O9 S -","- H12 Mg O9 S -","- H12 Mg O9 S -","1","0.333333","","Bats, J. W.; Fuess, H.; Elerman, Y.","Deformation density in magnesium sulfite hexahydrate","Acta Crystallographica B (39,1983-)","1986","42","6","552","557","10.1107/S0108768186097719","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100084","7.299","0.006","8.273","0.008","4.94","0.003","90","","99.9","0.06","90","","293.9","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Magnesium bis(hydrogensulfate)","","- H2 Mg O8 S2 -","- H2 Mg O8 S2 -","- H4 Mg2 O16 S4 -","2","0.5","","Simonov, M A; Troyanov, S I; Kemnitz, E; Haas, D; Kammler, M","Crystal structure of Mg (H S O~4~)~2~","Kristallografiya","1986","31","","1220","1221","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100085","5.091","0.004","15.329","0.006","7.882","0.006","90","","104.19","0.06","90","","596.3","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Magnesium bis(hydrogensulfate) bis(sulfuric acid)","","- H6 Mg O16 S4 -","- H6 Mg O16 S4 -","- H12 Mg2 O32 S8 -","2","0.5","","Troyanov, S I; Merinov, B V; Verin, I P; Kemnitz, E; Hass, D","Crystal structure of acid magnesium sulphate Mg:SO~3~(OH):~2~:SO~2~(OH)~2~:~2~","Kristallografiya","1990","35","","852","855","","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100086","8.623","0.002","5.014","0.001","15.428","0.003","90","","101.33","0.02","90","","654","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Magnesium hydrogensulfate hydrate","","- H4 Mg O9 S2 -","- H4 Mg O9 S2 -","- H16 Mg4 O36 S8 -","4","1","","Worzala, H; Schneider, M; Kemnitz, E; Trojanov, S I","Ueber die Bildung und Kristallstruktur von Mg(HSO~4~)~2~ * H~2~O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","596","","167","171","10.1002/zaac.19915960122","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100087","6.891","","7.624","","7.645","","90","","117.683","","90","","355.7","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Magnesium sulfate hydrate","Kieserite","- H2 Mg O5 S -","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","4","0.5","","Bregeault, J M; Herpin, P; Manoli, J M; Pannetier, G","Affinement de la structure de la Kieserite Mg (S O4) (H2 O)","Bulletin de la Societe Chimique de France (Vol=Year)","1970","1970","","4243","4248","","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100088","6.886","","7.61","","7.63","","90","","117.72","","90","","353.9","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Magnesium sulfate hydrate","Kieserite","- H2 Mg O5 S -","- H3 Mg O5 S -","- H12 Mg4 O20 S4 -","4","0.5","","Leonhardt, J; Weiss, R","Das Kristallgitter des Kieserits Mg S O4 H2 O","Naturwissenschaften","1957","44","","338","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100089","11.868","0.01","11.996","0.01","6.857","0.007","90","","90","","90","","976.2","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Magnesium sulfate heptahydrate","Epsomite","- H14 Mg O11 S -","- H14 Mg O11 S -","- H56 Mg4 O44 S4 -","4","1","","Ferraris, Giovanni; Jones, Derry W.; Yerkess, Jack","Refinement of the crystal structure of magnesium sulphate heptahydrate (epsomite) by neutron diffraction","Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999)","1973","1973","8","816","821","10.1039/dt9730000816","","","","","","","","","","","","","","","","","","","","","has coordinates","200381","2020-10-21","18:00:00",""
"1100090","5.922","0.006","13.604","0.004","7.905","0.005","90","","90.85","0.17","90","","636.8","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Magnesium sulfate tetrahydrate","Starkeyite","- H8 Mg O8 S -","- H8 Mg O8 S -","- H32 Mg4 O32 S4 -","4","1","","Baur, W. H.","On the crystal chemistry of salt hydrates. II. A neutron diffraction study of MgSO~4~.4H~2~O","Acta Crystallographica","1964","17","7","863","869","10.1107/S0365110X64002304","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","200382","2020-10-21","18:00:00",""
"1100091","11.868","0.01","11.996","0.01","6.857","0.007","90","","90","","90","","976.2","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Magnesium sulfate heptahydrate","Epsomite","- H14 Mg O11 S -","- H14 Mg O11 S -","- H56 Mg4 O44 S4 -","4","1","","Baur, W H","On the Crystal Chemistry of Salt Hydrates. IV. The Refinement of the Crystal Structure of Mg S O4 (H2 O)7 (Epsomite)","Acta Crystallographica (1,1948-23,1967)","1964","17","","1361","1369","10.1107/S0365110X64003449","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1100092","6.891","","7.624","","7.645","","90","","117.68","","90","","355.7","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Magnesium sulfate hydrate","Kieserite","?","- H4 Mg O5 S -","- H16 Mg4 O20 S4 -","4","0.5","","Bregeault, J M; Herpin, P; Coing-Boyat, J","","Bulletin de la Societe Chimique de France (Vol=Year)","1972","1972","","2247","2250","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100093","6.891","","7.624","","7.549","","90","","116.25","","90","","355.7","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Magnesium sulfate hydrate","Kieserite","?","- H4 Mg O5 S -","- H16 Mg4 O20 S4 -","4","0.5","","Coing-Boyat, J","","Bulletin de la Societe Chimique de France (Vol=Year)","1971","1971","","3863","3865","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100094","6.891","0.002","7.624","0.002","7.645","0.002","90","","117.7","0.02","90","","355.6","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Magnesium sulfate hydrate","Kieserite","?","- H4 Mg O5 S -","- H16 Mg4 O20 S4 -","4","0.5","","Hawthorne, F C; Groat, L A; Raudsepp, M; Ercit, T S","","Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)","1987","157","","121","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100095","15.895","0.001","3.105","0.001","13.367","0.001","90","","90","","90","","659.7","","","","","","","","","","","","","4","C c m m","-C 2c 2c","63","","Hexamagnesium dihydrogensulfate hydroxide","","- H14 Mg6 O16 S -","- H14 Mg6 O16 S -","- H28 Mg12 O32 S2 -","2","0.125","","Hamada, E.; Ishizawa, N.; Marumo, F.; Ohsumi, K.; Shimizugawa, Y.; Reizen, K.; Matsunami, T.","Structure of Mg~6~SO~2~(OH)~14~ determined by micro single-crystal X-ray diffraction","Acta Crystallographica B (39,1983-)","1996","52","2","266","269","10.1107/S0108768195014443","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","188422","2020-10-21","18:00:00",""
"1100096","6.314","0.005","10.565","0.018","6.03","0.006","81.12","0.2","109.82","0.2","105.08","0.05","364.4","","","","","","","","","","","","","4","P -1","-P 1","2","","Magnesium sulfate(VI) pentahydrate","Pentahydrite","- H10 Mg O9 S -","- H10 Mg O9 S -","- H20 Mg2 O18 S2 -","2","1","","Baur, W. H.; Rolin, J. L.","Salt hydrates. IX. The comparison of the crystal structure of magnesium sulfate pentahydrate with copper sulfate pentahydrate and magnesium chromate pentahydrate","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1972","28","5","1448","1455","10.1107/S0567740872004443","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","278162","2022-09-26","15:31:18",""
"1100097","5.922","0.006","13.604","0.004","7.905","0.005","90","","90.85","0.17","90","","636.8","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","Magnesium sulfate(VI) tetrahydrate","Starkeyite","- H8 Mg O8 S -","- H8 Mg O8 S -","- H32 Mg4 O32 S4 -","4","1","","Baur, W. H.","Zur Kristallchemie der Salzhydrate. Die Kristallstrukturen von MgSO~4~.4H~2~O (leonhardtit) und FeSO~4~.4H~2~O (rozenit)","Acta Crystallographica","1962","15","9","815","826","10.1107/S0365110X62002200","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1100098","5.254","0.002","5.254","0.002","12.971","0.007","90","","90","","90","","358.1","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Magnesium bis(sulfate(VI)) dihydroxide","Caminite","?","- H4 Mg3 O10 S2 -","- H8 Mg6 O20 S4 -","2","0.0625","","Yamnova, N A; Pushcharovskii, D Y; Apollonov, V N","","Vestnik Moskovskogo Universiteta, Geologiya","1989","5","","73","75","","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100099","7.454","0.001","7.454","0.001","12.885","0.002","90","","90","","90","","715.9","","","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Trimagnesium bis(sulfate(VI)) dihydroxide","","- H2 Mg3 O10 S2 -","- H3 Mg3 O10 S2 -","- H12 Mg12 O40 S8 -","4","0.5","","Fleet, M. E.; Knipe, S. W.","Structure of magnesium hydroxide sulfate (2(Mg S O4) . (Mg (O H)2)) and solid solution in magnesium hydroxide sulfate hydrate and caminite","Acta Crystallographica B (39,1983-)","1997","53","3","358","363","10.1107/S0108768197000104","","","","","","","","","","","","","","","","","","","","","has coordinates","188424","2020-10-21","18:00:00",""
"1100100","10.11","0.005","7.212","0.004","24.40999","0.01","90","","98.3","0.05","90","","1761.2","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Magnesium sulfate hexahydrate","Hexahydrite","?","- H12 Mg O10 S -","- H96 Mg8 O80 S8 -","8","1","","Zalkin, A.; Ruben, H.; Templeton, D. H.","The crystal structure and hydrogen bonding of magnesium sulfate hexahydrate","Acta Crystallographica (1,1948-23,1967)","1964","17","3","235","240","10.1107/S0365110X64000603","","","","","","0.115","","","","","","","","","","","","","","","has coordinates","189442","2020-10-21","18:00:00",""
"1100101","11.887","0.002","12.013","0.002","6.861","0.001","90","","90","","90","","979.7","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","Magnesium sulfate heptahydrate","Epsomite","- H14 Mg O11 S -","- H14 Mg O11 S -","- H56 Mg4 O44 S4 -","4","1","","Calleri, M.; Gavetti, A.; Ivaldi, G.; Rubbo, M.","Synthetic epsomite, MgSO~4~ . 7H~2~O: absolute configuration and surface features of the complementary {111} forms","Acta Crystallographica Section B","1984","40","3","218","222","10.1107/S0108768184002019","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1100102","4.699","0.001","12.751","0.003","5.618","0.001","90","","90.49","0.03","90","","336.6","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Magnesium sulfate(IV) hydrate","","- H2 Mg O4 S -","- H Mg O4 S -","- H4 Mg4 O16 S4 -","4","1","","Buchmeier, W.; Engelen, B.; Müller, H.","Kristallstruktur von MgSO~3~ * H~2~O","Zeitschrift für Naturforschung B","1998","53","2","131","134","10.1515/znb-1998-0201","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1100103","8.83","0.001","8.83","0.001","9.075","0.001","90","","90","","120","","612.8","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Magnesium sulfate(IV) hexahydrate","","- H12 Mg O9 S -","- H12 Mg O9 S -","- H36 Mg3 O27 S3 -","3","0.333333","","Flack, H","Etude de la structure cristalline du sulfite de magnesium hexahydrate, Mg S O3 (H2 O)6","Acta Crystallographica B (24,1968-38,1982)","1973","29","","656","658","10.1107/S0567740873003110","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100104","7.6891","","7.6891","","7.6891","","90","","90","","90","","454.6","","","","","","","","","","","","","5","F m -3 m","","","","","","- Co La Mn O6 Sr -","- Co4 La3.88 Mn4 O24 Sr4.112 -","- Co4 La3.88 Mn4 O24 Sr4.112 -","","","","J. Androulakis; N. Katsarakis; J. Giapintzakis; N. Vouroutzis; E. Pavlidou; K. Chrissafis; E. K. Polychroniadis; V. Perdikatsis","LaSrMnCoO6: A new cubic double perovskite oxide","Journal of Solid State Chemistry","2003","173","","350","354","10.1016/S0022-4596(03)00109-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100105","12.25","0.002","12.25","0.002","12.25","0.002","90","","90","","90","","1838.3","0.5","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- As3 Fe2 Na3 O12 -","- As3 Fe2 Na3 O12 -","- As24 Fe16 Na24 O96 -","8","0.0833333","","","","","","","","","","","","","0.71073","MoKα","","0.0225","0.0197","","","0.0504","0.0512","","","","","","1.368","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100106","5.411","0.004","9","0.5","10.25","0.02","90","","100.3","0.1","90","","491.12","","","","","","","","","","","","","0","C2:b1","","","Montmorillonite","","","?","","","1","","","","Clay Montmorillonite","","","","","","","","","","","","","0.0424064","","","0.063037","","","","","1.111","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100108","2.8680182","","2.8680182","","2.8680182","","90","","90","","90","","23.59","","","","","","","","","","","","","1","Im-3m","","","alfa-Fe","","","- Fe -","- Fe -","- Fe2 -","2","","","","Fe-5Al-20Ni(5to)0.1","","","","","","","","","","","","","0.0481614","","","0.0606272","","","","","1.17371","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1100109","8.21338","","8.26806","","8.32806","","90","","90.1443","","90","","565.55","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","?","- B24 H24 O24 -","- B24 H24 O24 -","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","209172","2020-10-21","18:00:00",""
"1100111","7.13566","","10.3924","","9.24771","","90","","92.9905","","90","","684.85","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B12 H12 N2 O12 -","- B12 H12 N2 O12 -","- B24 H24 N4 O24 -","2","0.5","","Daniel J. Stasko; Kevin J. Perzynski; Mark A. Wasil; Julia K. Brodbeck; Kristin Kirschbaum; Yong Wah Kim; Cora Lind","An Addition to the Oxoacid Family: H2B12(OH)12","Inorganic Chemistry","2004","43","","3786","3788","10.1021/ic049564k","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1100112","8.4171","0.0001","8.417067","","8.417067","","90","","90","","90","","596.33","","","","","","","","","","","","","4","Fd-3m:1","","","Ni0,5Zn0,5Fe2O4","","","- Fe2 Ni0.5 O4 Zn0.5 -","","","1","","","","","","","","","","","","","","","","","0.0424064","","","0.063037","","","","","1.16366","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100113","6.3004","0.0018","12.691","0.002","12.7423","0.0014","90.966","0.014","90.515","0.012","94.351","0.019","1015.72","","","","293","","","","","","","","","6","P -1","-P 1","2","","bis(Hexane-1,6-diammonium) hexa-fluoro-aluminium(iii) fluoride monohydrate","","- C12 H38 Al F7 N4 O -","- C18 H56 Al F13 N6 O -","- C36 H112 Al2 F26 N12 O2 -","2","1","","Touret, J.; Bourdon, X.; Leblanc, M.; Retoux, R.; Renaudin, J.; Maisonneuve, V.","Crystal structure of new hydroxide fluorides with isolated F- anions: [H~3~N(CH~2~)~6~NH~3~]~2~M(F, OH)~6~(F,OH)·H~2~O (M = Al, In)","Journal of Fluorine Chemistry","2001","110","2","133","138","10.1016/s0022-1139(01)00420-1","","","","","","","0.0449","","","0.0449","","","","","","","","","","","has coordinates","177548","2020-10-21","18:00:00",""
"1100114","6.4714","0.0003","12.9203","0.0009","13.0843","0.0006","90.16","0.006","90.683","0.004","94.138","0.005","1091.07","","","","293","","","","","","","","","6","P -1","-P 1","2","","bis(Hexane-1,6-diammonium) hexa-fluoro-indium(iii) fluoride monohydrate","","- C12 H38 F7 In N4 O -","- C18 H56 F13 In N6 O -","- C36 H112 F26 In2 N12 O2 -","2","1","","Touret, J.; Bourdon, X.; Leblanc, M.; Retoux, R.; Renaudin, J.; Maisonneuve, V.","Crystal structure of new hydroxide fluorides with isolated F- anions: [H~3~N(CH~2~)~6~NH~3~]~2~M(F, OH)~6~(F,OH)·H~2~O (M = Al, In)","Journal of Fluorine Chemistry","2001","110","2","133","138","10.1016/s0022-1139(01)00420-1","","","","","","","0.0309","","","0.0309","","","","","","","","","","","has coordinates","177548","2020-10-21","18:00:00",""
"1100115","7.887","0.006","5.502","0.005","15.812","0.003","90","","112.03","0.04","90","","636.053","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-(1,8-Octanediammonium (μ~2~-fluoro)-tetrafluoro-aluminium)","","- C8 H22 Al F5 N2 -","- C8 H22 Al F5 N2 -","- C16 H44 Al2 F10 N4 -","2","1","","E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve","Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds","Solid State Sciences","2002","4","","1213","1219","10.1016/S1293-2558(02)01384-5","","","","","","","0.0755","","","0.0755","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100116","7.881","0.005","5.489","0.002","18.36","0.01","90","","112.21","0.06","90","","735.303","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-(1,10-Decanediammonium (μ~2~-fluoro)-tetrafluoro-aluminium)","","- C10 H26 Al F5 N2 -","- C10 H26 Al F5 N2 -","- C20 H52 Al2 F10 N4 -","2","1","","E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve","Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds","Solid State Sciences","2002","4","","1213","1219","10.1016/S1293-2558(02)01384-5","","","","","","","0.0892","","","0.0892","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100117","7.8713","0.0003","5.4739","0.0004","20.898","0.002","90","","112.422","0.003","90","","832.354","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-(1,12-Dodecanediammonium (μ~2~-fluoro)-tetrafluoro-aluminium)","","- C12 H30 Al F5 N2 -","- C12 H30 Al F5 N2 -","- C24 H60 Al2 F10 N4 -","2","1","","E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve","Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds","Solid State Sciences","2002","4","","1213","1219","10.1016/S1293-2558(02)01384-5","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100118","8.493","0.0008","8.932","0.001","13.434","0.002","90","","97.141","0.008","90","","1011.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,4,8,11-Tetraazacyclodecane-1,4,8,11-tetraium bis(aquapentafluoroaluminate) dihydrate","","- C10 H36 Al2 F10 N4 O4 -","- C10 H36 Al2 F10 N4 O4 -","- C20 H72 Al4 F20 N8 O8 -","2","0.5","","Goreshnik, E.; Leblanc, M.; Maisonneuve, V.","1,4,8,11-Tetraazacyclodecane-1,4,8,11-tetraium bis(aquapentafluoroaluminate) dihydrate","Acta Crystallographica, Section E: Structure Reports Online","2003","59","11","1059","1061","10.1107/S1600536803023699","","","0.71069","MoKα","","0.1639","0.0632","","","0.1198","0.1508","","","","","","1.094","","","","has coordinates","297521","2025-01-29","07:25:19",""
"1100119","7.6996","0.0016","8.838","0.002","12.197","0.004","105.87","0.02","97.74","0.03","106.317","0.015","745.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[HN(CH2CH2NH3)3].(Al2F10).H2O","","","- C6 H24 Al2 F10 N4 O -","- C6 H24 Al2 F10 N4 O -","- C12 H48 Al4 F20 N8 O2 -","2","1","","K. Adil; M. Leblanc; V. Maisonneuve","[H~4~tren].(Al~2~F~10~).H~2~O","Acta Crystallographica, Section E","2004","60","10","m1379","m1381","10.1107/S1600536804020203","","","0.71069","MoKα","","0.0749","0.0432","","","0.1075","0.1233","","","","","","1.053","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1100120","6.6226","0.0006","11.494","0.002","9.021","0.002","90","","90","","90","","686.68","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dibarium Cobalt Dicarbonate Difluoride","","- C2 Ba2 Co F2 O6 -","- C2 Ba2 Co F2 O6 -","- C8 Ba8 Co4 F8 O24 -","4","0.5","","Ben Ali, A.; Maisonneuve, V.; Kodjikian, S.; Smiri, L. S.; Leblanc, M.","Synthesis, crystal structure and magnetic properties of a new fluoride carbonate Ba~2~Co(CO~3~)~2~F~2~","Solid State Sciences","2002","4","4","503","506","10.1016/S1293-2558(02)01274-8","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100121","4.912","0.0008","4.912","0.0008","9.919","0.001","90","","90","","120","","207.26","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Barium Manganese Carbonate Difluoride","","- C Ba F2 Mn O3 -","- C Ba F2 Mn O3 -","- C2 Ba2 F4 Mn2 O6 -","2","0.166667","","Ben Ali, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M.","Synthesis and crystal structure of Ba Zn (C O3) F2; revision of the structure of Ba Mn (C O3) F2","Solid State Sciences","2002","4","7","891","894","10.1016/S1293-2558(02)01339-0","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100122","4.8523","0.0008","4.8523","0.0008","9.854","0.001","90","","90","","120","","200.93","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Barium Zinc Carbonate Difluoride","","- C Ba F2 O3 Zn -","- C Ba F2 O3 Zn -","- C2 Ba2 F4 O6 Zn2 -","2","0.166667","","Ben Ali, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M.","Synthesis and crystal structure of Ba Zn (C O3) F2; revision of the structure of Ba Mn (C O3) F2","Solid State Sciences","2002","4","7","891","894","10.1016/S1293-2558(02)01339-0","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100123","6.15","0.003","12.32","0.05","14.549","0.014","91.7","0.2","90.51","0.04","93.21","0.07","1100.07","","","","293","","","","","","","","","4","P -1","-P 1","2","","(7R*,8R*,10R*)-(±)-10-Benzyloxymethyl-8-t-butoxy-7-iodo-1-oxacyclodecan-2-one","","- C21 H31 I O4 -","- C21 H31 I O4 -","- C42 H62 I2 O8 -","2","1","","A. Martel; V. Maisonneuve; E. Brown; G. Dujardin","","Synthesis","2003","","4","539","544","10.1055/s-2003-37657","","","","","","","0.1189","","","0.1189","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100124","7.78","","11.326","","17.873","","90.61","","96.13","","103.19","","1523.6","","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N9 O11 Pr -","- C25 H23 N9 O13 Pr -","- C50 H46 N18 O26 Pr2 -","2","1","","","","","","","","","","","","","0.7107","MoKα","","0.0291","0.0264","","","0.0615","0.0648","","","","","","1.12","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100126","7.6887","0.0003","7.6887","0.0003","28.87","0.001","90","","90","","120","","1478.03","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Dipotassium Trizirconium Oxide Dodecafluoride","","- F12 K2 O Zr3 -","- F12 K2 O Zr3 -","- F72 K12 O6 Zr18 -","6","0.166667","","Saada, M.A.; Hemon-Ribaud, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M.","K2 Zr3 O F12: microwave-assisted hydrothermal synthesis and powder diffraction study","Acta Crystallographica E, Structure Reports Online","2003","59","9","i131","i133","10.1107/S1600536803018567","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100127","17.44","0.006","6.1003","0.0017","11.2366","0.0014","90","","95.64","0.03","90","","1189.67","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Disodium Ytterbium Dicarbonate Fluoride","","- C2 F Na2 O6 Yb -","- C2 F Na2 O6 Yb -","- C16 F8 Na16 O48 Yb8 -","8","1","","Ben Ali, A.; Maisonneuve, V.; Leblanc, M.","Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2","Solid State Sciences","2002","4","11-12","1367","1375","10.1016/S1293-2558(02)00024-9","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100128","7.127","0.002","29.816","0.009","6.928","0.0004","90","","112.56","0.03","90","","1359.54","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Trisodium Ytterbium Dicarbonate Difluoride","","- C2 F2 Na3 O6 Yb -","- C2 F2 Na3 O6 Yb -","- C16 F16 Na24 O48 Yb8 -","8","2","","Ben Ali, A.; Maisonneuve, V.; Leblanc, M.","Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2","Solid State Sciences","2002","4","11-12","1367","1375","10.1016/S1293-2558(02)00024-9","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100129","12.209","0.003","10.085","0.004","8.783","0.004","90","","90.39","0.03","90","","1081.41","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pentasodium Yttrium Tetracarbonate","","- C4 Na5 O12 Y -","- C4 Na5 O12 Y -","- C16 Na20 O48 Y4 -","4","1","","Awaleh, M.O.; Ben Ali, A.; Maisonneuve, V.; Leblanc, M.","Microwave-assisted synthesis, crystal structures and thermal behaviour of Na5 Y (C O3)4 and Na5 Yb (C O3)4 * 2(H2 O)","Journal of Alloys Compd.","2003","349","1-2","114","120","10.1016/S0925-8388(02)00910-6","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100130","7.593","0.002","7.593","0.002","11.528","0.008","90","","90","","90","","664.63","","","","","","","","","","","","","5","P -4 21 c","P -4 2n","114","","Pentasodium Ytterbium Tetracarbonate Dihydrate","","- C4 H4 Na5 O14 Yb -","- C4 H4 Na5 O14 Yb -","- C8 H8 Na10 O28 Yb2 -","2","0.25","","Awaleh, M.O.; Ben Ali, A.; Maisonneuve, V.; Leblanc, M.","Microwave-assisted synthesis, crystal structures and thermal behaviour of Na5 Y (C O3)4 and Na5 Yb (C O3)4 * 2(H2 O)","Journal of Alloys Compd.","2003","349","1-2","114","120","10.1016/S0925-8388(02)00910-6","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1100131","8.1138","0.0005","11.471","0.001","12.8233","0.0009","90","","91.91","0.04","90","","1192.85","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sodium Rubidium Tetrahydroxopentaoxotetraborate Tetrahydrate","","- B4 H12 Na O13 Rb -","- B4 H12 Na O13 Rb -","- B16 H48 Na4 O52 Rb4 -","4","1","","Ben Ali, A.; Smiri, L.; Maisonneuve, V.","Crystal structure of Na Rb B4 O5 (O H)4 * 4(H2 O): comparison with other tetraborate hydrates","Journal of Alloys and Compounds","2001","322","1-2","153","159","10.1016/S0925-8388(01)01259-2","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100132","3.015","","3.015","","3.015","","90","","90","","90","","27.41","","","","","","","","","","","","","2","Pm-3m","","","austenite","","","- Ni Ti -","- Ni Ti -","- Ni Ti -","1","","","","","","","","","","","","","","","","","0","","","0","","","","","0","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100133","7.119","0.008","11.532","0.006","12.49","0.007","107.14","0.05","95.43","0.07","92.03","0.06","973.3","1.3","280","2","280","2","","","","","","","","5","P -1","-P 1","2","Bis(p-toluidinium) tetrachlorozincate(II)","Bis(p-toluidinium) tetrachlorozincate(II)","","- C14 H20 Cl4 N2 Zn -","- C14 H20 Cl4 N2 Zn -","- C28 H40 Cl8 N4 Zn2 -","2","1","","Rademeyer, M.","Bis(p-toluidinium) tetrachlorozincate(II)","Acta Crystallographica Section E","2005","61","","m304","m306","10.1107/S1600536805000747","","","0.71073","MoKα","","0.0789","0.0436","","","0.094","0.106","","","","","","0.895","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100134","16.514","0.0016","11.1559","0.0011","11.2834","0.0011","90","","115.974","0.002","90","","1868.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(μu-4,4'-Bipyridyl)-bis(2-methyllactate-O,O')-copper(II)","","- C18 H22 Cu N2 O6 -","- C18 H22 Cu N2 O6 -","- C72 H88 Cu4 N8 O24 -","4","0.5","","Carballo, Rosa; Vázquez-López, Ezequiel M.; Covelo, Berta; Castiñeiras, Alfonso","Coordination polymers of Copper(II) based on mixed N- and O-donor ligands: The crystal structures of [CuL~2~(4,4'-bipy)]~n~ (L = lactate or 2-methyllactate)'","Polyhedron","2001","20","9-10","899","904","10.1016/S0277-5387(01)00749-5","","","0.71073","MoKα","","0.0757","0.0497","","","0.1114","0.1203","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100135","14.443","0.002","11.2031","0.0016","5.3902","0.0008","90","","104.854","0.002","90","","843","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","catena-(μu-4,4'-Bipyridyl)-bis(lactate-O,O')-copper(II)","","- C16 H18 Cu N2 O6 -","- C16 H18 Cu N2 O6 -","- C32 H36 Cu2 N4 O12 -","2","0.25","","Carballo, Rosa; Vázquez-López, Ezequiel M.; Covelo, Berta; Castiñeiras, Alfonso","Coordination polymers of Copper(II) based on mixed N- and O-donor ligands: The crystal structures of [CuL~2~(4,4'-bipy)]~n~ (L = lactate or 2-methyllactate)'","Polyhedron","2001","20","9-10","899","904","10.1016/S0277-5387(01)00749-5","","","0.71073","MoKα","","0.0366","0.0345","","","0.0877","0.0885","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100136","4.0855","0.0001","4.0855","0.0001","4.0855","0.0001","90","","90","","90","","68.2","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","Silver - 3C","Silver","- Ag -","- Ag -","- Ag4 -","4","0.0208333","","Spreadborough, J; Christian, J W","High-temperature X-ray diffractometer","Journal of Scientific Instruments","1959","36","","116","118","10.1088/0950-7671/36/3/302","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1100137","10.5297","0.0006","12.6897","0.0008","6.9432","0.0004","90","","94.782","0.001","90","","924.51","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di(nitrate)bis(mu-7,8-dihydro-7-oxo-1,2,4-triazolo[4,3-a]pyrimidine-N1,N2) disilver(I) dihydrate","","- C10 H12 Ag2 N10 O10 -","- C10 H12 Ag2 N10 O10 -","- C20 H24 Ag4 N20 O20 -","2","0.5","","Sawsan Salameh; Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","","Inorganica Chimica Acta","2005","358","","824","827","10.1016/j.ica.2004.09.025","","","0.71073","MoKα","","0.0256","0.0232","","","0.0582","0.0592","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100138","4.07","0.01","4.07","0.01","4.07","0.01","90","","90","","90","","67.42","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","Gold - 3C","Gold","- Au -","- Au -","- Au4 -","4","0.0208333","","J. Spreadborough; J. W. Christian","High-temperature X-ray diffractometer","Journal of Scientific Instruments","1959","36","","116","118","10.1088/0950-7671/36/3/302","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1100139","11.3215","0.001","11.908","0.002","16.4596","0.0014","71.538","0.017","71.675","0.007","78.681","0.013","1986.6","0.5","295","1","295","1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H37 Au Br4 N12 O9 -","- C27 H30 Au Br4 N12 O9 -","- C54 H60 Au2 Br8 N24 O18 -","2","1","","Esther R. Acuna-Cueva; Sonia B. Jimenez-Pulido; Miguel N. Moreno-Carretero; Miguel Quiros","","Structural Chemistry","2004","15","","159","163","10.1023/B:STUC.0000011250.33484.84","","","0.71073","MoKα","","0.1194","0.089","","","0.2346","0.2771","","","","","","1.017","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100140","17.076","0.003","19.341","0.003","13.481","0.002","90","","90","","90","","4452.3","1.2","100","2","100","2","","","","","","","","6","P n n 2","P 2 -2n","34","(Cu3Cl2(OH)3(2-pymo)(4,4'-bpy)1.5)n(NO3)n.6.25nH2O","","","- C34 H41.5 Cl2 Cu3 N9 O12.25 -","- C34 H27 Cl2 Cu3 N9 O12.25 -","- C136 H108 Cl8 Cu12 N36 O49 -","4","1","","Barea, Elisa; Quiros, Miguel; Navarro, Jorge A. R.; Salas, Juan M.","Heteroleptic pyrimidine-2-olate and 4,4[prime or minute]-bipyridine copper(II) layered metal-organic frameworks with swelling properties.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1743","1746","10.1039/b500942a","","","0.71073","MoKα","","0.1154","0.0841","","","0.201","0.2176","","","","","","1.099","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100141","7.4026","0.0011","15.023","0.002","12.308","0.0018","90","","90","","90","","1368.8","0.3","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","","","","","","","","","","","","0.71073","MoKα","","0.1067","0.0545","","","0.0887","0.106","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100142","10.0218","0.0009","9.3216","0.0008","16.2203","0.0013","90","","112.962","0.006","90","","1395.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cl Co Cr2 H20 N6 O8 -","- Cl Co Cr2 H20 N6 O8 -","- Cl4 Co4 Cr8 H80 N24 O32 -","4","1","","Raj Pal Sharma; Ritu Bala; Rajni Sharma; Juan M. Salas; Miguel Quiros","","Journal of Coordination Chemistry","2005","58","","217","223","10.1080/0095897042000327888","","","0.71073","MoKα","","0.0373","0.0326","","0.0949","0.0906","","","","1.072","1.091","1.091","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100143","12.195","0.0006","9.0317","0.0005","12.6017","0.0007","90","","113.419","0.001","90","","1273.63","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H16 Co N11 S -","- C5 H16 Co N11 S -","- C20 H64 Co4 N44 S4 -","4","1","","Raj Pal Sharma; Rajni Sharma; Ritu Bala; Miguel Quiros; Juan M. Salas","","Journal of Coordination Chemistry","2003","56","","1581","1586","10.1080/00958970310001641673","","","0.71073","MoKα","","0.0297","0.0262","","","0.0678","0.0697","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100144","13.2319","0.0009","8.1677","0.0007","12.9061","0.0009","90","","109.305","0.005","90","","1316.39","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Co N10 O12 -","- C18 H24 Co N10 O12 -","- C36 H48 Co2 N20 O24 -","2","0.5","","Esther R. Acuna-Cueva; Rene Faure; Nuria A. Illan-Cabeza; Sonia B. Jimenez-Pulido; Miguel N. Moreno-Carretero; Miguel Quiros","","Inorganica Chimica Acta","2003","342","","209","218","10.1016/S0020-1693(02)01165-9","","","0.71073","MoKα","","0.1266","0.0571","","","0.1248","0.154","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100145","15.1701","0.001","8.0805","0.0006","17.7233","0.0017","90","","103.022","0.006","90","","2116.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cu N10 O12 -","- C14 H16 Cu N10 O12 -","- C56 H64 Cu4 N40 O48 -","4","0.5","","Esther R. Acuna-Cueva; Rene Faure; Nuria A. Illan-Cabeza; Sonia B. Jimenez-Pulido; Miguel N. Moreno-Carretero; Miguel Quiros","","Inorganica Chimica Acta","2003","342","","209","218","10.1016/S0020-1693(02)01165-9","","","0.71073","MoKα","","0.0446","0.0359","","","0.0959","0.1014","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100146","8.8152","0.001","10.0526","0.0012","15.344","0.002","90","","91.521","0.009","90","","1359.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Cl2 Cu N4 O3 -","- C9 H12 Cl2 Cu N4 O3 -","- C36 H48 Cl8 Cu4 N16 O12 -","4","1","","Esther R. Acuna-Cueva; Rene Faure; Nuria A. Illan-Cabeza; Sonia B. Jimenez-Pulido; Miguel N. Moreno-Carretero; Miguel Quiros","","Inorganica Chimica Acta","2003","351","","356","362","10.1016/S0020-1693(03)00172-5","","","0.71073","MoKα","","0.0504","0.0411","","","0.1111","0.1178","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100147","9.2608","0.001","10.3755","0.0011","12.9865","0.0014","85.76","0.002","75.915","0.002","73","0.002","1157.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(2,2'-bipyridine-N,N')-dichloro-bis(mu!3$-hydroxo) -bis(mu!2$-hydroxo)-tetracopper(II) dichloride hexahydrate","","- C40 H48 Cl4 Cu4 N8 O10 -","- C40 H48 Cl4 Cu4 N8 O10 -","- C40 H48 Cl4 Cu4 N8 O10 -","1","0.5","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Garcia-Martinez, Emilia; Covelo, Berta; Castineiras, Alfonso","An X-Ray Study of the Crystal Structure of a new stepped- cubane tetranuclear copper(II) compound, [Cu~4~(μ~2~-OH) ~2~(μ~3~-OH)~2~Cl~2~(bipy)~4~]Cl~2~.6H~2~O","Z. Anorg. Allg. Chem.","2002","628","","907","908","10.1002/1521-3749(200206)628:5<907::AID-ZAAC907>3.0.CO;2-K","","","0.71073","MoKα","","0.1255","0.0529","","","0.0908","0.1055","","","","","","0.832","","","","has coordinates","198667","2020-10-21","18:00:00",""
"1100149","9.556","0.0017","13.408","0.003","14.48","0.003","108.097","0.004","94.267","0.005","110.194","0.004","1620.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaqua-bis(1,10-phenanthroline-N,N')cobalt(II) acetate hexahydrate","","- C28 H38 Co N4 O12 -","- C28 H38 Co N4 O12 -","- C56 H76 Co2 N8 O24 -","2","1","","Carballo, Rosa; Covelo, Berta; Vazquez-Lopez, Ezequiel M.; Garcia-Martinez, Emilia","Unexpected formation and crystal structures of the mixed ligand complexes [Cu(OAc)(bipy)2]Cl.4H2O.1/2MeOH and [Co(OH2)2(phen)2](AcO)2. 6H2O","Z. Anorg. Allg. Chem.","2003","629","","244","248","10.1002/zaac.200390039","","","0.71073","MoKα","","0.1578","0.0503","","","0.0736","0.0923","","","","","","0.724","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100150","8.8328","0.0008","10.5365","0.001","14.4604","0.0014","96.512","0.002","104.786","0.002","92.26","0.002","1289.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Acetato-O)-bis(2,2'-bipyridine-N,N')copper(II) chloride tetrahydrate methanol hemisolvate","","- C22.5 H29 Cl Cu N4 O6.5 -","- C22.5 H19.5 Cl Cu N4 O6.5 -","- C45 H39 Cl2 Cu2 N8 O13 -","2","1","","Carballo, Rosa; Covelo, Berta; Vazquez-Lopez, Ezequiel M.; Garcia-Martinez, Emilia","Unexpected formation and crystal structures of the mixed ligand complexes [Cu(OAc)(bipy)2]Cl.4H2O.1/2MeOH and [Co(OH2)2(phen)2](AcO)2. 6H2O","Z. Anorg. Allg. Chem.","2003","629","","244","248","10.1002/zaac.200390039","","","0.71073","MoKα","","0.0812","0.0611","","","0.1712","0.1822","","","","","","1.016","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100151","29.437","0.004","10.2477","0.0014","24.223","0.003","90","","111.758","0.003","90","","6786.5","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-methyllactato-O,O')(1,10-phenanthroline-N,N') copper(II) dihydrate","","- C20 H26 Cu N2 O8 -","- C20 H26 Cu N2 O8 -","- C240 H312 Cu12 N24 O96 -","12","1.5","","Carballo, Rosa; Covelo, Berta; VVázquez-López, Ezequiel M.; Castiñeiras, Alfonso; Niclos, Juan","Synthesis and structural characterization of the mixed ligand complex [Cu(HmL)2(phen)].2H2O (H2mL = 2-methyllactic acid)","Zeitschrift für Naturforschung B","2003","58","1","151","154","10.1515/znb-2003-0122","","","0.71073","MoKα","","0.1546","0.0464","","","0.0763","0.0933","","","","","","0.756","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100152","19.666","0.002","11.7586","0.0008","13.4808","0.0009","90","","103.69","0.008","90","","3028.8","0.5","295","1","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(2,2'-biimidazole)copper(II) perchlorate bis(4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-one","","- C22 H20 Cl2 Cu N16 O10 -","- C22 H20 Cl2 Cu N16 O10 -","- C88 H80 Cl8 Cu4 N64 O40 -","4","0.5","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","Structure of the adduct of bis(2,2'biimidazole)copper(II) perchlorate with 4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-one","Journal of Chemical Crystallography","2004","34","8","549","552","10.1023/B:JOCC.0000042024.70444.a0","","","0.71073","MoKα","","0.1388","0.0806","","","0.1905","0.2456","","","","","","1.025","","","","has coordinates,has disorder","301773","2025-08-18","12:42:41",""
"1100153","7.5397","0.0016","10.5338","0.0019","10.907","0.002","90","","109.557","0.017","90","","816.3","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca4 F2 O7 Si2 -","- Ca4 F2 O7 Si2 -","- Ca16 F8 O28 Si8 -","4","1","","Kruger, Hannes; Kahlenberg, Volker","","","","","","","","","","","0.71073","MoKα","","0.0538","0.0341","","","0.0614","0.0664","","","","","","1.045","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100155","12.78","0.02","17.04","0.03","19.13","0.05","90","","104.82","0.02","90","","4027.5","1.4","173.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 Cl2 I N3 Ni O2 -","- C24.6667 Cl2.66667 I0.666667 N2 Ni0.666667 -","- C148 Cl16 I4 N12 Ni4 -","6","1.5","","","","","","","","","","","","","0.7107","MoKα","","","0.126","","","","0.374","","","","","","1.346","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100156","9.17","0.003","10.936","0.003","12.717","0.004","106.91","0.007","110.208","0.006","90.172","0.007","1137.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N4 Ni O6 -","- C22 H22 N4 Ni O6 -","- C44 H44 N8 Ni2 O12 -","2","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.1784","0.0541","","","0.0629","0.0816","","","","","","0.644","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100157","9.2191","0.0011","29.972","0.004","12.5644","0.0015","90","","94.428","0.003","90","","3461.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H34 N6 Ni O6 -","- C37 H34 N6 Ni O6 -","- C148 H136 N24 Ni4 O24 -","4","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.2271","0.1056","","","0.1633","0.2022","","","","","","1.072","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100158","5.528","0.002","7.267","0.003","13.626","0.005","75.045","0.005","85.826","0.006","75.613","0.007","512.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 Cu N2 O6 -","- C7 H10 Cu N2 O6 -","- C14 H20 Cu2 N4 O12 -","2","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.0965","0.0675","","","0.1157","0.1259","","","","","","1.092","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100159","5.422","0.003","13.436","0.007","17","0.009","90","","92.324","0.011","90","","1237.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Cu N2 O6 -","- C9 H14 Cu N2 O6 -","- C36 H56 Cu4 N8 O24 -","4","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.2235","0.0495","","","0.0686","0.0926","","","","","","0.753","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100160","9.6623","0.0015","17.63","0.003","9.7978","0.0016","90","","118.748","0.003","90","","1463.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 Cu N2 O6 -","- C11 H18 Cu N2 O6 -","- C44 H72 Cu4 N8 O24 -","4","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.1503","0.0448","","","0.0511","0.0634","","","","","","0.694","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100161","20.4557","0.0018","10.4408","0.0009","15.0918","0.0013","90","","90","","90","","3223.2","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H19 N4 O6.5 Zn -","- C12 H18 N4 O6.5 Zn -","- C96 H144 N32 O52 Zn8 -","8","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.1021","0.0401","","","0.0869","0.0986","","","","","","0.924","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100162","10.7634","0.0009","10.7634","0.0009","16.442","0.003","90","","90","","90","","1904.8","0.4","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H22 N4 O6 Zn -","- C14 H22 N4 O6 Zn -","- C56 H88 N16 O24 Zn4 -","4","0.5","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.0369","0.0326","","","0.0809","0.0828","","","","","","1.157","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100163","12.9507","0.0017","9.0191","0.0011","22.209","0.003","90","","119.763","0.006","90","","2251.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N12 O6 Zn -","- C46 H46 N12 O6 Zn -","- C92 H92 N24 O12 Zn2 -","2","0.5","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.1162","0.0621","","","0.1005","0.1152","","","","","","1.048","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100164","19.392","0.007","8.477","0.003","11.412","0.004","90","","111.795","0.007","90","","1741.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 N4 Ni O6 -","- C14 H22 N4 Ni O6 -","- C56 H88 N16 Ni4 O24 -","4","0.5","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.0409","0.0317","","","0.0663","0.0691","","","","","","1.059","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100165","7.543","0.0008","13.1384","0.0012","17.2599","0.001","90","","90","","90","","1710.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diaqua bis(4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-one-N3)zinc(II) tetrah","","- C10 H18 N8 O8 Zn -","- C10 H18 N8 O8 Zn -","- C40 H72 N32 O32 Zn4 -","4","0.5","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","","Polyhedron","2004","23","","743","747","10.1016/j.poly.2003.11.052","","","0.71073","MoKα","","0.1402","0.0872","","","0.2186","0.276","","","","","","1.025","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100166","17.417","0.003","21.402","0.004","11.298","0.002","90","","117.15","0.03","90","","3747.4","1.2","546","2","546","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44.75 H32 Ag O2 P2 -","- C44.82 H32 Ag O2 P2 -","- C179.28 H128 Ag4 O8 P8 -","4","0.5","","Norie Momiyama; Hisashi Yamamoto","Enantioselective O- and N-Nitroso Aldol Synthesis of Tin Enolates. Isolation of Three BINAP-Silver Complexes and Their Role in Regio- and Enantioselectivity","Journal of the American Chemical Society","2004","126","","5360","5361","10.1021/ja039103i","","","0.71073","MoKα","","0.0963","0.094","","","0.3306","0.3336","","","","","","1.587","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100167","5.53649","0.00005","5.74713","0.00005","7.69259","0.00007","90","","90","","90","","244.77","0.004","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- La Mn O3 -","- La4 Mn4 O12 -","- La4 Mn4 O12 -","","","","","","","","","","","","","powder diffraction","neutron","1.2272","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.9552","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100168","6.5185","0.0009","7.5119","0.0011","10.7736","0.0009","94.351","0.01","106.036","0.008","109.334","0.014","470.21","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Br2 N8 O4 Pd -","- C14 H12 Br2 N8 O4 Pd -","- C14 H12 Br2 N8 O4 Pd -","1","0.5","","Esther R. Acuna-Cueva; Rene Faure; Nuria A. Illan-Cabeza; Sonia B. Jimenez-Pulido; Miguel N. Moreno-Carretero; Miguel Quiros","","Polyhedron","2003","22","","483","488","10.1016/S0277-5387(02)01374-8","","","0.71073","MoKα","","0.0953","0.072","","","0.1998","0.2209","","","","","","1.074","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100169","12.864","0.002","14.634","0.002","30.703","0.003","90","","90","","90","","5779.7","1.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Tetrakis(4,5-dihydro-1,2,4-triazolo[1,5-a]pyrimidinate-5-one-mu-N3,N4) dipalladium(II) tetrahydrate","","- C20 H20 N16 O8 Pd2 -","- C20 H12 N16 O8 Pd2 -","- C160 H96 N128 O64 Pd16 -","8","1","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","","Polyhedron","2004","23","","2373","2379","10.1016/j.poly.2004.07.024","","","0.71073","MoKα","","0.0857","0.0765","","","0.1864","0.1972","","","","","","1.256","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100170","19.688","0.012","14.219","0.012","14.448","0.006","90","","110.02","0.04","90","","3800","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(4,5-dihydro-1,2,4-triazolo[1,5-a]pyrimidinate-5-one-mu-N3-N4) bis(phenanthroline)dipalladium(II) nitrate tetrahydrate","","- C34 H30 N14 O12 Pd2 -","- C34 H22 N14 O12 Pd2 -","- C136 H88 N56 O48 Pd8 -","4","0.5","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","","Polyhedron","2004","23","","2373","2379","10.1016/j.poly.2004.07.024","","","0.71073","MoKα","","0.1484","0.0793","","","0.192","0.2325","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100171","10.2842","0.0015","18.92","0.003","18.45","0.003","90","","104.117","0.01","90","","3481.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4,5-dihydro-1,2,4-triazolo[1,5-a]pyrimidinate-5-one-mu-N3,N4) bis(trans-diaminociclohexane) dipalladium(II) nitrate tetrahydrate","","- C22 H40 N14 O11 Pd2 -","- C22 H34 N14 O11 Pd2 -","- C88 H136 N56 O44 Pd8 -","4","1","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","","Polyhedron","2004","23","","2373","2379","10.1016/j.poly.2004.07.024","","","0.71073","MoKα","","0.0604","0.0487","","","0.1171","0.1238","","","","","","1.136","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100172","10.432","0.0003","5.645","0.0002","16.783","0.0002","90","","94.943","0.003","90","","984.65","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-Phynylglycinium nitrate","D-Phenylglycinium nitrate","","- C8 H10 N2 O5 -","- C8 H10 N2 O5 -","- C32 H40 N8 O20 -","4","2","","Bouchouit, Karim; Bendheif, Leulmi; Benali-Cherif, Nouredine","D-Phenylglycinium nitrate","Acta Crystallographica, Section E","2004","60","","o272","o274","10.1107/S1600536804000972","","","0.71073","MoKα","","0.0858","0.0563","","","0.116","0.1381","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100173","9.3531","0.0011","10.5002","0.0013","15.9","0.002","90","","90","","90","","1561.53","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O4 -","- C15 H22 N2 O4 -","- C60 H88 N8 O16 -","4","1","","Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus","Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone","European Journal of Organic Chemistry","1999","1999","11","2977","2990","10.1002/(sici)1099-0690(199911)1999:11<2977::aid-ejoc2977>3.0.co;2-3","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100174","19.349","0.002","10.7833","0.0007","19.663","0.002","90","","111.04","0.008","90","","3829.09","","","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrakis(Triethylphosphoraneimino-N)-nickel(ii) di-iodide","","- C24 H64 I2 N4 Ni P4 -","- C27 H74 I2 N4 Ni P4 -","- C108 H296 I8 N16 Ni4 P16 -","4","1","","Gröb, Thorsten; Neumüller, Bernhard; Harms, Klaus; Schmock, Fritjof; Greiner, Andreas; Dehnicke, Kurt","Die Kristallstrukturen vontrans-[NiBr~2~(Pyridin)~4~] und [Ni(HNPEt~3~)~4~]I~2~","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","8","1928","1931","10.1002/1521-3749(200108)627:8<1928::AID-ZAAC1928>3.0.CO;2-V","","","","","","","4.3","","","4.3","","","","","","","","","","","has coordinates,has disorder","183538","2020-10-21","18:00:00",""
"1100175","20.0757","0.001","20.642","0.001","21.1595","0.0011","109.193","0.004","111.285","0.004","96.879","0.004","7425.96","","","","193","","","","","","","","","6","P -1","-P 1","2","","tetrakis(Triphenylphosphoraneiminato)-hafnium tetrahydrofuran solvate","","- C84 H84 Hf N4 O3 P4 -","- C84 H84 Hf N4 O3 P4 -","- C336 H336 Hf4 N16 O12 P16 -","4","2","","Gröb, Thorsten; Harms, Klaus; Dehnicke, Kurt","Phosphaniminato-Komplexe des Hafniums. Die Kristallstrukturen von [Hf(NPPh~3~)~4~] · 3 THF und [Hf(NPPh~3~)~2~Cl~2~(HNPPh~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","8","1801","1806","10.1002/1521-3749(200108)627:8<1801::AID-ZAAC1801>3.0.CO;2-9","","","","","","","5.06","","","5.06","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100176","14.4397","0.001","19.2812","0.0014","24.5579","0.0017","67.273","0.008","87.445","0.008","87.082","0.008","6295.93","","","","193","","","","","","","","","6","P -1","-P 1","2","","trans-Dichloro-bis(triphenylphosphoraneimine)-bis(triphenylphosphoraneiminato)-hafnium","","- C72 H62 Cl2 Hf N4 P4 -","- C72 H62 Cl2 Hf N4 P4 -","- C288 H248 Cl8 Hf4 N16 P16 -","4","2","","Gröb, Thorsten; Harms, Klaus; Dehnicke, Kurt","Phosphaniminato-Komplexe des Hafniums. Die Kristallstrukturen von [Hf(NPPh~3~)~4~] · 3 THF und [Hf(NPPh~3~)~2~Cl~2~(HNPPh~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","8","1801","1806","10.1002/1521-3749(200108)627:8<1801::AID-ZAAC1801>3.0.CO;2-9","","","","","","","3.12","","","3.12","","","","","","","","","","","has coordinates","176967","2020-10-21","18:00:00",""
"1100177","7.685","0.002","5.006","0.001","18.58","0.005","90","","97.94","0.02","90","","707.941","","","","213","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S,R)-1-Chloro-2-phenylethyl p-tolyl sulfoxide","","- C15 H15 Cl O S -","- C21 H22 Cl O S -","- C42 H44 Cl2 O2 S2 -","2","1","","Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus","Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents","Chemistry - A European Journal","2000","6","18","3359","3365","10.1002/1521-3765(20000915)6:18<3359::AID-CHEM3359>3.0.CO;2-U","","","","","","","7","","","7","","","","","","","","","","","has coordinates","177552","2020-10-21","18:00:00",""
"1100178","7.842","0.001","12.127","0.001","12.973","0.001","65.76","0.01","86.43","0.01","81.31","0.01","1112.04","","","","223","","","","","","","","","4","P -1","-P 1","2","","3-(Diphenylmethyl)pent-2-yl 3,5-dinitrobenzoate","","- C25 H24 N2 O6 -","- C25 H24 N2 O6 -","- C50 H48 N4 O12 -","2","1","","Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul","Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules","Journal of the American Chemical Society","2000","122","41","10218","10219","10.1021/ja001283y","","","","","","","4.44","","","4.44","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100179","23.056","0.001","23.056","0.001","7.325","0.001","90","","90","","120","","3372.15","","","","223","","","","","","","","","3","R 3 :H","R 3","146","","3,4-Diphenylhexan-2-ol","","- C18 H22 O -","- C18 H22 O -","- C162 H198 O9 -","9","1","","Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul","Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules","Journal of the American Chemical Society","2000","122","41","10218","10219","10.1021/ja001283y","","","","","","","3.05","","","3.05","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100180","22.864","0.001","22.864","0.001","7.229","0.001","90","","90","","120","","3272.75","","","","223","","","","","","","","","3","R 3 :H","R 3","146","","3,4-Diphenylpentan-2-ol","","- C17 H20 O -","- C17 H20 O -","- C153 H180 O9 -","9","1","","Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul","Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules","Journal of the American Chemical Society","2000","122","41","10218","10219","10.1021/ja001283y","","","","","","","4.89","","","4.89","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100181","9.19","0.0008","19.6516","0.0018","24.0125","0.0019","96.748","0.01","94.827","0.01","91.72","0.011","4287.81","","","","193","","","","","","","","","7","P -1","-P 1","2","","Amino-triphenylphosphonium tetrakis(isothiocyanato)-bis(1,2-dimethoxyethane-O, O')-samarium(iii) diethyl ether solvate","","- C34 H47 N5 O5 P S4 Sm -","- C34 H47 N5 O5 P S4 Sm -","- C136 H188 N20 O20 P4 S16 Sm4 -","4","2","","Gröb, Thorsten; Harms, Klaus; Dehnicke, Kurt","Kristallstruktur des Isothiocyanato-Komplexes [Ph~3~PNH~2~(OEt~2~)][Sm(NCS)~4~(DME)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","2","125","127","10.1002/1521-3749(200102)627:2<125::AID-ZAAC125>3.0.CO;2-O","","","","","","","2.91","","","2.91","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100182","7.8902","0.0002","5.8375","0.0003","20.5524","0.0007","90","","94.175","0.004","90","","944.112","","","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","threo-4-(Chloro(phenyl)methyl)-1,3-oxazolidin-2-one","","- C10 H10 Cl N O2 -","- C10 H10 Cl N O2 -","- C40 H40 Cl4 N4 O8 -","4","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Iron(II)-catalyzed intramolecular aminochlorination of alkenes","Chemical Communications (Cambridge, United Kingdom)","2000","","4","287","288","10.1039/a909009f","","","","","","","4.59","","","4.59","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100183","8.52","0.001","12.123","0.001","24.105","0.001","90","","90","","90","","2489.76","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Menthan-7-yl 2,4,7-trimethyl-2,4-trimethylene-5-pentane lactam-7-carboxylate d ichloromethane solvate","","- C23 H39 Cl2 N O3 -","- C23 H39 Cl2 N O3 -","- C92 H156 Cl8 N4 O12 -","4","1","","T.Bach; H.Bergmann; K.Harms","","Angew.Chem.,Int.Ed.Engl.","2000","39","","2302","","10.1002/1521-3773(20000703)39:13<2302::AID-ANIE2302>3.0.CO;2-6","","","","","","","6.08","","","6.08","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100184","8.4889","0.0008","10.5945","0.0008","12.2789","0.0007","90","","93.793","0.006","90","","1101.89","","","","188","","","","","","","","","5","P 1 21 1","P 2yb","4","","Di-iodo-tris(dimethoxyethane)-europium","","- C12 H30 Eu I2 O6 -","- C12 H30 Eu I2 O6 -","- C24 H60 Eu2 I4 O12 -","2","1","","T.Grob; G.Seybert; W.Massa; K.Harms; K.Dehnicke","","Z.Anorg.Allg.Chem.","2000","626","","1361","","10.1002/(SICI)1521-3749(200006)626:6<1361::AID-ZAAC1361>3.0.CO;2-X","","","","","","","2.46","","","2.46","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100185","14.055","0.0014","16.522","0.0015","22.037","0.002","89.404","0.011","72.958","0.011","78.657","0.011","4791","","","","193","","","","","","","","","7","P -1","-P 1","2","","bis(μ~2~-Triphenylphosphoraneiminato)-iodo-tris(triphenylphosphoraneiminato)- dimethoxyethane-di-europium dimethoxyethane solvate","","- C102 H105 Eu2 I N5 O6 P5 -","- C102 H105 Eu2 I N5 O6 P5 -","- C204 H210 Eu4 I2 N10 O12 P10 -","2","1","","T.Grob; G.Seybert; W.Massa; K.Harms; K.Dehnicke","","Z.Anorg.Allg.Chem.","2000","626","","1361","","10.1002/(SICI)1521-3749(200006)626:6<1361::AID-ZAAC1361>3.0.CO;2-X","","","","","","","3.91","","","3.91","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100186","17.3969","0.0018","17.701","0.002","21.538","0.003","74.929","0.015","84.223","0.014","64.612","0.012","5785.4","","","","103","","","","","","","","","7","P -1","-P 1","2","","(μ~2~-Iodo)-bis((μ~2~-triphenylphosphoraneiminato)-triphenylphosphoraneimina to-bis(tetrahydrofuran)-yttrium) tri-iodide tetrahydrofuran solvate","","- C114 H144 I4 N4 O10.5 P4 Y2 -","- C116 H152 I11 N4 O12 P4 Y2 -","- C232 H304 I22 N8 O24 P8 Y4 -","2","1","","T.Grob; G.Seybert; W.Massa; K.Harms; K.Dehnicke","","Z.Anorg.Allg.Chem.","2000","626","","1361","","10.1002/(SICI)1521-3749(200006)626:6<1361::AID-ZAAC1361>3.0.CO;2-X","","","","","","","6.38","","","6.38","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100187","28.224","0.001","28.224","0.001","15.262","0.001","90","","90","","120","","10528.8","","","","293","","","","","","","","","5","R 3 :H","R 3","146","","p-Menth-3-yl 1,3,5-trimethylcyclohexane-1,3-dicarboximide-5-carboxylate dichloromethane solvate","","- C22.17 H35.34 Cl0.34 N O4 -","- C22.1667 H35 Cl N O4 -","- C399 H630 Cl18 N18 O72 -","18","2","","Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt","Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution","Synthesis","2001","2001","9","1395","1405","10.1055/s-2001-15231","","","","","","","5.16","","","5.16","","","","","","","","","","","has coordinates","178092","2020-10-21","18:00:00",""
"1100188","11.372","0.002","14.9124","0.0013","11.545","0.003","90","","111.665","0.019","90","","1819.54","","","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-1,5,7-Trimethyl-7-(1'-oxa-3'-azacyclopenta(b)naphthalen-2'-yl)-3-azabicyclo(3.3.1)nonan-2-one","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt","Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution","Synthesis","2001","2001","9","1395","1405","10.1055/s-2001-15231","","","","","","","6.49","","","6.49","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100189","7.6041","0.0008","15.9342","0.0011","16.4592","0.0011","90","","90","","90","","1994.28","","","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","ent-1,5,7-Trimethyl-7-(5',6',7',8'-tetrahydro-1'-oxa-3'-azacyclopenta(b)naphthalen-2'-yl)-3-azabicyclo(3.3.1)nonan-2-one hydrate","","- C22 H28.66 N2 O2.33 -","- C26 H38 N2 O3 -","- C104 H152 N8 O12 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt","Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution","Synthesis","2001","2001","9","1395","1405","10.1055/s-2001-15231","","","","","","","3.05","","","3.05","","","","","","","","","","","has coordinates","178092","2020-10-21","18:00:00",""
"1100190","7.6183","0.0002","16.092","0.0006","16.4887","0.0006","90","","90","","90","","2021.41","","","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","ent-1,5,7-Trimethyl-7-(5',6',7',8'-tetrahydro-1'-oxa-3'-azacyclopenta(b)naphthalen-2'-yl)-3-azabicyclo(3.3.1)nonan-2-one hydrate","","- C22 H28.66 N2 O2.33 -","- C26 H38 N2 O3 -","- C104 H152 N8 O12 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt","Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution","Synthesis","2001","2001","9","1395","1405","10.1055/s-2001-15231","","","","","","","3.06","","","3.06","","","","","","","","","","","has coordinates","178092","2020-10-21","18:00:00",""
"1100191","14.4126","0.0008","17.328","0.002","18.359","0.001","90","","101.582","0.007","90","","4491.65","","","","193","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","octakis(t-Butyl)-hypho-hexagallane(6)","hexakis(μ~2~-Hydrido)-octakis(t-butyl)-hexa-gallium","","- C32 H78 Ga6 -","- C76 H192 Ga12 -","- C304 H768 Ga48 -","4","0.5","","Uhl, Werner; Cuypers, Lars; Geiseler, Gertraud; Harms, Klaus; Neumüller, Bernhard","Unexpected formation of gallium‒gallium single bonds by irradiation of the hydride [(Me~3~C)~2~GaH]~3~","Journal of the Chemical Society, Dalton Transactions","2001","","16","2398","2400","10.1039/b103409j","","","","","","","5.76","","","5.76","","","","","","","","","","","has coordinates","177463","2020-10-21","18:00:00",""
"1100192","10.966","0.001","13.868","0.001","14.306","0.001","79.09","0.01","74.83","0.01","74.74","0.01","2008.75","","","","193","","","","","","","","","6","P -1","-P 1","2","","trans-Carbonyl-chloro-bis(2,4,6-triphenylphosphabenzene)-rhodium dichloromethane solvate","","- C47.5 H35 Cl2 O P2 Rh -","- C48 H36 Cl3 O P2 Rh -","- C96 H72 Cl6 O2 P4 Rh2 -","2","1","","Breit, Bernhard; Winde, Roland; Mackewitz, Thomas; Paciello, Rocco; Harms, Klaus","Phosphabenzenes as Monodentate π-Acceptor Ligands for Rhodium-Catalyzed Hydroformylation","Chemistry - A European Journal","2001","7","14","","3121","10.1002/1521-3765(20010716)7:14<3106::aid-chem3106>3.0.co;2-y","","","","","","","7.16","","","7.16","","","","","","","","","","","has coordinates","177554","2020-10-21","18:00:00",""
"1100193","6.3611","0.0016","16.313","0.004","8.646","0.0015","90","","96.089","0.018","90","","892.122","","","","213","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,4'-Di-t-butylazobenzene","","- C20 H26 N2 -","- C52 H88 N4 -","- C104 H176 N8 -","2","0.5","","K.Harms; M.Marsch","","Private Communication","2000","","","","","","","","","","","","6.55","","","6.55","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100194","8.3847","0.0002","6.8914","0.0004","14.8257","0.0004","90","","98.28","0.003","90","","847.734","","","","223","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-(Adamantyl)-7-nitrofluorene","","- C23 H23 N O2 -","- C29 H37 N O2 -","- C58 H74 N2 O4 -","2","0.5","","K.Harms; M.Marsch","","Private Communication","2000","","","","","","","","","","","","5.82","","","5.82","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100195","20.449","0.002","12.7631","0.0012","16.5388","0.0015","90","","90","","90","","4316.5","","","","208","","","","","","","","","6","P c a 21","P 2c -2ac","29","","bis(tris(1,2-Dimethoxyethane-O,O')-lithium) bis(μ~2~-chloro)-(μ~2~-oxo)-dich loro-tetraoxo-di-molybdenum","","- C24 H60 Cl4 Li2 Mo2 O17 -","- C24 H60 Cl4 Li2 Mo2 O17 -","- C96 H240 Cl16 Li8 Mo8 O68 -","4","1","","K.Harms; M.Marsch","","Private Communication","2000","","","","","","","","","","","","6.76","","","6.76","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100196","30.5918","0.0013","30.5918","0.0013","7.7464","0.001","90","","90","","120","","6278.28","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","1-(2-Hydroxyprop-2-yl)pyrene","","- C19 H16 O -","- C19 H16 O -","- C342 H288 O18 -","18","1","","K.Harms; M.Marsch","","Private Communication","2000","","","","","","","","","","","","5.07","","","5.07","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100197","7.163","0.002","17.466","0.006","10.565","0.003","90","","93.9","0.03","90","","1318.71","","","","197","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bromo(trimethyl)stibinimino-trimethylstibine","","- C6 H18 Br N Sb2 -","- C6 H18 Br N Sb2 -","- C24 H72 Br4 N4 Sb8 -","4","1","","U.Muller; K.Dehnicke; R.Hillwig; K.Harms; J.Pebler; A.Pilz","","Private Communication","2000","","","","","","","","","","","","6.46","","","6.46","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100198","7.7726","0.0006","17.7023","0.0012","15.1696","0.0014","90","","93.518","0.01","90","","2083.3","","","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(1,2-Dimethoxyethane)-lithium dimethyl-copper(i)","","- C14 H36 Cu Li O6 -","- C14 H36 Cu Li O6 -","- C56 H144 Cu4 Li4 O24 -","4","1","","John, Michael; Auel, Carsten; Behrens, Christoph; Marsch, Michael; Harms, Klaus; Bosold, Ferdinand; Gschwind, Ruth M.; Rajamohanan, Pattuparambil R.; Boche, Gernot","The Relation between Ion Pair Structures and Reactivities of Lithium Cuprates","Chemistry - A European Journal","2000","6","16","3060","3068","10.1002/1521-3765(20000818)6:16<3060::AID-CHEM3060>3.0.CO;2-M","","","","","","","4.05","","","4.05","","","","","","","","","","","has coordinates","187723","2020-10-21","18:00:00",""
"1100199","10.2161","0.001","19.2676","0.001","15.792","0.002","90","","90.858","0.007","90","","3108.14","","","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tris(1,2-Dimethoxyethane)-lithium bis(trimethylsilylmethyl)-copper(i)","","- C20 H52 Cu Li O6 Si2 -","- C20 H52 Cu Li O6 Si2 -","- C80 H208 Cu4 Li4 O24 Si8 -","4","1","","John, Michael; Auel, Carsten; Behrens, Christoph; Marsch, Michael; Harms, Klaus; Bosold, Ferdinand; Gschwind, Ruth M.; Rajamohanan, Pattuparambil R.; Boche, Gernot","The Relation between Ion Pair Structures and Reactivities of Lithium Cuprates","Chemistry - A European Journal","2000","6","16","3060","3068","10.1002/1521-3765(20000818)6:16<3060::AID-CHEM3060>3.0.CO;2-M","","","","","","","6.65","","","6.65","","","","","","","","","","","has coordinates","187723","2020-10-21","18:00:00",""
"1100200","10.8446","0.0007","10.9136","0.0009","18.9558","0.0012","87.682","0.009","81.637","0.008","82.658","0.009","2200.89","","","","193","","","","","","","","","6","P -1","-P 1","2","","tetrakis(μ~2~-trimethylsilylmethylene)-tris(diethyl ether)-di-copper-di-lithium","","- C28 H74 Cu2 Li2 O3 Si4 -","- C28 H74 Cu2 Li2 O3 Si4 -","- C56 H148 Cu4 Li4 O6 Si8 -","2","1","","John, Michael; Auel, Carsten; Behrens, Christoph; Marsch, Michael; Harms, Klaus; Bosold, Ferdinand; Gschwind, Ruth M.; Rajamohanan, Pattuparambil R.; Boche, Gernot","The Relation between Ion Pair Structures and Reactivities of Lithium Cuprates","Chemistry - A European Journal","2000","6","16","3060","3068","10.1002/1521-3765(20000818)6:16<3060::aid-chem3060>3.0.co;2-m","","","","","","","5.68","","","5.68","","","","","","","","","","","has coordinates","177557","2020-10-21","18:00:00",""
"1100201","9.018","0.0006","9.6771","0.0008","9.974","0.0007","71.564","0.005","62.985","0.005","62.938","0.005","683.92","","","","213","","","","","","","","","5","P 1","P 1","1","","(R,R)-p-Chlorophenyl-1-chloro-2-phenylethyl sulfoxide","","- C14 H12 Cl2 O S -","- C14 H12 Cl2 O S -","- C28 H24 Cl4 O2 S2 -","2","2","","Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus","Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents","Chemistry - A European Journal","2000","6","18","3359","3365","10.1002/1521-3765(20000915)6:18<3359::AID-CHEM3359>3.0.CO;2-U","","","","","","","4.37","","","4.37","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100202","9.1121","0.0008","9.7596","0.0007","9.9764","0.0011","84.681","0.008","62.893","0.006","63.397","0.006","699.198","","","","213","","","","","","","","","6","P 1","P 1","1","","(-)-(R,R)-p-Chlorophenyl-1-bromo-2-phenylethyl sulfoxide","","- C14 H12 Br Cl O S -","- C14 H12 Br Cl O S -","- C28 H24 Br2 Cl2 O2 S2 -","2","2","","Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus","Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents","Chemistry - A European Journal","2000","6","18","3359","3365","10.1002/1521-3765(20000915)6:18<3359::AID-CHEM3359>3.0.CO;2-U","","","","","","","5.23","","","5.23","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100203","6.866","0.001","9.388","0.001","11.243","0.001","90","","103.31","0.01","90","","705.235","","","","202.15","","","","","","","","","5","P 21/n","","14","","Aminotrimethylphosphonium chloride","","- C3 H11 Cl N P -","","","4","","","Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K.","Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^","Zeitschrift für Anorganische und Allgemeine Chemie","2000","626","3","775","783","10.1002/(sici)1521-3749(200003)626:3<775::aid-zaac775>3.0.co;2-h","","","","","","","2.39","","","2.39","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1100204","12.736","0.004","11.488","0.003","13.02","0.003","90","","90","","90","","1904.97","","","","223","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Aminotriethylphosphonium chloride","","- C6 H17 Cl N P -","- C6 H17 Cl N P -","- C48 H136 Cl8 N8 P8 -","8","1","","Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K.","Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^","Zeitschrift für Anorganische und Allgemeine Chemie","2000","626","3","775","783","10.1002/(sici)1521-3749(200003)626:3<775::aid-zaac775>3.0.co;2-h","","","","","","","4.19","","","4.19","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100205","17.7708","0.0011","11.7355","0.0004","16.1137","0.001","90","","115.389","0.006","90","","3035.94","","","","190.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Trimethylsilylaminotrimethylphosphonium trifluoromethanesulfonate","","- C7 H19 F3 N O3 P S Si -","- C7 H19 F3 N O3 P S Si -","- C56 H152 F24 N8 O24 P8 S8 Si8 -","8","2","","Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K.","Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^","Zeitschrift für Anorganische und Allgemeine Chemie","2000","626","3","775","783","10.1002/(sici)1521-3749(200003)626:3<775::aid-zaac775>3.0.co;2-h","","","","","","","3.32","","","3.32","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100206","8.093","0.001","17.036","0.001","18.001","0.002","90","","96.34","0.01","90","","2466.66","","","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(Aminotriethylphosphonium) decahydro-closo-decaborate","","- C12 H44 B10 N2 P2 -","- C12 H44 B10 N2 P2 -","- C48 H176 B40 N8 P8 -","4","1","","Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K.","Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^","Zeitschrift für Anorganische und Allgemeine Chemie","2000","626","3","775","783","10.1002/(sici)1521-3749(200003)626:3<775::aid-zaac775>3.0.co;2-h","","","","","","","5.33","","","5.33","","","","","","","","","","","has coordinates","177560","2020-10-21","18:00:00",""
"1100207","8.253","0.003","10.864","0.003","12.412","0.004","114.12","0.02","104.5","0.02","93.21","0.02","967.441","","","","213","","","","","","","","","6","P -1","-P 1","2","","Aminotriphenylphosphonium dichloroiodide","","- C18 H17 Cl2 I N P -","- C18 H17 Cl2 I N P -","- C36 H34 Cl4 I2 N2 P2 -","2","1","","Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K.","Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^","Zeitschrift für Anorganische und Allgemeine Chemie","2000","626","3","775","783","10.1002/(sici)1521-3749(200003)626:3<775::aid-zaac775>3.0.co;2-h","","","","","","","6.44","","","6.44","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100208","7.121","0.001","12.333","0.002","12.571","0.002","90","","90","","90","","1104.03","","","","223","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aminotriethylphosphonium iodide","","- C6 H17 I N P -","- C6 H17 I N P -","- C24 H68 I4 N4 P4 -","4","1","","Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K.","Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^","Zeitschrift für Anorganische und Allgemeine Chemie","2000","626","3","775","783","10.1002/(sici)1521-3749(200003)626:3<775::aid-zaac775>3.0.co;2-h","","","","","","","5.76","","","5.76","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100209","13.602","0.001","8.742","0.001","14.621","0.001","90","","115.19","0.01","90","","1573.23","","","","203","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Trimethylsilylaminotriethylphosphonium iodide","","- C9 H25 I N P Si -","- C9 H25 I N P Si -","- C36 H100 I4 N4 P4 Si4 -","4","1","","Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K.","Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^","Zeitschrift für Anorganische und Allgemeine Chemie","2000","626","3","775","783","10.1002/(sici)1521-3749(200003)626:3<775::aid-zaac775>3.0.co;2-h","","","","","","","6.6","","","6.6","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100210","19.254","0.009","12.6907","0.0009","15.073","0.004","90","","111.79","0.03","90","","3419.89","","","","213","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(Trimethylsilyl)aminotrimethylphosphonium iodide","","- C9 H27 I N P Si2 -","- C9 H27 I N P Si2 -","- C72 H216 I8 N8 P8 Si16 -","8","2","","Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K.","Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^","Zeitschrift für Anorganische und Allgemeine Chemie","2000","626","3","775","783","10.1002/(sici)1521-3749(200003)626:3<775::aid-zaac775>3.0.co;2-h","","","","","","","5.81","","","5.81","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100211","25.54","0.002","13.223","0.001","11.653","0.002","90","","90","","90","","3935.4","","","","223","","","","","","","","","6","P b c n","-P 2n 2ab","60","","bis(Trimethylsilyl)aminotriethylphosphonium iodide","","- C12 H33 I N P Si2 -","- C15 H42 I N P Si2 -","- C120 H336 I8 N8 P8 Si16 -","8","1","","Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K.","Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^","Zeitschrift für Anorganische und Allgemeine Chemie","2000","626","3","775","783","10.1002/(sici)1521-3749(200003)626:3<775::aid-zaac775>3.0.co;2-h","","","","","","","3.7","","","3.7","","","","","","","","","","","has coordinates","177560","2020-10-21","18:00:00",""
"1100212","9.477","0.001","10.476","0.001","16.016","0.004","90","","105.96","0.01","90","","1528.79","","","","223","","","","","","","","","6","P 1 21 1","P 2yb","4","","bis(Trimethylsilyl)aminotriphenylphosphonium triiodide","","- C24 H33 I3 N P Si2 -","- C24 H33 I3 N P Si2 -","- C48 H66 I6 N2 P2 Si4 -","2","1","","Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K.","Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^","Zeitschrift für Anorganische und Allgemeine Chemie","2000","626","3","775","783","10.1002/(sici)1521-3749(200003)626:3<775::aid-zaac775>3.0.co;2-h","","","","","","","3.34","","","3.34","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100213","19.0073","0.0005","21.8155","0.0004","37.5145","0.0007","90","","90","","90","","15555.5","","","","193","","","","","","","","","3","P n n m","-P 2 2n","58","","nonakis(t-Butyl-gallium(i)) toluene solvate","","- C38.31 H83.64 Ga9 -","- C58 H118 Ga11 -","- C696 H1416 Ga132 -","12","1.5","","Uhl, Werner; Cuypers, Lars; Harms, Klaus; Kaim, Wolfgang; Wanner, Matthias; Winter, Rainer; Koch, Rainer; Saak, Wolfgang","Ga~9~(CMe~3~)~9~, an Important New Building Block in the Structural Chemistry of the Alkylelement(I) Compounds EnRn (E=B-In)","Zeitschrift für Anorganische und Allgemeine Chemie","2001","40","3","566","568","10.1002/1521-3773(20010202)40:3<566::aid-anie566>3.0.co;2-t","","","","","","","4.54","","","4.54","","","","","","","","","","","has coordinates","177561","2020-10-21","18:00:00",""
"1100214","6.434","0.001","7.4927","0.0013","24.108","0.004","96.28","0.02","90.192","0.019","98.24","0.019","1143.08","","","","193","","","","","","","","","4","P -1","-P 1","2","","(3RS,4SR,6SR,7SR)-1-Aza-9-oxa-4-phenyltricyclo(5.3.0.0^3,6^)decan-10-one","","- C14 H15 N O2 -","- C16 H19 N1.5 O2 -","- C64 H76 N6 O8 -","4","2","","Bach, Thorsten; Krüger, Christa; Harms, Klaus","The Stereoselective Synthesis of 2-Substituted 3-Azabicyclo[3.2.0]heptanes by Intramolecular [2+2]-Photocycloaddition Reactions","Synthesis","2000","2000","2","305","320","10.1055/s-2000-6261","","","","","","","4.52","","","4.52","","","","","","","","","","","has coordinates","176882","2020-10-21","18:00:00",""
"1100215","10.008","0.0008","11.1636","0.0006","18.0294","0.0015","90","","106.091","0.009","90","","1935.42","","","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis((μ~3~-Cyano)-bis(diethylether)-(trimethylsilyl)methyl-copper(i)-lithium)","","- C26 H62 Cu2 Li2 N2 O4 Si2 -","- C52 H124 Cu4 Li4 N4 O8 Si4 -","- C104 H248 Cu8 Li8 N8 O16 Si8 -","2","0.5","","Bosold, F.; Marsch, M.; Harms, K.; Boche, G.","Crystal structure of bis[bis(diethylether)lithium (trimethylsilyl)methyl-cyanocuprate], [(C~4~H~10~O)~2~Li(C~3~H~9~)SiCH~2~CuCN]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1-4","143","144","10.1524/ncrs.2001.216.14.143","","","","","","","3.13","","","3.13","","","","","","","","","","","has coordinates","177961","2020-10-21","18:00:00",""
"1100216","15.6666","0.0015","14.7993","0.001","19.6063","0.0018","90","","105.908","0.009","90","","4371.72","","","","193","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","tetrakis(μ~3~-Trimethylphosphoraneiminato)-tris(trifluoromethanesulfonato-O,O')-(trifluoromethanesulfonato-O)-tetra-nickel(II)","","- C16 H36 F12 N4 Ni4 O12 P4 S4 -","- C16 H36 F15 N4 Ni4 O14 P4 S4 -","- C64 H144 F60 N16 Ni16 O56 P16 S16 -","4","1","","Krieger, Matthias; Gould, Robert O.; Harms, Klaus; Greiner, Andreas; Dehnicke, Kurt","Phosphaniminato- und Phosphanimin-Komplexe von Nickel(II). Die Kristallstrukturen von [Ni(O~3~SCF~3~)(NPMe~3~)]~4~, [Ni~4~Br~5~{NP(NMe~2~)~3~}~3~], [NiBr~2~{HNP(NMe~2~)~3~}~2~] und [Ni(PMePh~2~)~4~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","4","747","754","10.1002/1521-3749(200104)627:4<747::AID-ZAAC747>3.0.CO;2-H","","","","","","","4.43","","","4.43","","","","","","","","","","","has coordinates","176965","2020-10-21","18:00:00",""
"1100217","18.407","0.001","8.101","0.001","16.072","0.002","90","","94.74","0.01","90","","2388.38","","","","203","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dibromo-bis(tris(dimethylamino)phosphaneimine)-nickel(ii)","","- C12 H38 Br2 N8 Ni P2 -","- C24 H76 Br4 N16 Ni P4 -","- C96 H304 Br16 N64 Ni4 P16 -","4","0.5","","Krieger, Matthias; Gould, Robert O.; Harms, Klaus; Greiner, Andreas; Dehnicke, Kurt","Phosphaniminato- und Phosphanimin-Komplexe von Nickel(II). Die Kristallstrukturen von [Ni(O~3~SCF~3~)(NPMe~3~)]~4~, [Ni~4~Br~5~{NP(NMe~2~)~3~}~3~], [NiBr~2~{HNP(NMe~2~)~3~}~2~] und [Ni(PMePh~2~)~4~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","4","747","754","10.1002/1521-3749(200104)627:4<747::AID-ZAAC747>3.0.CO;2-H","","","","","","","3.4","","","3.4","","","","","","","","","","","has coordinates","176965","2020-10-21","18:00:00",""
"1100218","10.531","0.002","13.15","0.003","16.745","0.003","81.547","0.013","79.148","0.016","84.912","0.018","2248.24","","","","223","","","","","","","","","4","P -1","-P 1","2","","tetrakis(Diphenyl(methyl)phosphine)-nickel(0)","","- C52 H52 Ni P4 -","- C52 H52 Ni P4 -","- C104 H104 Ni2 P8 -","2","1","","Krieger, Matthias; Gould, Robert O.; Harms, Klaus; Greiner, Andreas; Dehnicke, Kurt","Phosphaniminato- und Phosphanimin-Komplexe von Nickel(II). Die Kristallstrukturen von [Ni(O~3~SCF~3~)(NPMe~3~)]~4~, [Ni~4~Br~5~{NP(NMe~2~)~3~}~3~], [NiBr~2~{HNP(NMe~2~)~3~}~2~] und [Ni(PMePh~2~)~4~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","4","747","754","10.1002/1521-3749(200104)627:4<747::AID-ZAAC747>3.0.CO;2-H","","","","","","","4.97","","","4.97","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100219","12.26","0.003","16.14","0.003","24.06","0.005","90","","92.34","0.03","90","","4756.94","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(μ~3~-Bromo)-tris(μ~3~-tris(dimethylamino)phosphoraneiminato)-tetrabromo-tetra-nickel(ii) dichloromethane solvate","","- C18.75 H55.5 Br5 Cl1.5 N12 Ni4 P3 -","- C18 H54 Br5 N12 Ni4 P3 -","- C72 H216 Br20 N48 Ni16 P12 -","4","1","","Krieger, Matthias; Gould, Robert O.; Harms, Klaus; Greiner, Andreas; Dehnicke, Kurt","Phosphaniminato- und Phosphanimin-Komplexe von Nickel(II). Die Kristallstrukturen von [Ni(O~3~SCF~3~)(NPMe~3~)]~4~, [Ni~4~Br~5~{NP(NMe~2~)~3~}~3~], [NiBr~2~{HNP(NMe~2~)~3~}~2~] und [Ni(PMePh~2~)~4~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","4","747","754","10.1002/1521-3749(200104)627:4<747::AID-ZAAC747>3.0.CO;2-H","","","","","","","7.03","","","7.03","","","","","","","","","","","has coordinates","176965","2020-10-21","18:00:00",""
"1100220","11.0478","0.0012","28.024","0.003","7.2693","0.0007","90","","90","","90","","2250.6","","","","193","","","","","","","","","5","I b a 2","I 2 -2c","45","","(4RS,5SR,1'RS)-4-(1-Chloro-1-phenylmethyl)-5-methyl-1,3-oxazolidin-2-one","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C88 H96 Cl8 N8 O16 -","8","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","3.22","","","3.22","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100221","5.3339","0.0008","12.4601","0.0017","11.8203","0.0017","90","","93.864","0.017","90","","783.802","","","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1RS,2SR,6RS)-9-Aza-2-chloro-7-oxabicyclo(4.3.0)nonan-8-one","","- C7 H10 Cl N O2 -","- C7 H10 Cl N O2 -","- C28 H40 Cl4 N4 O8 -","4","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","3.45","","","3.45","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100222","9.9246","0.0005","6.8908","0.0003","14.1918","0.001","90","","95.692","0.004","90","","965.77","","","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1RS,2RS,8SR)-2-Chloro-9-oxa-11-azabicyclo(6.3.0)undec-5-en-10-one","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","5.99","","","5.99","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100223","11.9678","0.0013","6.2949","0.0003","13.7472","0.0016","90","","113.363","0.007","90","","950.748","","","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1RS,2RS,3RS)-2-Chloro-9-oxa-11-azabicyclo(6.3.0)undec-5-en-10-one","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","6.17","","","6.17","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100224","5.6138","0.001","7.0575","0.001","15.9015","0.001","96.654","0.01","95.454","0.01","109.173","0.01","585.075","","","","213","","","","","","","","","4","P -1","-P 1","2","","4-(4-n-Butyltetrahydro-3-furyl)-1,3-oxazolidin-2-one","","- C11 H19 N O3 -","- C15 H31 N O3 -","- C30 H62 N2 O6 -","2","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","6.88","","","6.88","","","","","","","","","","","has coordinates","177553","2020-10-21","18:00:00",""
"1100225","6.9144","0.0006","9.352","0.003","19.9486","0.0011","90","","99.398","0.009","90","","1272.63","","","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-4-(1-Chloro-1-phenylmethylidene)-5-propyl-1,3-oxazolidin-2-one","","- C13 H14 Cl N O2 -","- C13 H14 Cl N O2 -","- C52 H56 Cl4 N4 O8 -","4","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","5.93","","","5.93","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100226","9.3539","0.0008","9.4338","0.0006","10.2406","0.0005","91.805","0.006","104.889","0.007","109.986","0.006","813.611","","","","213","","","","","","","","","4","P -1","-P 1","2","","(Z)-5-Cyclohexyl-4-(1-(2,2-dimethylpropylidene))-5-ethoxy-1,3-oxazolidin-2-one","","- C16 H27 N O3 -","- C16 H27 N O3 -","- C32 H54 N2 O6 -","2","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","5.71","","","5.71","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100227","11.818","0.0015","9.9465","0.001","16.082","0.0019","90","","110.375","0.009","90","","1772.13","","","","203","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1RS,5SR,7SR)-3-Aza-2-oxo-1,5,7-trimethylbicyclo[3.3.1]-7-nonanoic acid 3-form ylphenyl ester","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Brummerhop, Harm; Lewis, Warren; Harms, Klaus","The [2+2]-Photocycloaddition of Aromatic Aldehydes and Ketones to 3,4-Dihydro-2-pyridones: Regioselectivity, Diastereoselectivity, and Reductive Ring Opening of the Product Oxetanes","Chemistry - A European Journal","2001","7","20","4512","4521","10.1002/1521-3765(20011015)7:20<4512::aid-chem4512>3.0.co;2-h","","","","","","","5.76","","","5.76","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100228","13.857","0.002","7.9815","0.0008","15.117","0.002","90","","113.252","0.015","90","","1536.14","","","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1RS,5RS,6SR)-4-methyl-8,8-diphenyl-7-oxa-2-azabicyclo[4.2.0]octan-3-one","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Brummerhop, Harm; Lewis, Warren; Harms, Klaus","The [2+2]-Photocycloaddition of Aromatic Aldehydes and Ketones to 3,4-Dihydro-2-pyridones: Regioselectivity, Diastereoselectivity, and Reductive Ring Opening of the Product Oxetanes","Chemistry - A European Journal","2001","7","20","4512","4521","10.1002/1521-3765(20011015)7:20<4512::aid-chem4512>3.0.co;2-h","","","","","","","3.64","","","3.64","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100229","7.699","0.0011","13.7214","0.0019","18.8308","0.0014","89.963","0.016","80.265","0.016","76.44","0.017","1904.43","","","","193","","","","","","","","","5","P -1","-P 1","2","","(1RS,6SR)-8,8-diphenyl-7-oxa-2-azabicyclo[4.2.0]octan-3-one chloroform solvate","","- C19 H18 Cl3 N O2 -","- C19 H18 Cl3 N O2 -","- C76 H72 Cl12 N4 O8 -","4","2","","Bach, Thorsten; Bergmann, Hermann; Brummerhop, Harm; Lewis, Warren; Harms, Klaus","The [2+2]-Photocycloaddition of Aromatic Aldehydes and Ketones to 3,4-Dihydro-2-pyridones: Regioselectivity, Diastereoselectivity, and Reductive Ring Opening of the Product Oxetanes","Chemistry - A European Journal","2001","7","20","4512","4521","10.1002/1521-3765(20011015)7:20<4512::aid-chem4512>3.0.co;2-h","","","","","","","5.79","","","5.79","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100230","15.929","0.002","9.438","0.001","14.13","0.002","90","","90","","90","","2124.27","","","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","Dibromo-tetrapyridine-nickel(ii)","","- C20 H20 Br2 N4 Ni -","- C20 H20 Br2 N4 Ni -","- C80 H80 Br8 N16 Ni4 -","4","1","","Gröb, Thorsten; Neumüller, Bernhard; Harms, Klaus; Schmock, Fritjof; Greiner, Andreas; Dehnicke, Kurt","Die Kristallstrukturen vontrans-[NiBr~2~(Pyridin)~4~] und [Ni(HNPEt~3~)~4~]I~2~","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","8","1928","1931","10.1002/1521-3749(200108)627:8<1928::AID-ZAAC1928>3.0.CO;2-V","","","","","","","4.92","","","4.92","","","","","","","","","","","has coordinates","176963","2020-10-21","18:00:00",""
"1100231","9.1269","0.0005","24.8574","0.001","13.5416","0.0008","90","","102.491","0.005","90","","2999.48","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","bis(μ~2~-Iodo)-tris(tris(trimethylsilyl)methyl)-tri-indium toluene solvate","","- C37 H89 I2 In3 Si9 -","- C37 H89 I2 In3 Si12 -","- C74 H178 I4 In6 Si24 -","2","1","","Uhl, Werner; Melle, Sandra; Geiseler, Gertraud; Harms, Klaus","In~3~I~2~[C(SiMe~3~)~3~]~3~: Synthesis of a Diiodotrialkyltriindane(5) Containing Two In‒In Single Bonds","Organometallics","2001","20","15","3355","3357","10.1021/om0102302","","","","","","","2.38","","","2.38","","","","","","","","","","","has coordinates","177960","2020-10-21","18:00:00",""
"1100232","18.11","0.002","7.229","0.001","17.624","0.002","90","","118.15","0.01","90","","2034.37","","","","198","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(N,N,N',N'-Tetramethylethylenediamine-N,N')-bis(pentafluorophenyl)-cadmium","","- C18 H16 Cd F10 N2 -","- C36 H32 Cd F20 N4 -","- C144 H128 Cd4 F80 N16 -","4","0.5","","Harms, K.; Boche, G.; Marsch, M.","","Private Communication","2001","","","","","","","","","","","","2.52","","","2.52","","","","","","","","","","","has coordinates","177962","2020-10-21","18:00:00",""
"1100233","8.449","0.001","9.895","0.0007","17.837","0.002","90","","101.507","0.006","90","","1461.25","","","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2,3,3a,4,5,11a-Hexahydrobenzo(f)furo(3,2-c)quinolin-4-yl)-1-propanol","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Harms, K.; Boche, G.; Marsch, M.","","Private Communication","2001","","","","","","","","","","","","3.83","","","3.83","","","","","","","","","","","has coordinates","177962","2020-10-21","18:00:00",""
"1100234","29.6297","0.0013","8.8309","0.0006","12.8246","0.0008","90","","91.36","0.005","90","","3354.7","","","","213","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl 3-phenyl-2-(N-methyl-N-t-butoxycarbonyl)aminopropanoate","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C128 H184 N8 O32 -","8","1","","Harms, K.; Boche, G.; Marsch, M.","","Private Communication","2001","","","","","","","","","","","","4.73","","","4.73","","","","","","","","","","","has coordinates","177962","2020-10-21","18:00:00",""
"1100235","10.608","0.0005","18.5975","0.0008","6.4587","0.0008","90","","90","","90","","1274.19","","","","213","","","","","","","","","3","P n a 21","P 2c -2n","33","","meso-2,2'-dimethylbicyclohexyl-4,4'-dione","","- C14 H22 O2 -","- C14 H22 O2 -","- C56 H88 O8 -","4","1","","Hoffmann, Reinhard W.; Brandl, Trixi; Kirsch, Peer; Harms, Klaus","Synthesis of a Mesogenic Compound with a Defined Conformation","Synlett","2001","2001","SI","960","963","10.1055/s-2001-14633","","","","","","","6.03","","","6.03","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100236","10.1124","0.0017","10.7593","0.0018","10.894","0.0017","114.874","0.016","99.97","0.009","98.896","0.012","1024.21","","","","223","","","","","","","","","5","P -1","-P 1","2","","bis(μ~2~-2,2,2-Trifluoro-1,1-diphenylethoxo)-tetrakis(tetrahydrofuran-O)-di-lithium","","- C44 H52 F6 Li2 O6 -","- C94 H120 F12 Li4 O12 -","- C94 H120 F12 Li4 O12 -","1","0.5","","Boche, G.; Adler, M.; Adler, S.; Marsch, M.; Harms, K.","","Private Communication","2001","","","","","","","","","","","","6.1","","","6.1","","","","","","","","","","","has coordinates","177962","2020-10-21","18:00:00",""
"1100237","8.249","0.004","11.771","0.009","12.354","0.008","92.23","0.08","98.82","0.07","90.19","0.08","1184.43","","","","293","","","","","","","","","4","P -1","-P 1","2","","2,2,2-Trifluoro-1,1-diphenylethanol","","- C14 H11 F3 O -","- C14 H11 F3 O -","- C56 H44 F12 O4 -","4","2","","Boche, G.; Adler, M.; Adler, S.; Marsch, M.; Harms, K.","","Private Communication","2001","","","","","","","","","","","","8.89","","","8.89","","","","","","","","","","","has coordinates","177962","2020-10-21","18:00:00",""
"1100238","16.254","0.0006","14.669","0.0006","11.657","0.0005","90","","90","","90","","2779.38","","","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(μ~2~-Dimethylamido-N,N)-(μ~2~-1-naphthoxo)-bis(1,2-bis(dimethylamino)ethane-N,N')-di-lithium","","- C24 H45 Li2 N5 O -","- C36 H83 Li4 N9 O -","- C144 H332 Li16 N36 O4 -","4","0.5","","Boche, G.; Marsch, M.; Harms, K.","","Private Communication","2001","","","","","","","","","","","","8.15","","","8.15","","","","","","","","","","","has coordinates","177962","2020-10-21","18:00:00",""
"1100239","15.2552","0.0016","19.0288","0.0019","21.783","0.002","95.435","0.012","91.145","0.012","90.448","0.012","6293.36","","","","193","","","","","","","","","5","P -1","-P 1","2","","hexakis((μ~4~-Triphenylphosphoraneiminato)-rubidium)","","- C139.5 H126 N6 P6 Rb6 -","- C251 H226 N12 P12 Rb12 -","- C502 H452 N24 P24 Rb24 -","2","1","","T.Grob; K.Harms; K.Dehnicke","","Z.Anorg.Allg.Chem.","2000","626","","1065","","10.1002/(SICI)1521-3749(200005)626:5<1065::AID-ZAAC1065>3.0.CO;2-T","","","","","","","5.29","","","5.29","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100240","26.7973","0.0014","26.7973","0.0014","26.7973","0.0014","90","","90","","90","","19243","","","","123","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","tetrakis(μ~3~-Triphenylphosphoraneiminato)-tetra-cesium toluene hexane solvat e","","- C108.5 H128.5 Cs4 N4 P4 -","- C922 H768 Cs16 N16 P16 -","- C7376 H6144 Cs128 N128 P128 -","8","0.0833333","","T.Grob; K.Harms; K.Dehnicke","","Z.Anorg.Allg.Chem.","2000","626","","1065","","10.1002/(SICI)1521-3749(200005)626:5<1065::AID-ZAAC1065>3.0.CO;2-T","","","","","","","4.05","","","4.05","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100241","14.1888","0.0008","22.5891","0.001","24.9759","0.0011","90","","91.055","0.006","90","","8003.72","","","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrakis(μ~3~-Triphenylphosphoraneiminato)-tetra-cesium toluene solvate","","- C86 H76 Cs4 N4 P4 -","- C86 H76 Cs4 N4 P4 -","- C344 H304 Cs16 N16 P16 -","4","1","","T.Grob; K.Harms; K.Dehnicke","","Z.Anorg.Allg.Chem.","2000","626","","1065","","10.1002/(SICI)1521-3749(200005)626:5<1065::AID-ZAAC1065>3.0.CO;2-T","","","","","","","2.78","","","2.78","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100242","9.56","0.005","18.546","0.007","9.671","0.003","90","","119","0.03","90","","1499.68","","","","213","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Phenyl-2-benzylthiobutanamide","","- C17 H19 N S -","- C17.5 H22 N S -","- C70 H88 N4 S4 -","4","2","","Hoffmann, Reinhard W.; Hölzer, Bettina; Knopff, Oliver; Harms, Klaus","Asymmetric Synthesis of a Chiral Secondary Grignard Reagent","Angewandte Chemie, International Edition","2000","39","17","3072","3074","10.1002/1521-3773(20000901)39:17<3072::AID-ANIE3072>3.0.CO;2-4","","","","","","","5.82","","","5.82","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100243","13.318","0.0004","6.836","0.0002","17.3181","0.0011","90","","96.045","0.005","90","","1567.91","","","","213","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2SR,3SR)-N-t-Butoxycarbonyl-2-benzyl-3-pyrrolidinol","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Bach, Thorsten; Brummerhop, Harm; Harms, Klaus","The Synthesis of (+)-Preussin and Related Pyrrolidinols by Diastereoselective Paternò-Büchi Reactions of Chiral 2-Substituted 2,3-Dihydropyrroles","Chemistry - A European Journal","2000","6","20","3838","3848","10.1002/1521-3765(20001016)6:20<3838::aid-chem3838>3.0.co;2-1","","","","","","","3.97","","","3.97","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100244","11.657","0.002","5.3217","0.0011","13.483","0.003","90","","107.81","0.02","90","","796.334","","","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S,5R)-N-Methyl-2,5-dibenzyl-3-pyrrolidinol","","- C19 H23 N O -","- C19 H23 N O -","- C38 H46 N2 O2 -","2","1","","Bach, Thorsten; Brummerhop, Harm; Harms, Klaus","The Synthesis of (+)-Preussin and Related Pyrrolidinols by Diastereoselective Paternò-Büchi Reactions of Chiral 2-Substituted 2,3-Dihydropyrroles","Chemistry - A European Journal","2000","6","20","3838","3848","10.1002/1521-3765(20001016)6:20<3838::aid-chem3838>3.0.co;2-1","","","","","","","6.44","","","6.44","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100245","13.514","0.002","12.213","0.003","12.644","0.001","90","","101.74","0.02","90","","2043.19","","","","213","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Benzylmethyl-4-(2,2-dimethylpropylidene)-5-(1-cyclopropylethoxy)-oxazolidin-2-one","","- C21 H29 N O3 -","- C26 H38 N O3 -","- C104 H152 N4 O12 -","4","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-Catalyzed Addition Reactions of Propargyloxycarbonyl Azides","Synlett","2000","2000","9","1330","1332","10.1055/s-2000-7129","","","","","","","7.71","","","7.71","","","","","","","","","","","has coordinates","176887","2020-10-21","18:00:00",""
"1100246","11.738","0.009","12.401","0.008","12.538","0.008","115.51","0.03","95.46","0.04","115.22","0.03","1400.66","","","","173","","","","","","","","","6","P -1","-P 1","2","","bis(μ~2~-bis((4-Methoxyphenyl)vinyl)(phenyl)sulfonyl-O,O')-bis(N,N,N',N'-tetr amethylethylenediamine-N,N')-di-lithium","","- C56 H72 Li2 N4 O8 S2 -","- C112 H140 Li4 N8 O16 S4 -","- C112 H140 Li4 N8 O16 S4 -","1","0.5","","K.Harms; M.Marsch; G.Boche","","Private Communication","2001","","","","","","","","","","","","3.88","","","3.88","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100247","6.9896","0.0006","10.791","0.0009","10.8567","0.0009","112.96","0.009","102.224","0.01","99.372","0.01","708.959","","","","193","","","","","","","","","3","P -1","-P 1","2","","3,5,6,8-Tetramethyldeca-1,9-diene-4,7-diol","","- C14 H26 O2 -","- C28 H52 O4 -","- C56 H104 O8 -","2","1","","K.Harms","","Private Communication","2001","","","","","","","","","","","","4.02","","","4.02","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100248","7.8808","0.0015","15.3984","0.0009","11.8722","0.0015","90","","108.801","0.009","90","","1363.84","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,8-Dihydroxy-2,4,5,7-tetramethyloctane-3,6-diyl bis(4-methoxybenzenecarboxyla te)","","- C28 H38 O8 -","- C56 H76 O16 -","- C112 H152 O32 -","2","0.5","","K.Harms","","Private Communication","2001","","","","","","","","","","","","6.76","","","6.76","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100249","7.2624","0.0004","8.541","0.0005","30.4681","0.0018","90","","90","","90","","1889.88","","","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-Neomenthyloxycarbonyl-7-azatricyclo(4.2.2.1^2,5^)undec-3,9-dien-8-one","","- C21 H29 N O3 -","- C21 H29 N O3 -","- C84 H116 N4 O12 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Harms, Klaus","Enantioselective Photochemical Reactions of 2-Pyridones in Solution","Organic Letters","2001","3","4","601","603","10.1021/ol007004t","","","","","","","3.44","","","3.44","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100250","10.0153","0.001","16.3832","0.0016","17.871","0.002","90","","90","","90","","2932.32","","","","193","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,2,2',2',2'',2'',2''',2''',5,5',5'',5'''-Dodecamethyl-4,4':6',4'':6'',4'''-qu ater-1,3-dioxane","","- C28 H50 O8 -","- C28 H50 O8 -","- C112 H200 O32 -","4","1","","K.Harms","","Private Communication","2002","","","","","","","","","","","","6.84","","","6.84","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100253","12.0935","0.0015","14.8079","0.0017","18.142","0.002","71.203","0.013","71.216","0.013","74.401","0.013","2861.91","","","","193","","","","","","","","","7","P -1","-P 1","2","","mer-Trichloro-(triphenylphosphineiminato)-bis(triphenylphosphineimine)-zirconi um tetrahydrofuran solvate","","- C58 H55 Cl3 N3 O P3 Zr -","- C54 H47 Cl3 N3 P3 Zr -","- C108 H94 Cl6 N6 P6 Zr2 -","2","1","","Gröb, Thorsten; Geiseler, Gertraud; Harms, Klaus; Greiner, Andreas; Dehnicke, Kurt","Phosphaniminato-Komplexe des Zirconiums: Die Kristallstrukturen von [ZrCl~3~(NPPh~3~)(HNPPh~3~)~2~] und [ZrCl~2~(NPPh~3~)~2~(HNPPh~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","1","217","221","10.1002/1521-3749(200201)628:1<217::AID-ZAAC217>3.0.CO;2-G","","","","","","","4.76","","","4.76","","","","","","","","","","","has coordinates","176962","2020-10-21","18:00:00",""
"1100254","14.4757","0.0015","19.257","0.002","24.57","0.002","67.317","0.012","87.376","0.012","87.103","0.013","6308.69","","","","193","","","","","","","","","6","P -1","-P 1","2","","trans-Dichloro-bis(triphenylphosphineiminato)-bis(triphenylphosphineimine)-zir conium","","- C72 H62 Cl2 N4 P4 Zr -","- C72 H62 Cl2 N4 P4 Zr -","- C288 H248 Cl8 N16 P16 Zr4 -","4","2","","Gröb, Thorsten; Geiseler, Gertraud; Harms, Klaus; Greiner, Andreas; Dehnicke, Kurt","Phosphaniminato-Komplexe des Zirconiums: Die Kristallstrukturen von [ZrCl~3~(NPPh~3~)(HNPPh~3~)~2~] und [ZrCl~2~(NPPh~3~)~2~(HNPPh~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","1","217","221","10.1002/1521-3749(200201)628:1<217::AID-ZAAC217>3.0.CO;2-G","","","","","","","4.08","","","4.08","","","","","","","","","","","has coordinates","176962","2020-10-21","18:00:00",""
"1100255","13.8983","0.001","14.0806","0.001","22.052","0.002","78.952","0.01","81.215","0.01","66.232","0.008","3862.57","","","","193","","","","","","","","","5","P -1","-P 1","2","","tetrakis(μ~3~-Tricyclohexylphosphoraneiminato)-tetra-potassium","","- C72 H132 K4 N4 P4 -","- C77 H143 K4 N4 P4 -","- C154 H286 K8 N8 P8 -","2","1","","Gröb, Thorsten; Chitsaz, Soheila; Harms, Klaus; Dehnicke, Kurt","Phosphaniminate von Alkalimetallen: Die Kristallstrukturen von [KNPCy~3~]~4~, [KNPCy~3~]~4~·2OPCy~3~, [CsNPCy~3~]~4~·4OPCy~3~ und [Li~4~(NPPh~3~)(OSiMe~2~NPPh~3~)~3~(DME)]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","2","473","479","10.1002/1521-3749(200202)628:2<473::AID-ZAAC473>3.0.CO;2-Z","","","","","","","4.18","","","4.18","","","","","","","","","","","has coordinates","176949","2020-10-21","18:00:00",""
"1100256","29.4359","0.0018","20.482","0.0011","18.9377","0.0008","90","","90","","90","","11417.7","","","","193","","","","","","","","","6","P b c n","-P 2n 2ab","60","","tetrakis(μ~3~-Tricyclohexylphosphoraneiminato)-bis(tricyclohexylphosphine oxi de)-tetra-potassium","","- C108 H198 K4 N4 O2 P6 -","- C232 H432 K8 N8 O4 P12 -","- C928 H1728 K32 N32 O16 P48 -","4","0.5","","Gröb, Thorsten; Chitsaz, Soheila; Harms, Klaus; Dehnicke, Kurt","Phosphaniminate von Alkalimetallen: Die Kristallstrukturen von [KNPCy~3~]~4~, [KNPCy~3~]~4~·2OPCy~3~, [CsNPCy~3~]~4~·4OPCy~3~ und [Li~4~(NPPh~3~)(OSiMe~2~NPPh~3~)~3~(DME)]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","2","473","479","10.1002/1521-3749(200202)628:2<473::AID-ZAAC473>3.0.CO;2-Z","","","","","","","4.28","","","4.28","","","","","","","","","","","has coordinates","176949","2020-10-21","18:00:00",""
"1100257","28.8161","0.0018","29.9021","0.0017","18.837","0.002","90","","90","","90","","16231.1","","","","193","","","","","","","","","6","C m c 21","C 2c -2","36","","tetrakis(μ~3~-Tricyclohexylphosphoraneiminato)-tetrakis(tricyclohexylphosphin e oxide)-tetra-cesium","","- C144 H264 Cs4 N4 O4 P8 -","- C282 Cs6 N6 O6 P12 -","- C1128 Cs24 N24 O24 P48 -","4","0.5","","Gröb, Thorsten; Chitsaz, Soheila; Harms, Klaus; Dehnicke, Kurt","Phosphaniminate von Alkalimetallen: Die Kristallstrukturen von [KNPCy~3~]~4~, [KNPCy~3~]~4~·2OPCy~3~, [CsNPCy~3~]~4~·4OPCy~3~ und [Li~4~(NPPh~3~)(OSiMe~2~NPPh~3~)~3~(DME)]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","2","473","479","10.1002/1521-3749(200202)628:2<473::AID-ZAAC473>3.0.CO;2-Z","","","","","","","5.86","","","5.86","","","","","","","","","","","has coordinates","176949","2020-10-21","18:00:00",""
"1100258","15.835","0.001","15.835","0.001","117.553","0.005","90","","90","","120","","25527","","","","193","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","(μ~3~-Triphenylphosphanimino)-tris(μ~3~-N-(triphenylphosphino)imino(dimethyl )siloxy)-(dimethoxyethane-O)-tetra-lithium dimethoxyethane solvate","","- C84 H93 Li4 N4 O6 P4 Si3 -","- C263 H234 Li10 N10 O17 P10 Si9 -","- C3156 H2808 Li120 N120 O204 P120 Si108 -","12","0.333333","","Gröb, Thorsten; Chitsaz, Soheila; Harms, Klaus; Dehnicke, Kurt","Phosphaniminate von Alkalimetallen: Die Kristallstrukturen von [KNPCy~3~]~4~, [KNPCy~3~]~4~·2OPCy~3~, [CsNPCy~3~]~4~·4OPCy~3~ und [Li~4~(NPPh~3~)(OSiMe~2~NPPh~3~)~3~(DME)]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","2","473","479","10.1002/1521-3749(200202)628:2<473::AID-ZAAC473>3.0.CO;2-Z","","","","","","","4.95","","","4.95","","","","","","","","","","","has coordinates","176949","2020-10-21","18:00:00",""
"1100259","10.8874","0.0007","11.2061","0.0009","14.4504","0.0012","90","","108.246","0.007","90","","1674.38","","","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R)-2-(5-Pyrimidinyl)-8-azoniabicyclo(3.2.1)oct-2-ene oxalate 2-propanol solvate","","- C16 H23 N3 O5 -","- C16.5 H23.5 N3 O5.5 -","- C66 H94 N12 O22 -","4","2","","Gündisch, Daniela; Harms, Klaus; Schwarz, Simone; Seitz, Gunther; Stubbs, Milton T.; Wegge, Thomas","Synthesis and evaluation of diazine containing bioisosteres of (‒)-ferruginine as ligands for nicotinic acetylcholine receptors","Bioorganic & Medicinal Chemistry","2001","9","10","2683","2691","10.1016/s0968-0896(01)00188-2","","","","","","","5.62","","","5.62","","","","","","","","","","","has coordinates","178074","2020-10-21","18:00:00",""
"1100260","15.3323","0.0004","15.3323","0.0004","25.4556","0.0014","90","","90","","120","","5182.37","","","","193","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","Iodo-tris(triphenylphosphineimine)-sodium tetrahydrofuran solvate","","- C56 H52 I N3 Na O0.5 P3 -","- C182 H180 I N9 Na O4.5 P9 -","- C728 H720 I4 N36 Na4 O18 P36 -","4","0.333333","","Gröb, Thorsten; Müller, Christoph; Massa, W.; Miekisch, Thomas; Seybert, Gert; Harms, Klaus; Dehnicke, Kurt","Die Kristallstrukturen der Phosphanimin-Komplexe [NaI(HNPPh~3~)~3~] und [SrI~2~(HNPPh~3~)~2~(THF)~2~] sowie des Natrium-triphenylphosphaniminats [NaNPPh~3~]~6~","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","9","2191","2197","10.1002/1521-3749(200109)627:9<2191::AID-ZAAC2191>3.0.CO;2-T","","","","","","","4.17","","","4.17","","","","","","","","","","","has coordinates","176966","2020-10-21","18:00:00",""
"1100261","14.5708","0.001","14.8493","0.0014","15.0272","0.001","116.32","0.01","115.358","0.01","93.585","0.014","2502.37","","","","213","","","","","","","","","5","P -1","-P 1","2","","hexakis((μ~3~-Triphenylphosphineiminato)-sodium) toluene solvate","","- C115 H98 N6 Na6 P6 -","- C234 H220 N12 Na12 P12 -","- C234 H220 N12 Na12 P12 -","1","0.5","","Gröb, Thorsten; Müller, Christoph; Massa, W.; Miekisch, Thomas; Seybert, Gert; Harms, Klaus; Dehnicke, Kurt","Die Kristallstrukturen der Phosphanimin-Komplexe [NaI(HNPPh~3~)~3~] und [SrI~2~(HNPPh~3~)~2~(THF)~2~] sowie des Natrium-triphenylphosphaniminats [NaNPPh~3~]~6~","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","9","2191","2197","10.1002/1521-3749(200109)627:9<2191::AID-ZAAC2191>3.0.CO;2-T","","","","","","","5.2","","","5.2","","","","","","","","","","","has coordinates","176966","2020-10-21","18:00:00",""
"1100262","10.4289","0.0008","13.3744","0.001","20.9511","0.0014","90.13","0.008","96.31","0.008","111.985","0.008","2690.36","","","","193","","","","","","","","","7","P -1","-P 1","2","","trans-Di-iodo-bis(tetrahydrofuran)-bis(triphenylphosphineimine)-strontium tetr ahydrofuran solvate","","- C52 H64 I2 N2 O4 P2 Sr -","- C52 H64 I2 N2 O4 P2 Sr -","- C104 H128 I4 N4 O8 P4 Sr2 -","2","1","","Gröb, Thorsten; Müller, Christoph; Massa, W.; Miekisch, Thomas; Seybert, Gert; Harms, Klaus; Dehnicke, Kurt","Die Kristallstrukturen der Phosphanimin-Komplexe [NaI(HNPPh~3~)~3~] und [SrI~2~(HNPPh~3~)~2~(THF)~2~] sowie des Natrium-triphenylphosphaniminats [NaNPPh~3~]~6~","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","9","2191","2197","10.1002/1521-3749(200109)627:9<2191::AID-ZAAC2191>3.0.CO;2-T","","","","","","","3.1","","","3.1","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100263","14.684","0.006","9.355","0.001","22.515","0.009","90","","101.68","0.02","90","","3028.82","","","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3,3-Diethyl-5-diisopropylamino-2-(2,4-dimethyl-3-(t-butyl-dimethylsilyloxy)-pe ntyliden)-4-oxonia-3-borata-2,3-dihydrofuran","","- C25 H52 B N O3 Si -","- C28 H60 B N O3 Si -","- C112 H240 B4 N4 O12 Si4 -","4","1","","Kocienski, P.; Marsch, M.; Harms, K.; Boche, G.","A vinylic α-carbamoyloxy boran with a carbenoid-type bonding situation","Acta Crystallographica Section E","2002","58","3","o336","o337","10.1107/S1600536802003215","","","","","","","5.89","","","5.89","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100264","5.753","0.001","8.297","0.001","25.098","0.002","90","","90","","90","","1197.99","","","","213","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(S)-4-Aminophenyl-4-methylphenylsulfoxide","","- C13 H13 N O S -","- C13 H13 N O S -","- C52 H52 N4 O4 S4 -","4","1","","Reichardt, Christian; Erfurt, Hans-Peter; Harms, Klaus; Schäfer, Gerhard","Syntheses, Absolute Configurations, and UV/Vis Spectroscopic Properties of New Chiral Tri- and Pentamethinium Streptocyanine Dyes with 4-Aminophenyl 4-Methylphenyl Sulfoxide Endgroups","European Journal of Organic Chemistry","2002","2002","3","439","452","10.1002/1099-0690(20022)2002:3<439::AID-EJOC439>3.0.CO;2-B","","","","","","","4.79","","","4.79","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100265","5.4024","0.0004","16.4819","0.0013","33.13","0.018","90","","91.4","0.02","90","","2949.07","","","","193","","","","","","","","","6","P 1 21 1","P 2yb","4","","(-)-(S,S)-1,3-bis(4-(4-Methylphenylsulfinyl)phenylamino)trimethinium bromide trihydrate","","- C29 H33 Br N2 O5 S2 -","- C29 H31 Br N2 O5 S2 -","- C116 H124 Br4 N8 O20 S8 -","4","2","","Reichardt, Christian; Erfurt, Hans-Peter; Harms, Klaus; Schäfer, Gerhard","Syntheses, Absolute Configurations, and UV/Vis Spectroscopic Properties of New Chiral Tri- and Pentamethinium Streptocyanine Dyes with 4-Aminophenyl 4-Methylphenyl Sulfoxide Endgroups","European Journal of Organic Chemistry","2002","2002","3","439","452","10.1002/1099-0690(20022)2002:3<439::AID-EJOC439>3.0.CO;2-B","","","","","","","4.78","","","4.78","","","","","","","","","","","has coordinates","176878","2020-10-21","18:00:00",""
"1100266","7.9433","0.0016","7.26","0.001","21.921","0.005","90","","92.11","0.03","90","","1263.29","","","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-(S,S)-3-(4-(4-Methylphenylsulfinyl)phenylamino)propenal (4-(4-methylphenyl sulfinyl)phenylimine)","","- C29 H26 N2 O2 S2 -","- C29 H32 N2 O2 S2 -","- C58 H64 N4 O4 S4 -","2","1","","Reichardt, Christian; Erfurt, Hans-Peter; Harms, Klaus; Schäfer, Gerhard","Syntheses, Absolute Configurations, and UV/Vis Spectroscopic Properties of New Chiral Tri- and Pentamethinium Streptocyanine Dyes with 4-Aminophenyl 4-Methylphenyl Sulfoxide Endgroups","European Journal of Organic Chemistry","2002","2002","3","439","452","10.1002/1099-0690(20022)2002:3<439::AID-EJOC439>3.0.CO;2-B","","","","","","","5.67","","","5.67","","","","","","","","","","","has coordinates","176878","2020-10-21","18:00:00",""
"1100267","7.7683","0.001","22.196","0.001","12.8267","0.001","90","","91.138","0.01","90","","2211.21","","","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","t-Butyl(N-t-butylamino)(2,3,4,5,6,7-hexamethyl-1H-inden-1-yl)phosphane","","- C23 H38 N P -","- C23 H38 N P -","- C92 H152 N4 P4 -","4","1","","Kotov, V. V.; Avtomonov, E. V.; Sundermeyer, J.; Harms, K.; Lemenovskii, D. A.","Alkyl(amino)- and Alkyl(chloro)phosphanyl-Substituted Cyclopentadienyl Complexes of Titanium and Zirconium","European Journal of Inorganic Chemistry","2002","2002","3","678","691","10.1002/1099-0682(200203)2002:3<678::AID-EJIC678>3.0.CO;2-3","","","","","","","7.54","","","7.54","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100268","9.351","0.0015","15.6371","0.0019","14.7317","0.0013","90","","91.387","0.011","90","","2153.48","","","","203","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(η^5^-1-(t-Butyl(N,N-diethylamino)phosphanyl)-2,3,4,5-tetramethyl-cyclopentadienyl)-trichloro-titanium","","- C17 H31 Cl3 N P Ti -","- C17 H34 Cl3 N P Ti -","- C68 H136 Cl12 N4 P4 Ti4 -","4","1","","Kotov, V. V.; Avtomonov, E. V.; Sundermeyer, J.; Harms, K.; Lemenovskii, D. A.","Alkyl(amino)- and Alkyl(chloro)phosphanyl-Substituted Cyclopentadienyl Complexes of Titanium and Zirconium","European Journal of Inorganic Chemistry","2002","2002","3","678","691","10.1002/1099-0682(200203)2002:3<678::AID-EJIC678>3.0.CO;2-3","","","","","","","5.5","","","5.5","","","","","","","","","","","has coordinates","177588","2020-10-21","18:00:00",""
"1100269","9.3553","0.0008","15.9882","0.0015","19.585","0.002","103.119","0.012","90.298","0.012","102.334","0.01","2782.6","0.5","193","2","193","2","","","","","","","","4","P 1","P 1","1","","1,3,5-tris(4-Methyl-5-(3-(4-butylphenyl)ureido)pent-2-yl)-perhydro-1,3,5-triazin-2,4,6-trione hemihydrate","","- C54 H82 N9 O6.5 -","- C54 H81 N9 O6.5 -","- C108 H162 N18 O13 -","2","2","","Hoffmann, Reinhard W.; Hettche, Frank; Harms, Klaus","Energies and selectivities for anion binding as a function of host conformational preorganisation","Chemical Communications (Cambridge, United Kingdom)","2002","","7","782","783","10.1039/B200605G","","","0.71073","MoKα","","0.2217","0.0575","","","0.0686","0.1017","","","","","","0.666","","","","has coordinates","177465","2020-10-21","18:00:00",""
"1100272","9.1764","0.0006","13.1644","0.001","30.036","0.003","90","","95.112","0.008","90","","3613.97","","","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N-(2',4',6'-tris-t-butylphenyl)-E-pent-1-enamide)-tris(tetrahydrofuran)-lithium","","- C35 H62 Li N O3 -","- C38 H71 Li N O3 -","- C152 H284 Li4 N4 O12 -","4","1","","Bosold, F.; Marsch, M.; Harms, K.; Boche, G.","Crystal structure of (3THF)-N-lithiium-N-(2',4',6'-tris-t-butyl-phenyl)-E'pentene(1)-amide, C~35~H~62~LiNO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1-4","427","428","10.1524/ncrs.2001.216.14.449","","","","","","","7.85","","","7.85","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100273","9.61","0.002","10.605","0.002","13.459","0.003","88.11","0.01","73.33","0.01","66.56","0.01","1200.43","","","","193","","","","","","","","","5","P -1","-P 1","2","","bis(Tropolonato-O,O')-(bis(trimethylsilyl)methyl)-gallium(iii)","","- C21 H29 Ga O4 Si2 -","- C21 H29 Ga O4 Si2 -","- C42 H58 Ga2 O8 Si4 -","2","1","","Uhl, W.; Prott, M.; Geiseler, G.; Harms, K.","Gallium-Gallium Single Bonds Terminally Coordinated by Tropolonato Ligands","Zeitschrift für Naturforschung B","2002","57","2","141","144","10.1515/znb-2002-0202","","","","","","","8.37","","","8.37","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100274","10.242","0.004","13.28","0.001","13.844","0.004","90","","111.47","0.02","90","","1752.31","","","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-bis(bis(Trimethylsilyl)methyl)-1,2-bis(tropolonato)-di-gallium","","- C28 H48 Ga2 O4 Si4 -","- C56 H96 Ga4 O8 Si8 -","- C112 H192 Ga8 O16 Si16 -","2","0.5","","Uhl, W.; Prott, M.; Geiseler, G.; Harms, K.","Gallium-Gallium Single Bonds Terminally Coordinated by Tropolonato Ligands","Zeitschrift für Naturforschung B","2002","57","2","141","144","10.1515/znb-2002-0202","","","","","","","5.74","","","5.74","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100275","12.799","0.005","5.977","0.005","13.083","0.006","90","","104.36","0.05","90","","969.57","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","1","","Tietze, Lutz-F.; Glüsenkamp, Karl-Heinz; Harms, Klaus; Remberg, Gert; Sheldrick, George M.","Diels-alder reactions of malondialdehyde derivatives with reversed electron demand; an easy approach to structurally unique carbohydrates and compounds of the thromboxane type","Tetrahedron Letters","1982","23","11","1147","1150","10.1016/S0040-4039(00)87045-8","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100276","7.378","0.004","9.74","0.005","11.406","0.006","80.83","0.04","81.26","0.04","81.88","0.04","794.01","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H23 Br O2 -","- C17 H23 Br O2 -","- C34 H46 Br2 O4 -","2","1","","Harms, K.; Jones, P. G.; Sheldrick, G. M.","(6aRS,9RS,10aRS)-4-Bromo-1-methoxy-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydro-6H-dibenzo[b,d]pyran","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","12","3157","3159","10.1107/S0567740880011132","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100277","6.056","0.001","14.434","0.006","21.298","0.004","90","","90","","90","","1861.71","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O8 -","- C19 H24 O8 -","- C76 H96 O32 -","4","1","","Harms, K.; Sheldrick, G. M.; Glüsenkamp, K.-H.; Tietze, L.-F.","An enantiospecific hetero Diels-Alder product","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","9","1268","1269","10.1107/S0108270186092636","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100278","7.649","0.001","8.317","0.001","6.903","0.001","90","","90","","90","","439.15","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- C2 As F9 S2 -","- C2 As S4 -","- C4 As2 S8 -","2","0.25","","Antel, Jochen; Harms, Klaus; Jones, Peter G.; Mews, Rüdiger; Sheldrick, George M.; Waterfeld, Alfred","Kristallstruktur von 2,4,4-Trifluor-1,3-dithietan-2-ylium-hexafluoroarsenat","Chemische Berichte","1985","118","12","5006","5008","10.1002/cber.19851181231","","","","","","","","","","","","","","","","","","","","","has coordinates","177140","2020-10-21","18:00:00",""
"1100279","17.051","0.006","10.017","0.002","23.759","0.03","90","","90","","90","","4058.03","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H56 Li2 N4 O4 S2 -","- C38 H54 Li2 N4 O4 S2 -","- C152 H216 Li8 N16 O16 S8 -","4","1","","Boche, Gernot; Marsch, Michael; Harms, Klaus; Sheldrick, George M.","X-Ray Structure Determination of [α-(Phenylsulfonyl)benzyllithium-Tetramethylethylenediamine]~2~: Chirality of an α-Sulfonyl ""Carbanion""","Angewandte Chemie, International Edition in English","1985","24","7","573","575","10.1002/anie.198505731","","","","","","","","","","","","","","","","","","","","","has coordinates","176970","2020-10-21","18:00:00",""
"1100280","7.578","0.001","7.829","0.001","10.151","0.001","77.18","0.01","87.42","0.01","83.75","0.01","583.6","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C26 H18 N2 O10 -","2","1","","Tietze, Lutz F.; Voß, Edgar; Harms, Klaus; Sheldrick, George M.","Hetero-diels-alder reaction of enaminecarbaldehydes an entry to branched aminosugars","Tetrahedron Letters","1985","26","43","5273","5276","10.1016/S0040-4039(00)95013-5","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100281","10.34","0.005","10.809","0.005","13.613","0.001","97.53","0.04","101.65","0.04","113.84","0.03","1324.01","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N4 O4 -","- C30 H32 N4 O4 -","- C60 H64 N8 O8 -","2","1","","Harms, K.; Sheldrick, G. M.; Brüggemann, K.; Tietze, L. F.","Structure of an unexpected indole photolysis product","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","9","1264","1266","10.1107/S010827018609265X","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100282","8.424","0.001","14.773","0.002","22.165","0.002","90","","90","","90","","2758.38","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 O7 -","- C31 H32 O7 -","- C124 H128 O28 -","4","1","","Harms, K.; Sheldrick, G. M.; Glüsenkamp, K. H.; Tietze, L. F.","Structure of a photolysis product","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","9","1269","1271","10.1107/S0108270186092624","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100283","14.462","0.002","17.405","0.001","17.299","0.002","90","","90","","90","","4354.35","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H29 Cl N4 O3 -","- C23 H29 Cl N4 O3 -","- C184 H232 Cl8 N32 O24 -","8","1","","Harms, K.; Sheldrick, G. M.; Schul, W.; Tietze, L. F.","Structure of an indolochinolizine derivative","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","11","1665","1667","10.1107/S0108270186091023","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100284","7.779","0.006","9.332","0.003","19.627","0.009","90","","90","","90","","1424.8","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","","Harms, K.; Sheldrick, G. M.; Tietze, L.-F.","Stereochemistry of a hetero-Diels-Alder product","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","11","1664","1665","10.1107/S0108270186091035","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100285","8.745","0.002","33.451","0.005","8.845","0.002","90","","90","","90","","2587.42","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H18 O4 S -","- C12 H18 O4 S -","- C96 H144 O32 S8 -","8","1","","Harms, K.; Sheldrick, G. M.; Reichert, U.; Tietze, L. F.","Structure of a cycloheptenone derivative","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","11","1662","1663","10.1107/S0108270186091047","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100286","5.615","0.002","8.013","0.001","16.673","0.004","89.98","0.02","87.9","0.02","85.07","0.02","746.89","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O7 -","- C14 H18 O7 -","- C28 H36 O14 -","2","1","","Harms, K.; Jones, P. G.; Sheldrick, G. M.","Structure of an iridoid-like photolysis product","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","11","1661","1662","10.1107/S0108270186091059","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100287","9.68","0.002","15.834","0.004","24.029","0.006","90","","99.46","0.02","90","","3632.91","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 Li2 N6 -","- C34 H50 Li2 N6 -","- C136 H200 Li8 N24 -","4","1","","Boche, Gernot; Marsch, Michael; Harms, Klaus","[(α-Cyanobenzyllithium. Tetramethylethylenediamine)~2~. Benzene]: X-ray Structure Analysis of an α-Nitrile ""Carbanion""","Angewandte Chemie, International Edition in English","1986","25","4","373","374","10.1002/anie.198603731","","","","","","","","","","","","","","","","","","","","","has coordinates","177003","2020-10-21","18:00:00",""
"1100288","9.689","0.002","15.699","0.004","23.914","0.006","90","","99.43","0.02","90","","3588.35","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 Li2 N6 -","- C34 H50 Li2 N6 -","- C136 H200 Li8 N24 -","4","1","","Boche, Gernot; Marsch, Michael; Harms, Klaus","[(α-Cyanobenzyllithium. Tetramethylethylenediamine)~2~. Benzene]: X-ray Structure Analysis of an α-Nitrile ""Carbanion""","Angewandte Chemie, International Edition in English","1986","25","4","373","374","10.1002/anie.198603731","","","","","","","","","","","","","","","","","","","","","has coordinates","177003","2020-10-21","18:00:00",""
"1100289","9.191","0.001","16.567","0.002","11.465","0.004","90","","101.93","0.02","90","","1708.04","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","2","","Tietze, Lutz F.; Brand, Siegbert; Pfeiffer, Thomas; Antel, Jochen; Harms, Klaus; Sheldrick, George M.","Intra- and intermolecular hetero-Diels-Alder reactions. 15. Asymmetric induction in Grignard and hetero-Diels-Alder reactions of chiral α,β-unsaturated carbonyl compounds","Journal of the American Chemical Society","1987","109","3","921","923","10.1021/ja00237a060","","","","","","","","","","","","","","","","","","","","","has coordinates","177985","2020-10-21","18:00:00",""
"1100290","38.55","0.02","12.015","0.006","18.13","0.01","90","","96.59","0.05","90","","8341.94","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H58 Li2 N4 O2 S2 -","- C40 H58 Li2 N4 O2 S2 -","- C320 H464 Li16 N32 O16 S16 -","8","1","","Marsch, Michael; Massa, Werner; Baum, Gerhard; Boche, Gernot; Harms, Klaus","[α-(Phenylsulfinyl)-α-methylbenzyllithium-tetramethylethylenediamine]~2~: Crystal Structure of an α-Sulfinyl ""Carbanion""","Angewandte Chemie, International Edition in English","1986","25","11","1011","1012","10.1002/anie.198610111","","","","","","","","","","","","","","","","","","","","","has coordinates","177385","2020-10-21","18:00:00",""
"1100291","8.445","0.001","11.02","0.001","13.504","0.001","90","","92.58","0.01","90","","1255.46","","","","","","","","","","","","","5","P 21/n","","14","","","","- C18 H42 Cl2 Mg2 N4 -","","","2","","","Marsch, Michael; Harms, Klaus; Massa, Werner; Boche, Gernot","Crystal Structure of the η^1^-Allyl-Grignard Compound Bis(allylmagnesium chloride-TMEDA)","Angewandte Chemie, International Edition in English","1987","26","7","696","697","10.1002/anie.198706961","","","","","","","","","","","","","","","","","","","","","","176973","2020-10-21","18:00:00",""
"1100292","8.116","0.004","9.684","0.004","13.998","0.006","90","","90","","90","","1100.18","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C44 H56 O20 -","4","1","","Harms, K.; Jones, P. G.; Sheldrick, G. M.; Tietze, L. F.; Uzar, H. C.","Methyl (1S,5S,6S,7R)-6-formyl-7-methyl-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylate","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","12","3156","3157","10.1107/S0567740880011120","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100293","8.886","0.001","10.706","0.001","12.807","0.001","109.5","0.01","108.06","0.01","98.94","0.01","1045.36","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N O6 W -","- C21 H19 N O6 W -","- C42 H38 N2 O12 W2 -","2","1","","Dötz, K. H.; Noack, R.; Harms, K.; Müller, G.","Carbene complexes in intramolecular Diels-Alder reactions","Tetrahedron","1990","46","4","1235","1252","10.1016/s0040-4020(01)86689-8","","","","","","","","","","","","","","","","","","","","","has coordinates","178001","2020-10-21","18:00:00",""
"1100294","11.195","0.003","21.374","0.005","12.619","0.003","90","","112.66","0.03","90","","2786.42","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H84 Li4 O8 S2 Si4 -","- C84 H148 Li8 O16 S4 Si8 -","- C168 H296 Li16 O32 S8 Si16 -","2","0.5","","Hollstein, Werner; Harms, Klaus; Marsch, Michael; Boche, Gernot","X-Ray Structure Analysis of the Li~2~-Compound of Bis(trimethylsilyl)metnyl Phenyl Sulfone; Structural Units of an α-Sulfonyl- and a Complex-Stabilizedortho-Sulfonyl-""Carbanion""","Angewandte Chemie, International Edition in English","1987","26","12","1287","1288","10.1002/anie.198712871","","","","","","","","","","","","","","","","","","","","","has coordinates","177016","2020-10-21","18:00:00",""
"1100295","10.334","0.003","11.834","0.001","16.445","0.002","90","","102.33","","90","","1964.71","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cr O5 P -","- C21 H19 Cr O5 P -","- C84 H76 Cr4 O20 P4 -","4","1","","Dötz, Karl Heinz; Tiriliomis, Athanassios; Harms, Klaus; Regitz, Manfred; Annen, Ulrich","Annelation of Carbene Ligands by λ^3^-Phosphaalkynes, an Entry to Functionalized Phosphaarenes","Angewandte Chemie, International Edition in English","1988","27","5","713","714","10.1002/anie.198807131","","","","","","","","","","","","","","","","","","","","","has coordinates","176969","2020-10-21","18:00:00",""
"1100296","11.493","0.003","9.567","0.002","19.636","0.003","90","","93.18","0.02","90","","2155.72","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Li N O -","- C20.5 Li2.5 N3 O2 -","- C164 Li20 N24 O16 -","8","2","","Boche, Gernot; Harms, Klaus; Marsch, Michael","X-ray structure determination of [1-cyano-2,.2-dimtheylcyclopropyllithium·tetrahydrofuran]~∞~: a tetrahedral anionic α-cyano carbon atom","Journal of the American Chemical Society","1988","110","20","6925","6926","10.1021/ja00228a073","","","","","","","","","","","","","","","","","","","","","has coordinates","177986","2020-10-21","18:00:00",""
"1100297","8.225","0.002","10.598","0.002","12.754","0.002","96.3","0.01","105.52","0.01","106.17","0.01","1008.23","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C48 H48 N4 O2 -","2","1","","Reetz, M. T.; Drewes, M. W.; Harms, K.; Reif, W.","Stereoselective cyanohydrin-forming reactions of chiral α-amino aldehydes","Tetrahedron Letters","1988","29","27","3295","3298","10.1016/0040-4039(88)85144-X","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100298","9.786","0.001","10.649","0.001","16.435","0.002","90","","98.6","0.01","90","","1693.45","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cr N O6 -","- C17 H13 Cr N O6 -","- C68 H52 Cr4 N4 O24 -","4","1","","Dötz, Karl Heinz; Erben, Hans-Georg; Staudacher, Wolfgang; Harms, Klaus; Müller, Gerhard; Riede, Jürgen","Reaktionen von Komplexliganden: XXXIV. Tetracarbonyl-Carben-Chelatkomplexe des Chroms, Molybdäns und Wolframs","Journal of Organometallic Chemistry","1988","355","1-3","177","191","10.1016/0022-328x(88)89020-x","","","","","","","","","","","","","","","","","","","","","has coordinates","178075","2020-10-21","18:00:00",""
"1100299","7.477","0.001","9.591","0.001","11.09","0.001","73.08","0.02","72.89","0.02","77.19","0.02","719.08","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cr O5 S -","- C13 H10 Cr O5 S -","- C26 H20 Cr2 O10 S2 -","2","1","","Dötz, Karl Heinz; Erben, Hans-Georg; Staudacher, Wolfgang; Harms, Klaus; Müller, Gerhard; Riede, Jürgen","Reaktionen von Komplexliganden: XXXIV. Tetracarbonyl-Carben-Chelatkomplexe des Chroms, Molybdäns und Wolframs","Journal of Organometallic Chemistry","1988","355","1-3","177","191","10.1016/0022-328x(88)89020-x","","","","","","","","","","","","","","","","","","","","","has coordinates","178075","2020-10-21","18:00:00",""
"1100300","14.724","0.003","8.561","0.002","13.267","0.003","90","","104.11","0.02","90","","1621.88","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 Li N4 -","- C33 H73 Li6 N20 -","- C132 H292 Li24 N80 -","4","1","","Buchholz, Stefan; Harms, Klaus; Marsch, Michael; Massa, Werner; Boche, Gernot","Model of a Solvent-Shared Ion Pair with N‒H⋯C Hydrogen Bonds between Amine and Carbanion-Crystal Structure of [Fluorenyllithium·2 Ethylenediamine]~∞~","Angewandte Chemie, International Edition in English","1989","28","1","72","73","10.1002/anie.198900721","","","","","","","","","","","","","","","","","","","","","has coordinates","177008","2020-10-21","18:00:00",""
"1100301","12.941","0.002","9.45","0.001","6.459","0.001","90","","90","","90","","789.89","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C8 H6 N4 -","- C14 H10 N6 -","- C56 H40 N24 -","4","0.5","","Buchholz, Stefan; Harms, Klaus; Massa, Werner; Boche, Gernot","Hydrogen Bonds between an NH~4~^⊕^ Ion and a Carbanion—Crystal Structure of Ammonium 1,2,4-Tricyanocyclopentadienide","Angewandte Chemie, International Edition in English","1989","28","1","73","75","10.1002/anie.198900731","","","","","","","","","","","","","","","","","","","","","has coordinates","177366","2020-10-21","18:00:00",""
"1100302","22.736","0.005","6.809","0.001","25.373","0.01","90","","107.86","0.02","90","","3738.69","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 Cr O5 -","- C19 H22 Cr O5 -","- C152 H176 Cr8 O40 -","8","1","","Dötz, Karl Heinz; Erben, Hans-Georg; Harms, Klaus","Aminocarbene annulation by alkynes: a regio- and diastereo-selective route to indanone complexes","Journal of the Chemical Society, Chemical Communications","1989","","11","692","693","10.1039/c39890000692","","","","","","","","","","","","","","","","","","","","","has coordinates","177999","2020-10-21","18:00:00",""
"1100303","9.968","0.002","11.966","0.003","14.171","0.002","77.24","0.02","73.47","0.01","87.16","0.02","1580.24","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H52 Li2 N6 -","- C26 H52 Li2 N6 -","- C52 H104 Li4 N12 -","2","1","","Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot","X-Ray Structure Analysis of α-Lithiophenylacetonitrile · Lithium Diisopropyl amide · 2 Tetramethylethylenediamine—a ""Quasi-Dianion Complex""","Angewandte Chemie, International Edition in English","1989","28","10","1392","1394","10.1002/anie.198913921","","","","","","","","","","","","","","","","","","","","","has coordinates","177400","2020-10-21","18:00:00",""
"1100304","23.355","0.005","11.187","","15.629","","90","","111.66","0.01","90","","3795.1","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Cr N O6 -","- C17 H17 Cr N O6 -","- C136 H136 Cr8 N8 O48 -","8","1","","Dötz, Karl Heinz; Grotjahn, Douglas; Harms, Klaus","Activated Aminocarbene Complexes of the Fischer Type: Synthesis, Structure, and Annelation Reactions","Angewandte Chemie, International Edition in English","1989","28","10","1384","1386","10.1002/anie.198913841","","","","","","","","","","","","","","","","","","","","","has coordinates","177010","2020-10-21","18:00:00",""
"1100305","15.574","0.002","15.678","0.001","16.257","0.001","74.01","0.01","84.38","0.01","61.32","0.01","3344.96","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H182 Li24 N12 O6 Si12 -","- C180 H364 Li48 N24 O12 Si24 -","- C180 H364 Li48 N24 O12 Si24 -","1","0.5","","Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot","[{Li~2~(Me~3~SiCCN)}~12~(Et~2~O)~6~(C~6~H~14~)], Kristallstruktur mit dem Trimethylsilylacetonitril-Dianion","Chemische Berichte","1989","122","7","1307","1311","10.1002/cber.19891220714","","","","","","","","","","","","","","","","","","","","","has coordinates","177142","2020-10-21","18:00:00",""
"1100306","6.11","0.002","9.353","0.003","14.739","0.004","82.96","0.03","83.11","0.02","85.04","0.02","827.7","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O6 W -","- C16 H13 N O6 W -","- C32 H26 N2 O12 W2 -","2","1","","Dötz, K. H.; Noack, R.; Harms, K.; Müller, G.","Carbene complexes in intramolecular Diels-Alder reactions","Tetrahedron","1990","46","4","1235","1252","10.1016/s0040-4020(01)86689-8","","","","","","","","","","","","","","","","","","","","","has coordinates","178001","2020-10-21","18:00:00",""
"1100307","9.617","0.001","11.345","0.001","15.09","0.002","97.07","0.01","108.05","0.01","107.29","0.01","1452.04","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N2 O5 -","- C31 H32 N2 O5 -","- C62 H64 N4 O10 -","2","1","","Reetz, M. T.; Wünsch, T.; Harms, K.","Stereoselective synthesis of α,γ-diamino-β-hydroxy amino acid esters: A new class of amino acids","Tetrahedron: Asymmetry","1990","1","6","371","374","10.1016/0957-4166(90)90036-a","","","","","","","","","","","","","","","","","","","","","has coordinates","200395","2020-10-21","18:00:00",""
"1100308","11.907","0.003","8.094","0.002","14.868","0.005","90","","90.03","0.05","90","","1432.91","","","","","","","","","","","","","3","P 21/n","","14","","","","- C16 H24 O2 -","","","4","","","Tietze, Lutz-F.; von Kiedrowski, Günter; Harms, Klaus; Clegg, William; Sheldrick, George","Stereocontrolled Intramolecular Diels-Alder Reaction of Heterodienes; Studies on the Synthesis of Cannabinoids","Angewandte Chemie, International Edition in English","1980","19","2","134","135","10.1002/anie.198001341","","","","","","","","","","","","","","","","","","","","","","176971","2020-10-21","18:00:00",""
"1100309","7.44","0.002","11.609","0.002","12.295","0.003","90","","90","","90","","1061.93","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 Cl N O -","- C9 H20 Cl N O -","- C36 H80 Cl4 N4 O4 -","4","1","","Harms, K.; Sheldrick, G. M.; Fischer, R.; Tietze, L. F.","[(1RS,2RS,3SR)-3-Hydroxy-2-methylcyclopentyl]trimethylammonium chloride","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","12","3206","3208","10.1107/S0567740880011338","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100310","10.298","0.003","9.915","0.002","10.835","0.002","90","","114.62","0.04","90","","1005.73","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 O2 Se -","- C22 H28 O2 Se -","- C44 H56 O4 Se2 -","2","1","","Clegg, W.; Harms, K.; Sheldrick, G. M.; von Kiedrowski, G.; Tietze, L. F.","(2S,6aR,10aR)-6,6,9-Trimethyl-1-oxo-2-phenylseleno-1,2,3,4,6a,7,8,9,10,10a-decahydro-6H-dibenzo[b,d]pyran","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","12","3159","3162","10.1107/S0567740880011144","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100311","7.894","0.001","16.227","0.002","9.707","0.002","90","","101.01","","90","","1220.54","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H37 Li N2 O3 -","- C26 H37 Li N2 O3 -","- C52 H74 Li2 N4 O6 -","2","1","","Enders, Dieter; Bachstädter, Gerhard; Kremer, Kenneth A. M.; Marsch, Michael; Harms, Klaus; Boche, Gernot","Structure of a Chiral Lithium Azaenolate: Monomeric, Intramolecular Chelated Lithio-2-acetylnaphthalene-SAMP-hydrazone","Angewandte Chemie, International Edition in English","1988","27","11","1522","1524","10.1002/anie.198815221","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100312","15.141","0.002","15.338","0.002","20.827","0.002","90","","90","","90","","4836.71","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H64 Li2 N2 O2 -","- C56 H64 Li2 N2 O2 -","- C224 H256 Li8 N8 O8 -","4","1","","Ahlbrecht, Hubertus; Boche, Gernot; Harms, Klaus; Marsch, Michael; Sommer, Horst","Chirale Homoenolat-Äquivalente, IV. Kristallstruktur einer chiralen 1-Aminoallyllithium-Verbindung: dimeres, intramolekular chelatisiertes (3S)-3-Lithio-1-[(S)-2-(methoxymethyl)pyrrolidino]-1,3-diphenylpropen","Chemische Berichte","1990","123","9","1853","1858","10.1002/cber.19901230917","","","","","","","","","","","","","","","","","","","","","has coordinates","177149","2020-10-21","18:00:00",""
"1100313","9.425","0.002","9.49","0.002","12.386","0.001","94.741","0.001","97.68","0.01","102.49","0.01","1064.78","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N O -","- C26 H29 N O -","- C52 H58 N2 O2 -","2","1","","Priepke, Henning; Brückner, Reinhard; Harms, Klaus","Asymmetric Induction in the Wittig-Still Rearrangement of Ethers Containing an Allylic Stereocenter – Diastereocontrol by Allylic Nitrogen","Chemische Berichte","1990","123","3","555","563","10.1002/cber.19901230323","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100314","9.939","0.002","8.52","0.002","23.674","0.001","90","","90","","90","","2004.72","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O4 -","- C20 H28 N2 O4 -","- C80 H112 N8 O16 -","4","1","","Priepke, Henning; Brückner, Reinhard; Harms, Klaus","Asymmetric Induction in the Wittig-Still Rearrangement of Ethers Containing an Allylic Stereocenter – Diastereocontrol by Allylic Nitrogen","Chemische Berichte","1990","123","3","555","563","10.1002/cber.19901230323","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100315","11.024","0.006","23.659","0.009","16.377","0.018","90","","101.83","0.03","90","","4180.67","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Li8 O4 -","- C32 H72 Li8 O4 -","- C128 H288 Li32 O16 -","4","1","","Marsch, Michael; Harms, Klaus; Lochmann, Lubomir; Boche, Gernot","[nBuLi · LiOtBu]~4~, Solid-State Structure of an n-Butyllithium‒Lithiumtert-Butoxide Complex","Angewandte Chemie, International Edition in English","1990","29","3","308","309","10.1002/anie.199003081","","","","","","","","","","","","","","","","","","","","","has coordinates","177606","2020-10-21","18:00:00",""
"1100316","7.963","0.001","10.014","0.001","12.011","0.002","90","","109.22","0.006","90","","904.39","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H26 O3 Si -","- C15 H25 O3 Si -","- C30 H50 O6 Si2 -","2","1","","Scheuplein, Stefan W.; Kusche, Andreas; Brückner, Reinhard; Harms, Klaus","Asymmetric Induction in the [2,3] Witting Rearrangement by Chiral Substituents in the Allyl Moiety: 1,3-Asymmetric Induction","Chemische Berichte","1990","123","4","917","925","10.1002/cber.19901230443","","","","","","","","","","","","","","","","","","","","","has coordinates","177563","2020-10-21","18:00:00",""
"1100317","8.854","0.002","13.399","0.001","25.919","0.006","90","","95.38","0.01","90","","3061.35","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cr N O4 -","- C16 H15 Cr N O4 -","- C128 H120 Cr8 N8 O32 -","8","2","","Dötz, Karl Heinz; Schäfer, Thomas; Harms, Klaus","Synthesis of Nitrogen Heterocycles by Diastereoselective Intramolecular Aminocarbene Annelation","Angewandte Chemie, International Edition in English","1990","29","2","176","177","10.1002/anie.199001761","","","","","","","","","","","","","","","","","","","","","has coordinates","177015","2020-10-21","18:00:00",""
"1100318","10.147","0.003","10.693","0.002","11.919","0.003","86.94","0.02","88.69","0.02","85.89","0.02","1287.83","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H64 Li2 O10 S2 -","- C108 H128 Li4 O20 S4 -","- C108 H128 Li4 O20 S4 -","1","0.5","","Hollstein, Werner; Harms, Klaus; Marsch, Michael; Boche, Gernot","X-Ray Structure Investigation of 2,2-Diphenyl-1-(phenylsulfonyl)cyclopropyllithium-Dimethoxyethane (2/3): A Sulfonyl ""Carbanion"" Having an α-C Atom with a Tetrahedral Configuration","Angewandte Chemie, International Edition in English","1988","27","6","846","847","10.1002/anie.198808461","","","","","","","","","","","","","","","","","","","","","has coordinates","177017","2020-10-21","18:00:00",""
"1100319","9.695","0.004","12.819","0.003","13.696","0.006","90","","90","","90","","1702.14","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 Cl4 O2 Sn -","- C12 H16 Cl4 O2 Sn -","- C48 H64 Cl16 O8 Sn4 -","4","1","","Reetz, M. T.; Harms, K.; Reif, W.","An X-ray structural analysis of a chiral α-alkoxy-ketone/SnCl~4~ chelate","Tetrahedron Letters","1988","29","46","5881","5884","10.1016/s0040-4039(00)82215-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176932","2020-10-21","18:00:00",""
"1100320","14.876","0.002","13.72","0.005","14.101","0.006","90","","99.43","0.03","90","","2839.1","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl4 O2 Sn -","- C9 H10 Cl4 O2 Sn -","- C72 H80 Cl32 O16 Sn8 -","8","2","","Reetz, M. T.; Harms, K.; Reif, W.","An X-ray structural analysis of a chiral α-alkoxy-ketone/SnCl~4~ chelate","Tetrahedron Letters","1988","29","46","5881","5884","10.1016/s0040-4039(00)82215-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176932","2020-10-21","18:00:00",""
"1100321","11.75","0.004","14.001","0.005","16.751","0.007","90","","107.21","0.03","90","","2632.35","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 Au O2 P S -","- C29 H29 Au O2 P S -","- C116 H116 Au4 O8 P4 S4 -","4","1","","Kneuper, Heinz-Josef; Harms, Klaus; Boche, Gernot","FunktionalisierteÜbergangsmetallalkyle: Synthese und Kristallstruktur von Ph~3~PAuCHPhSO~2~-t-Bu","Journal of Organometallic Chemistry","1989","364","1-2","275","279","10.1016/0022-328x(89)85350-1","","","","","","","","","","","","","","","","","","","","","has coordinates","178076","2020-10-21","18:00:00",""
"1100322","15.462","0.005","6.78","0.001","19.762","0.005","90","","101.84","0.02","90","","2027.62","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cr O6 P -","- C19 H21 Cr O6 P -","- C76 H84 Cr4 O24 P4 -","4","1","","Dötz, Karl Heinz; Tiriliomis, Athanassios; Harms, Klaus","Synthesis of 1,3-oxaphospholes via chromium mediated cyclization of carbenes, carbon monoxide, and phospha-alkynes","Journal of the Chemical Society, Chemical Communications","1989","","12","788","790","10.1039/c39890000788","","","","","","","","","","","","","","","","","","","","","has coordinates","177998","2020-10-21","18:00:00",""
"1100323","10.093","0.005","11.836","0.005","13.157","0.005","90","","106.72","","90","","1505.3","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O4 S W -","- C15 H12 O4 S W -","- C60 H48 O16 S4 W4 -","4","1","","Kneuper, Heinz-Josef; Zimmermann, Christoph; Harms, Klaus; Boche, Gernot","Funktionalisierte Übergangsmetallalkyle, II. Synthese, Kristallstruktur und Reaktivität von (η~5~-C~5~H~5~)W(CO)~3~‒CH~2~‒S(O)‒C~6~H~5~, einem α-metallierten Sulfoxid","Chemische Berichte","1989","122","6","1043","1047","10.1002/cber.19891220605","","","","","","","","","","","","","","","","","","","","","has coordinates","177143","2020-10-21","18:00:00",""
"1100324","15.595","0.002","18.672","0.004","19.023","0.005","90","","90","","90","","5539.3","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H71 Co N6 O14 -","- C54 H71 Co N6 O15 -","- C216 H284 Co4 N24 O60 -","4","1","","Battersby, A. R.; Grgurina, I.; Raithby, P. R.; Egert, E.; Harms, K.; Sheldrick, G. M.","Structure of dicyano-15-norcobyrinic acid heptamethyl ester","Acta Crystallographica, Section C: Crystal Structure Communications","1989","45","10","1589","1593","10.1107/S0108270189002969","","","","","","","","","","","","","","","","","","","","","has coordinates","176924","2020-10-21","18:00:00",""
"1100325","11.093","0.002","11.474","0.001","19.574","","90","","93.63","0.01","90","","2486.4","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 Cr N O7 -","- C26 H34 Cr N O7 -","- C104 H136 Cr4 N4 O28 -","4","1","","Dötz, Karl Heinz; Grotjahn, Douglas; Harms, Klaus","Reaktionen von komplexliganden XXXVIII. Bisacylierung von aminocarben-komplexen zu 2-azaallenyl-komplexen","Journal of Organometallic Chemistry","1989","375","2","C47","C50","10.1016/0022-328x(89)85122-8","","","","","","","","","","","","","","","","","","","","","has coordinates","178077","2020-10-21","18:00:00",""
"1100326","8.682","0.002","15.387","0.001","13.934","0.003","90","","103.3","0.01","90","","1811.52","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 Li N2 O -","- C17 H31 Li N2 O -","- C68 H124 Li4 N8 O4 -","4","1","","Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot","η^1^-C~6~H~5~CH~2~Li·THF·TMEDA, Kristallstruktur eines Benzyllithium·THF·TMEDA-Komplexes mit einem pyramidalen Benzyl-C-Atom","Chemische Berichte","1989","122","12","2303","2309","10.1002/cber.19891221217","","","","","","","","","","","","","","","","","","","","","has coordinates","177141","2020-10-21","18:00:00",""
"1100327","8.109","0.001","11.7878","0.0001","13.696","0.001","109.38","0.01","104.62","0.001","96.65","0.01","1166.09","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 O4 Si -","- C25 H30 O4 Si -","- C50 H60 O8 Si2 -","2","1","","Koert, Ulrich; Stein, Matthias; Harms, Klaus","Tetrahydrofuran-podands, stereoselective synthesis of trans-2,5-oligo-tetrahydrofurans","Tetrahedron Letters","1993","34","14","2299","2302","10.1016/s0040-4039(00)77598-8","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100328","9.32","0.001","12.832","0.001","11.842","0.001","90","","106.47","0.01","90","","1358.12","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 Li2 N2 O2 -","- C52 H88 Li4 N4 O4 -","- C104 H176 Li8 N8 O8 -","2","0.5","","Boche, Gernot; Marsch, Michael; Harbach, Jürgen; Harms, Klaus; Ledig, Burkhard; Schubert, Frank; Lohrenz, John C. W.; Ahlbrecht, Hubertus","[α-(Dimethylamino)benzyllithium‒Diethyl Ether]~2~, (S)-α-(Methylpivaloylamino)benzyllithium ‒ (‒)-Sparteine, and [3-Iodo-2-lithio-1-methylindole ‒ 2 Tetrahydrofuran]~2~: Crystal Structure Investigations of α-Lithiated Amines","Chemische Berichte","1993","126","8","1887","1894","10.1002/cber.19931260820","","","","","","","","","","","","","","","","","","","","","has coordinates","177573","2020-10-21","18:00:00",""
"1100329","9.466","0.003","12.907","0.003","21.268","0.003","90","","90","","90","","2598.47","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 Li N3 O -","- C28 H44 Li N3 O -","- C112 H176 Li4 N12 O4 -","4","1","","Boche, Gernot; Marsch, Michael; Harbach, Jürgen; Harms, Klaus; Ledig, Burkhard; Schubert, Frank; Lohrenz, John C. W.; Ahlbrecht, Hubertus","[α-(Dimethylamino)benzyllithium–Diethyl Ether]~2~, (S)-α-(Methylpivaloylamino)benzyllithium – (–)-Sparteine, and [3-Iodo-2-lithio-1-methylindole – 2 Tetrahydrofuran]~2~: Crystal Structure Investigations of α-Lithiated Amines","Chemische Berichte","1993","126","8","1887","1894","10.1002/cber.19931260820","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100330","9.478","0.008","10.091","0.006","20.268","0.016","81.44","0.06","76.61","0.06","69.23","0.05","1758.48","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H46 I2 Li2 N2 O4 -","- C68 H92 I4 Li4 N4 O8 -","- C136 H184 I8 Li8 N8 O16 -","2","1","","Boche, Gernot; Marsch, Michael; Harbach, Jürgen; Harms, Klaus; Ledig, Burkhard; Schubert, Frank; Lohrenz, John C. W.; Ahlbrecht, Hubertus","[α-(Dimethylamino)benzyllithium‒Diethyl Ether]~2~, (S)-α-(Methylpivaloylamino)benzyllithium ‒ (‒)-Sparteine, and [3-Iodo-2-lithio-1-methylindole ‒ 2 Tetrahydrofuran]~2~: Crystal Structure Investigations of α-Lithiated Amines","Chemische Berichte","1993","126","8","1887","1894","10.1002/cber.19931260820","","","","","","","","","","","","","","","","","","","","","has coordinates","177573","2020-10-21","18:00:00",""
"1100331","23.355","0.005","11.187","","15.629","","90","","111.66","0.01","90","","3795.1","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Cr N O6 -","- C17 H17 Cr N O6 -","- C136 H136 Cr8 N8 O48 -","8","1","","Grotjahn, D. B.; Kroll, F. E. K.; Schaefer, T.; Harms, K.; Doetz, K. H.","Reactions of complex ligands. 45. (Acylamino)carbene complexes: synthesis, structure, and reactivity","Organometallics","1992","11","1","298","310","10.1021/om00037a052","","","","","","","","","","","","","","","","","","","","","has coordinates","177957","2020-10-21","18:00:00",""
"1100332","12.955","0.002","9.721","0.002","15.582","0.001","90","","102.54","0.01","90","","1915.52","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 Li N2 Si -","- C16 H31 Li N2 Si -","- C64 H124 Li4 N8 Si4 -","4","1","","Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Frenking, Gernot; Boche, Gernot; Koch, Wolfram","Röntgenstrukturuntersuchung von α-(Trimethylsilyl)benzyllithium·Tetramethylendiamin [C~6~H~5~CH(SiMe~3~)Li·TMEDA] und α-(Phenylthio)-benzyllithium·3 Tetrahydrofuran [C~6~H~5~CH(SPh)Li·(THF)~3~] – zwei zentral-chirale Benzyllithium-Verbindungen","Chemische Berichte","1991","124","3","543","549","10.1002/cber.19911240321","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100333","9.106","0.002","9.394","0.002","28.743","0.006","90","","93.13","0.02","90","","2455.06","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 Li O3 S -","- C25 H35 Li O3 S -","- C100 H140 Li4 O12 S4 -","4","1","","Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Frenking, Gernot; Boche, Gernot; Koch, Wolfram","Röntgenstrukturuntersuchung von α-(Trimethylsilyl)benzyllithium·Tetramethylendiamin [C~6~H~5~CH(SiMe~3~)Li·TMEDA] und α-(Phenylthio)-benzyllithium·3 Tetrahydrofuran [C~6~H~5~CH(SPh)Li·(THF)~3~] ‒ zwei zentral-chirale Benzyllithium-Verbindungen","Chemische Berichte","1991","124","3","543","549","10.1002/cber.19911240321","","","","","","","","","","","","","","","","","","","","","has coordinates","177564","2020-10-21","18:00:00",""
"1100334","6.326","0.001","11.667","0.001","15.709","0.002","90","","94.9","0.01","90","","1155.17","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 O2 -","- C12 H22 O2 -","- C48 H88 O8 -","4","1","","Wolff, J. Jens; Frenking, Gernot; Harms, Klaus","The Conformational Behaviour of 10-Substituted Spiro[4.5]decanes","Chemische Berichte","1991","124","3","551","561","10.1002/cber.19911240322","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100335","6.351","0.002","11.877","0.006","16.86","0.006","90","","90.92","0.03","90","","1271.6","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H21 Br O2 -","- C12 H21 Br O2 -","- C48 H84 Br4 O8 -","4","1","","Wolff, J. Jens; Frenking, Gernot; Harms, Klaus","The Conformational Behaviour of 10-Substituted Spiro[4.5]decanes","Chemische Berichte","1991","124","3","551","561","10.1002/cber.19911240322","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100336","6.329","0.0001","7.805","0.0001","16.812","0.0001","77.29","0.001","83.14","0.001","78.75","0.001","792.01","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Cr N2 O4 -","- C17 H12 Cr N2 O4 -","- C34 H24 Cr2 N4 O8 -","2","1","","Dötz, Karl Heinz; Rau, Alexander; Harms, Klaus","Reaktionen von Komplexliganden, IL. Synthese und Struktur fünf- und sechsgliedriger Aminocarben-C,N-Chelatkomplexe des Chroms","Chemische Berichte","1992","125","9","2137","2142","10.1002/cber.19921250923","","","","","","","","","","","","","","","","","","","","","has coordinates","177571","2020-10-21","18:00:00",""
"1100337","8.37","0.002","15.438","0.003","12.661","0.003","90","","106.43","0.03","90","","1569.2","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Mo N O5 -","- C14 H13 Mo N O5 -","- C56 H52 Mo4 N4 O20 -","4","1","","Dötz, Karl Heinz; Larbig, Harald; Harms, Klaus","Reaktionen von Komplexliganden, LI. Synthese und Reaktionen stabiler (Carben)tetracarbonyl-Chelatkomplexe des Molybdäns","Chemische Berichte","1992","125","9","2143","2148","10.1002/cber.19921250924","","","","","","","","","","","","","","","","","","","","","has coordinates","177605","2020-10-21","18:00:00",""
"1100338","10.796","0.001","15.242","0.001","14.732","0.002","90","","99.32","0.01","90","","2392.19","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Cr N2 O4 -","- C25 H26 Cr N2 O4 -","- C100 H104 Cr4 N8 O16 -","4","1","","Dötz, Karl Heinz; Rau, Alexander; Harms, Klaus","Reaktionen von komplexliganden: LII. Sechsgliedrige aminocarben-chelatkomplexe: Synthese, alkin/carben-verknüpfung und carbenanellierung","Journal of Organometallic Chemistry","1992","439","3","263","277","10.1016/0022-328x(92)85092-b","","","","","","","","","","","","","","","","","","","","","has coordinates","178078","2020-10-21","18:00:00",""
"1100339","7.815","0.001","14.467","0.003","27.772","0.005","90","","92.175","0.001","90","","3137.63","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 Li3 N6 O8 -","- C27 H35 Li3 N6 O8 -","- C108 H140 Li12 N24 O32 -","4","1","","Hiller, Wolfgang; Frey, Stephanie; Strähle, Joachim; Boche, Gernot; Zarges, Wolfgang; Harms, Klaus; Marsch, Michael; Wollert, René; Dehnicke, Kurt","Die Kristallstrukturen von {Li~3~(12-Krone-4)~2~[HC(CN)~2~]~3~}, {Na(15-Krone-5)-[HC(CN)~2~]} und {Na[N(nBu)~4~][HC(CN)~2~]~2~ · THF}","Chemische Berichte","1992","125","1","87","92","10.1002/cber.19921250114","","","","","","","","","","","","","","","","","","","","","has coordinates","177568","2020-10-21","18:00:00",""
"1100340","7.345","0.001","14.108","0.001","7.785","0.001","90","","95.065","0.004","90","","803.56","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H21 N2 Na O5 -","- C13 H21 N2 Na O5 -","- C26 H42 N4 Na2 O10 -","2","1","","Hiller, Wolfgang; Frey, Stephanie; Strähle, Joachim; Boche, Gernot; Zarges, Wolfgang; Harms, Klaus; Marsch, Michael; Wollert, René; Dehnicke, Kurt","Die Kristallstrukturen von {Li~3~(12-Krone-4)~2~[HC(CN)~2~]~3~}, {Na(15-Krone-5)-[HC(CN)~2~]} und {Na[N(nBu)~4~][HC(CN)~2~]~2~ · THF}","Chemische Berichte","1992","125","1","87","92","10.1002/cber.19921250114","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100341","13.312","0.001","13.874","0.001","15.717","0.001","90","","90","","90","","2902.78","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 N5 Na O -","- C26 H46 N7 Na3 O -","- C104 H184 N28 Na12 O4 -","4","1","","Hiller, Wolfgang; Frey, Stephanie; Strähle, Joachim; Boche, Gernot; Zarges, Wolfgang; Harms, Klaus; Marsch, Michael; Wollert, René; Dehnicke, Kurt","Die Kristallstrukturen von {Li~3~(12-Krone-4)~2~[HC(CN)~2~]~3~}, {Na(15-Krone-5)-[HC(CN)~2~]} und {Na[N(nBu)~4~][HC(CN)~2~]~2~ · THF}","Chemische Berichte","1992","125","1","87","92","10.1002/cber.19921250114","","","","","","","","","","","","","","","","","","","","","has coordinates","177568","2020-10-21","18:00:00",""
"1100342","10.938","0.001","13.923","0.001","14.477","0.002","101.16","0.01","109.52","0.01","104.29","0.01","1919.53","","","","","","","","","","","","","5","P 1","","1","","","","- C39 H52 B N O9 -","","","2","2","","Reetz, Manfred T.; Niemeyer, Christof M.; Harms, Klaus","Heterotopic Host Molecules for Binding Two Different Guests","Angewandte Chemie, International Edition in English","1991","30","11","1474","1476","10.1002/anie.199114741","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1100343","15.359","0.003","9.994","0.002","20.678","0.004","90","","105.55","0.03","90","","3057.85","","","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C31 H42 B N O8 -","","","4","1","","Reetz, Manfred T.; Niemeyer, Christof M.; Harms, Klaus","Heterotopic Host Molecules for Binding Two Different Guests","Angewandte Chemie, International Edition in English","1991","30","11","1474","1476","10.1002/anie.199114741","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1100344","8.2","0.004","8.916","0.005","11.315","0.004","72.87","0.03","69.01","0.03","74.97","0.04","727.05","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Br2 Li2 O4 -","- C56 H72 Br4 Li4 O8 -","- C56 H72 Br4 Li4 O8 -","1","0.5","","Bosold, Ferdinand; Zulauf, Peter; Marsch, Michael; Harms, Klaus; Lohrenz, John; Boche, Gernot","[3-Bromo-2-lithio-1-phenylsulfonylbenzofuran Diisopropyl Ether]~2~ and 3-Fluoro-2-lithio-1-phenyl-sulfonylbenzene · Pentamethyldiethylenetriamine: Crystal Structures of Compounds with Lithium and Halogen on Neighboring Carbon Atoms","Angewandte Chemie, International Edition in English","1991","30","11","1455","1457","10.1002/anie.199114551","","","","","","","","","","","","","","","","","","","","","has coordinates","177306","2020-10-21","18:00:00",""
"1100345","8.894","0.003","19.972","0.002","13.046","0.004","90","","101.34","0.01","90","","2272.13","","","","","","","","","","","","","7","P 21/n","","14","","","","- C21 H31 F Li N3 O2 S -","","","4","","","Bosold, Ferdinand; Zulauf, Peter; Marsch, Michael; Harms, Klaus; Lohrenz, John; Boche, Gernot","[3-Bromo-2-lithio-1-phenylsulfonylbenzofuran Diisopropyl Ether]~2~ and 3-Fluoro-2-lithio-1-phenyl-sulfonylbenzene · Pentamethyldiethylenetriamine: Crystal Structures of Compounds with Lithium and Halogen on Neighboring Carbon Atoms","Angewandte Chemie, International Edition in English","1991","30","11","1455","1457","10.1002/anie.199114551","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1100346","9.612","0.002","14.335","0.002","9.814","0.002","90","","97.53","0.01","90","","1340.59","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 F6 O6 S2 -","- C8 F6 O6 S2 -","- C32 F24 O24 S8 -","4","1","","Scheuplein, Stefan W.; Harms, Klaus; Brückner, Reinhard; Suffert, Jean","Regiocontrol in Pd(0)-Mediated Couplings of a Bis(enol triflate) with Alkynes ‒ Stereoselective Syntheses of Monocyclic Dienediynes Related to the Neocarzinostatin Chromophore","Chemische Berichte","1992","125","1","271","278","10.1002/cber.19921250143","","","","","","","","","","","","","","","","","","","","","has coordinates","177567","2020-10-21","18:00:00",""
"1100347","9.097","0.001","9.616","0.001","10.958","0.001","95.31","0.01","93.44","0.01","108.19","0.01","902.75","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 O5 W -","- C20 H12 O5 W -","- C40 H24 O10 W2 -","2","1","","Dötz, Karl Heinz; Schäfer, Thomas; Kroll, Friedrich; Harms, Klaus","Alkyne(carbene) Complexes: Stabilization of an Intermediate of Carbene Annelation","Angewandte Chemie, International Edition in English","1992","31","9","1236","1238","10.1002/anie.199212361","","","","","","","","","","","","","","","","","","","","","has coordinates","177006","2020-10-21","18:00:00",""
"1100348","22.077","0.001","12.23","0.001","16.528","0.001","90","","90","","90","","4462.59","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C40 H84 Li4 N8 -","- C42 H95 Li4 N8 -","- C168 H380 Li16 N32 -","4","1","","Boche, Gernot; Langlotz, Ira; Marsch, Michael; Harms, Klaus; Nudelman, Norma E. S.","[Lithium Piperidide-Piperidine]~4~: Crystal Structure of an Oligomeric 1:1 Lithium Amide-Amine Mixed Complex, an Intermediate in the N-Lithiation of Amines","Angewandte Chemie, International Edition in English","1992","31","9","1205","1207","10.1002/anie.199212051","","","","","","","","","","","","","","","","","","","","","has coordinates","176972","2020-10-21","18:00:00",""
"1100349","15.3","0.003","10.13","0.002","19.369","0.004","90","","109.6","0.03","90","","2828.04","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H44 Li O4 Si -","- C28 H43 Li O4 Si -","- C112 H172 Li4 O16 Si4 -","4","1","","Boche, Gernot; Opel, Achim; Marsch, Michael; Harms, Klaus; Hallera, Friederike; Lohrenz, John C. W.; Thümmler, Christina; Koch, Wolfram","α-Oxygen-Substituted Organolithium Compounds and Their Carbenoid Nature: Calculations of the Configurational Stability and of LiCH~2~OH Model Structures, Crystal Structure of Diphenyl(trimethylsilyloxy)methyllithium · 3 THF, and the Stereochemistry of the (Reverse) Brook Rearrangement","Chemische Berichte","1992","125","10","2265","2273","10.1002/cber.19921251015","","","","","","","","","","","","","","","","","","","","","has coordinates","177572","2020-10-21","18:00:00",""
"1100350","19.314","0.003","11.787","0.003","17.641","0.004","90","","99.39","0.02","90","","3962.23","","","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cl3 N Na O9 Os P -","- C38 H44 Cl3 N Na O9 Os P -","- C152 H176 Cl12 N4 Na4 O36 Os4 P4 -","4","1","","Buth, Silke; Harms, Klaus; Dehnicke, Kurt","Synthese und Kristallstruktur des Nitrido-Oxalato-Osmats PPh~4~{Na(15-Krone-5)[OsNCl~3~(C~2~O~4~)]}","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","8","1409","1413","10.1002/zaac.19936190815","","","","","","","","","","","","","","","","","","","","","has coordinates","176955","2020-10-21","18:00:00",""
"1100351","8.456","0.001","17.175","0.001","12.34","0.002","90","","107.67","0.01","90","","1707.61","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Mo N2 O4 -","- C15 H14 Mo N2 O4 -","- C60 H56 Mo4 N8 O16 -","4","1","","Dötz, Karl Heinz; Kroll, Friedrich; Harms, Klaus","Reaktionen von Komplexliganden LVII. Amidinocarben-Chelatkomplexe des Chroms und Molybdäns: Synthese, Struktur und Cycloadditionen mit Alkinen","Journal of Organometallic Chemistry","1993","459","1-2","169","176","10.1016/0022-328x(93)86069-t","","","","","","","","","","","","","","","","","","","","","has coordinates","178079","2020-10-21","18:00:00",""
"1100352","9.095","0.001","10.164","0.001","22.41","0.002","90","","90","","90","","2071.62","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C88 H104 N8 O12 -","4","1","","Reetz, Manfred T.; Kayser, Frank; Harms, Klaus","Cycloaddition reactions of λ-amino α,β-didehydro amino acid esters: a test case for the principle of 1,3-allylic strain","Tetrahedron Letters","1992","33","24","3453","3456","10.1016/s0040-4039(00)92661-3","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100353","11.137","0.002","11.26","0.002","18.646","0.004","90","","90","","90","","2338.26","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H38 N2 O5 -","- C20 H38 N2 O5 -","- C80 H152 N8 O20 -","4","1","","Reetz, Manfred T.; Kanand, Jürgen; Griebenow, Nils; Harms, Klaus","Stereoselective Nucleophilic Addition Reactions of Reactive Pseudopeptides","Angewandte Chemie, International Edition in English","1992","31","12","1626","1629","10.1002/anie.199216261","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100354","12.734","0.006","15.16","0.004","16.54","0.006","90","","106.67","0.02","90","","3058.81","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl3 Li N2 O2 -","- C28 H40 Cl3 Li N2 O2 -","- C112 H160 Cl12 Li4 N8 O8 -","4","1","","Boche, Gernot; Marsch, Michael; Müller, Achim; Harms, Klaus","1-Chloro-2,2-bis(4-chlorophenyl)-1-lithioethene · TMEDA · 2THF: Structure of a Li‒Cl Carbenoid","Angewandte Chemie, International Edition in English","1993","32","7","1032","1033","10.1002/anie.199310321","","","","","","","","","","","","","","","","","","","","","has coordinates","177011","2020-10-21","18:00:00",""
"1100355","10.58","0.001","12.645","0.001","18.342","0.002","80.52","0.01","81.69","0.01","73.59","0.01","2309.27","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C128 H96 O8 -","4","2","","Dötz, Karl Heinz; Schäfer, Thomas; Kroll, Friedrich; Harms, Klaus","Alkyne(carbene) Complexes: Stabilization of an Intermediate of Carbene Annelation","Angewandte Chemie, International Edition in English","1992","31","9","1236","1238","10.1002/anie.199212361","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100356","12.341","0.003","13.003","0.002","11.733","0.003","90","","92.4","0.01","90","","1881.14","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H56 Li2 N4 O6 P2 -","- C68 H112 Li4 N8 O12 P4 -","- C136 H224 Li8 N16 O24 P8 -","2","0.5","","Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Haller, Friederike; Frenking, Gernot; Boche, Gernot","[(C~2~H~5~O)~2~P(O)CHPhLi·N(CH~2~CH~2~)~3~N]~∞~: Festkörperstruktur, Aggregation in THF-Lösung und Modellrechnungen zur Struktur eines Wadsworth-Horner-Emmons-Reagenzes","Chemische Berichte","1991","124","4","861","866","10.1002/cber.19911240428","","","","","","","","","","","","","","","","","","","","","has coordinates","177565","2020-10-21","18:00:00",""
"1100357","11.886","0.001","13.827","0.002","18.591","0.003","90","","90","","90","","3055.39","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H51 Li N3 O2 Si -","- C28 H51 Li N3 O2 Si -","- C112 H204 Li4 N12 O8 Si4 -","4","1","","Marsch, Michael; Harms, Klaus; Zschage, Oliver; Hoppe, Dieter; Boche, Gernot","η^1^-(1S, 2E)-1-(N,N-diisopropylcarbamoyloxy)-3-trimethylsilylallyllithium(—)-Sparteine: Structure of a Chiral, Carbamoyloxy-substituted Allyllithium Compound","Angewandte Chemie, International Edition in English","1991","30","3","321","323","10.1002/anie.199103211","","","","","","","","","","","","","","","","","","","","","has coordinates","177280","2020-10-21","18:00:00",""
"1100358","19.69","0.03","11.788","0.002","19.56","0.02","90","","101.28","0.05","90","","4452.29","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H37 Li N2 Si2 -","- C15 H37 Li N2 Si2 -","- C120 H296 Li8 N16 Si16 -","8","1","","Boche, Gernot; Fraenkel, Gideon; Cabral, Jose; Harms, Klaus; Van Eikema Hommes, Nicolaas J. R.; Lohrenz, John; Marsch, Michael; Schleyer, Paul v. R.","exo,exo-[1,3-Bis(trimethylsilyl)allyl]lithium-N,N,N',N'-tetramethylethylenediamine complex: crystal structure and dynamics in solution","Journal of the American Chemical Society","1992","114","5","1562","1565","10.1021/ja00031a004","","","","","","","","","","","","","","","","","","","","","has coordinates","177987","2020-10-21","18:00:00",""
"1100359","9.216","0.01","17.667","0.01","10.98","0.02","90","","107.65","0.07","90","","1703.6","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H52 Li N3 O2 -","- C37 H52 Li N3 O2 -","- C74 H104 Li2 N6 O4 -","2","1","","Ledig, Burkhard; Marsch, Michael; Harms, Klaus; Boche, Gernot","Lithiodiphenylmethylisocyanide-(—)-sparteinebis(tetrahydrofuran): Crystal Structure of a Lithiated Isocyanide","Angewandte Chemie, International Edition in English","1992","31","1","79","80","10.1002/anie.199200791","","","","","","","","","","","","","","","","","","","","","has coordinates","177284","2020-10-21","18:00:00",""
"1100360","10.228","0.002","20.757","0.004","12.38","0.02","90","","106.05","0.03","90","","2525.86","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H31 B F K O8 -","- C51 H62 B2 F2 K3 O18 -","- C204 H248 B8 F8 K12 O72 -","4","1","","Reetz, Manfred T.; Niemeyer, Christof M.; Harms, Klaus","Crown Ethers with a Lewis Acidic Center: A New Class of Heterotopic Host Molecules","Angewandte Chemie, International Edition in English","1991","30","11","1472","1474","10.1002/anie.199114721","","","","","","","","","","","","","","","","","","","","","has coordinates","177018","2020-10-21","18:00:00",""
"1100361","25.436","0.005","10.255","0.002","14.294","0.003","90","","113.78","0.03","90","","3411.98","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H46 N2 O2 Zn2 -","- C72 H92 N4 O4 Zn4 -","- C288 H368 N16 O16 Zn16 -","4","0.5","","Bolm, Carsten; Schlingloff, Gunther; Harms, Klaus","Catalyzed Enantioselective Alkylation of Aldehydes","Chemische Berichte","1992","125","5","1191","1203","10.1002/cber.19921250529","","","","","","","","","","","","","","","","","","","","","has coordinates","177569","2020-10-21","18:00:00",""
"1100362","17.503","0.002","8.168","0.001","18.165","0.002","90","","95.16","0.01","90","","2586.43","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cl2 N O2 Os P -","- C26 H24 Cl2 N O2 Os P -","- C104 H96 Cl8 N4 O8 Os4 P4 -","4","1","","Buth, Silke; Harms, Klaus; König, Peter; Wočadlo, Sigrid; Weller, Frank; Dehnicke, Kurt","Synthese und Kristallstrukturen der Nitridodiolato-Osmate(VI) PPh~4~[OsNCl~2~(O~2~C~2~H~4~)] und PPh~4~[OsNCl~2~(O~2~C~2~Me~4~)] · 2 THF","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","5","853","858","10.1002/zaac.19936190508","","","","","","","","","","","","","","","","","","","","","has coordinates","176954","2020-10-21","18:00:00",""
"1100363","8.989","0.008","14.051","0.008","15.186","0.011","93.66","0.05","92.89","0.05","92.51","0.04","1909.58","","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H48 Cl2 N O4 Os P -","- C38 H52 Cl2 N O5 Os P -","- C76 H104 Cl4 N2 O10 Os2 P2 -","2","1","","Buth, Silke; Harms, Klaus; König, Peter; Wočadlo, Sigrid; Weller, Frank; Dehnicke, Kurt","Synthese und Kristallstrukturen der Nitridodiolato-Osmate(VI) PPh~4~[OsNCl~2~(O~2~C~2~H~4~)] und PPh~4~[OsNCl~2~(O~2~C~2~Me~4~)] · 2 THF","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","5","853","858","10.1002/zaac.19936190508","","","","","","","","","","","","","","","","","","","","","has coordinates","176954","2020-10-21","18:00:00",""
"1100364","9.229","0.003","13.091","0.002","14.967","0.004","94.37","0.02","100.1","0.02","100.94","0.02","1736.64","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H54 Li2 N4 Si4 -","- C22 H54 Li2 N4 Si4 -","- C44 H108 Li4 N8 Si8 -","2","1","","Boche, Gernot; Langlotz, Ira; Marsch, Michael; Harms, Klaus; Frenking, Gernot","[tert-Butylcyanide · Lithium Bis(trimethylsilyl)amide]2, a Model of the Intermediate RCN. MR' Complex Formed in Reactions of Cyanides RCN with Organometallic Compounds R'M","Angewandte Chemie, International Edition in English","1993","32","8","1171","1173","10.1002/anie.199311711","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100365","14.715","0.001","15.43","0.001","15.029","0.001","90","","90","","90","","3412.37","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H29 N3 O4 -","- C14 H29 N6 O4 -","- C112 H232 N48 O32 -","8","1","","Reetz, Manfred T.; Bingel, Carsten; Harms, Klaus","Structure of carbanions having carbocations as counterions","Journal of the Chemical Society, Chemical Communications","1993","","20","1558","1560","10.1039/c39930001558","","","","","","","","","","","","","","","","","","","","","has coordinates","177464","2020-10-21","18:00:00",""
"1100366","13.098","0.001","7.615","0.001","17.463","0.001","90","","110.06","0.01","90","","1636.11","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cr O5 P -","- C15 Cr O5 P -","- C60 Cr4 O20 P4 -","4","1","","Dötz, K. H.; Tiriliomis, A.; Harms, K.","Phosphahydroquinones and oxaphospholes via carbene annulation and cycloaddition reactions of chromium carbonyl carbene complexes and phosphaalkynes","Tetrahedron","1993","49","25","5577","5597","10.1016/s0040-4020(01)87270-7","","","","","","","","","","","","","","","","","","","","","has coordinates","178050","2020-10-21","18:00:00",""
"1100367","3.758","0.001","11.196","0.001","27.351","0.002","90","","92.95","0.01","90","","1149.26","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C56 H40 N8 O16 -","4","1","","Reetz, Manfred T.; Höger, Sigurd; Harms, Klaus","Proton-Transfer-Dependent Reversible Phase Changes in the 4,4'-Bipyridinium Salt of Squaric Acid","Angewandte Chemie, International Edition in English","1994","33","2","181","183","10.1002/anie.199401811","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100368","3.8","0.001","11.208","0.001","27.447","0.002","90","","92.22","0.01","90","","1168.1","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C56 H40 N8 O16 -","4","1","","Reetz, Manfred T.; Höger, Sigurd; Harms, Klaus","Proton-Transfer-Dependent Reversible Phase Changes in the 4,4'-Bipyridinium Salt of Squaric Acid","Angewandte Chemie, International Edition in English","1994","33","2","181","183","10.1002/anie.199401811","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100369","9.619","0.001","10.679","0.002","12.726","0.004","70.17","0.03","85.83","0.02","70.08","0.01","1154.78","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C56 H40 N8 O16 -","4","2","","Reetz, Manfred T.; Höger, Sigurd; Harms, Klaus","Proton-Transfer-Dependent Reversible Phase Changes in the 4,4'-Bipyridinium Salt of Squaric Acid","Angewandte Chemie, International Edition in English","1994","33","2","181","183","10.1002/anie.199401811","","","","","","","","","","","","","","","","","","","","","has coordinates","177963","2020-10-21","18:00:00",""
"1100370","3.793","0.001","11.175","0.001","27.581","0.004","90","","91.99","0.01","90","","1168.36","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 D N2 O4 -","- C14 H9 D N2 O4 -","- C56 H36 D4 N8 O16 -","4","1","","Reetz, Manfred T.; Höger, Sigurd; Harms, Klaus","Proton-Transfer-Dependent Reversible Phase Changes in the 4,4'-Bipyridinium Salt of Squaric Acid","Angewandte Chemie, International Edition in English","1994","33","2","181","183","10.1002/anie.199401811","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100371","11.825","0.002","21.268","0.008","18.597","0.004","90","","90","","90","","4677.04","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C40 H64 Li2 N2 O13 S2 -","- C82 H138 Li4 N4 O25 S4 -","- C328 H552 Li16 N16 O100 S16 -","4","0.5","","Boche, Gernot; Boie, Christiane; Bosold, Ferdinand; Harms, Klaus; Marsch, Michael","[(N-Lithio-N-mesitylsulfonyloxy-tert-butylcarbamate)~2~·(thf)~3~]: Crystal Structure of a Nitrenoid","Angewandte Chemie, International Edition in English","1994","33","1","115","117","10.1002/anie.199401151","","","","","","","","","","","","","","","","","","","","","has coordinates","177283","2020-10-21","18:00:00",""
"1100372","9.37","0.0001","20.478","0.001","8.103","0.001","90","","110.81","0.01","90","","1453.37","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N O5 S -","- C12 H17 N O5 S -","- C48 H68 N4 O20 S4 -","4","1","","Boche, Gernot; Boie, Christiane; Bosold, Ferdinand; Harms, Klaus; Marsch, Michael","[(N-Lithio-N-mesitylsulfonyloxy-tert-butylcarbamate)~2~·(thf)~3~]: Crystal Structure of a Nitrenoid","Angewandte Chemie, International Edition in English","1994","33","1","115","117","10.1002/anie.199401151","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100373","9.29","0.002","19.368","0.004","17.159","0.003","90","","99.63","0.02","90","","3043.89","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H40 Br2 Mg O4 -","- C30 H40 Br2 Mg O4 -","- C120 H160 Br8 Mg4 O16 -","4","1","","Boche, Gernot; Harms, Klaus; Marsch, Michael; Müller, Achim","9-Bromo-9-[(bromomagnesium)methylene]fluorene–tetrahydrofuran (1/4) structure of a MgBr/Br carbenoid","Journal of the Chemical Society, Chemical Communications","1994","","11","1393","1394","10.1039/c39940001393","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100374","16.01","0.003","9.727","0.002","16.193","0.003","90","","102.11","0.03","90","","2465.61","","","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C25 H25 Fe P5 -","- C49 H49 Fe P9 -","- C196 H196 Fe4 P36 -","4","1","","Elschenbroich, Christoph; Nowotny, Mathias; Behrendt, Andreas; Harms, Klaus; Wocadlo, Sigrid; Pebler, Juergen","Pentakis(η^1^-phosphinine)iron: Synthesis, Structure, and Mode of Formation","Journal of the American Chemical Society","1994","116","14","6217","6219","10.1021/ja00093a022","","","","","","","","","","","","","","","","","","","","","has coordinates","177610","2020-10-21","18:00:00",""
"1100375","9.058","0.001","22.57","0.002","8.392","0.001","90","","101.22","0.01","90","","1682.86","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52 Li2 N6 O4 -","- C52 H104 Li4 N12 O8 -","- C104 H208 Li8 N24 O16 -","2","0.5","","Boche, Gernot; Langlotz, Ira; Marsch, Michael; Harms, Klaus","X-Ray Crystal Structures of the Enolate oftert-Butyl α-Cyanoacetate with Li^+^ or Protonated 1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU-H^+^) as Gegenion. N‒H Hydrogen Bridge from DBU-H^+^ to the Enolate Oxygen Atom","Chemische Berichte","1994","127","10","2059","2064","10.1002/cber.19941271031","","","","","","","","","","","","","","","","","","","","","has coordinates","177574","2020-10-21","18:00:00",""
"1100376","11.687","0.002","12.462","0.001","12.853","0.002","90","","116.23","0.01","90","","1679.19","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 N3 O2 -","- C16 H26 N3 O2 -","- C64 H104 N12 O8 -","4","1","","Boche, Gernot; Langlotz, Ira; Marsch, Michael; Harms, Klaus","X-Ray Crystal Structures of the Enolate oftert-Butyl α-Cyanoacetate with Li^+^ or Protonated 1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU-H^+^) as Gegenion. N‒H Hydrogen Bridge from DBU-H^+^ to the Enolate Oxygen Atom","Chemische Berichte","1994","127","10","2059","2064","10.1002/cber.19941271031","","","","","","","","","","","","","","","","","","","","","has coordinates","177574","2020-10-21","18:00:00",""
"1100377","10.555","0.002","7.983","0.002","14.936","0.003","90","","109.12","0.03","90","","1189.09","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H32 O4 Si -","- C25 H32 O4 Si -","- C50 H64 O8 Si2 -","2","1","","Koert, Ulrich; Stein, Matthias; Harms, Klaus","A Convergent Synthesis of 2,5-trans-Linked Oligo (tetrahydrofuran)s: Potential Building Blocks for a Polyether Helix with Ion Channel Activity","Angewandte Chemie, International Edition in English","1994","33","11","1180","1182","10.1002/anie.199411801","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100378","8.01","0.001","14.74","0.002","22.811","0.002","90","","90","","90","","2693.24","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 I O3 -","- C13 H15 I O3 -","- C104 H120 I8 O24 -","8","1","","Hoffmann, Reinhard W.; Stürmer, Rainer; Harms, Klaus","A phenyl-assisted asymmetric iodolactonisation reaction","Tetrahedron Letters","1994","35","34","6263","6266","10.1016/s0040-4039(00)73407-1","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100379","10.31","0.002","18.718","0.002","23.545","0.004","90","","90","","90","","4543.77","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C208 H224 N16 O16 -","8","2","","Reetz, Manfred T.; Röhrig, Dirk; Harms, Klaus; Frenking, Gernot","Stereoselective synthesis of β-amino hydroxylamines","Tetrahedron Letters","1994","35","47","8765","8768","10.1016/s0040-4039(00)78492-9","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100380","33.466","0.004","6.977","0.001","9.89","0.002","90","","96.73","0.01","90","","2293.33","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H30 N2 -","- C27 H30 N2 -","- C108 H120 N8 -","4","1","","Reetz, Manfred T.; Kayser, Frank; Harms, Klaus","Stereoselective synthesis of β-amino nitriles and 1,3-diamines","Tetrahedron Letters","1994","35","47","8769","8772","10.1016/s0040-4039(00)78493-0","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100381","8.951","0.001","18.325","0.001","12.788","0.001","90","","93.53","0.005","90","","2093.6","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 Li O3 -","- C22 H33 Li O3 -","- C88 H132 Li4 O12 -","4","1","","Hoppe, Inga; Marsch, Michael; Harms, Klaus; Boche, Gernot; Hoppe, Dieter","Generation of Enantiomerically Enriched Lithium Indenides by Means of(–)-Sparteine: Structure, Stereoselective Substitution, and Solvent Effects","Angewandte Chemie, International Edition in English","1995","34","19","2158","2160","10.1002/anie.199521581","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100382","10.966","0.0007","11.597","0.0005","19.015","0.0009","90","","90","","90","","2418.19","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 Li N2 -","- C28 H41 Li N2 -","- C112 H164 Li4 N8 -","4","1","","Hoppe, Inga; Marsch, Michael; Harms, Klaus; Boche, Gernot; Hoppe, Dieter","Generation of Enantiomerically Enriched Lithium Indenides by Means of(–)-Sparteine: Structure, Stereoselective Substitution, and Solvent Effects","Angewandte Chemie, International Edition in English","1995","34","19","2158","2160","10.1002/anie.199521581","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100383","9.631","0.002","17.544","0.001","15.187","0.004","90","","90.48","0.01","90","","2566","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H37 Al Cl Li O7 -","- C28 H43 Al Cl Li O9 -","- C112 H172 Al4 Cl4 Li4 O36 -","4","1","","Reetz, Manfred T.; Johnson, Barry M.; Harms, Klaus","A novel receptor for ditopic binding of alkali metal halides","Tetrahedron Letters","1994","35","16","2525","2528","10.1016/s0040-4039(00)77161-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176936","2020-10-21","18:00:00",""
"1100384","17.759","0.001","7.643","0.001","23.417","0.002","90","","101.84","0.01","90","","3110.81","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Br2 Cl N2 O4 P -","- C32 H28 Br2 Cl N2 O4 P -","- C128 H112 Br8 Cl4 N8 O16 P4 -","4","1","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt; Fenske, Dieter","μ~2~-Halogenokomplexe von N-Bromsuccinimid und N-Bromphthalimid. Die Kristallstrukturen von PPh~4~[X(N-Bromsuccinimid)~2~] und von PPh~4~[X(N-Bromphthalimid)~2~] mit X = CI und Br / μ~2~-Halogeno Complexes of N-Bromosuccinimide and N-Bromophthalimide. The Crystal Structures of PPh~4~[X(N-Bromosuccinimide)~2~] and PPh~4~[X(N-Brom ophthalimide)~2~] with X = Cl and Br","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1994","49","5","593","601","10.1515/znb-1994-0504","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100385","17.769","0.009","7.622","0.003","23.31","0.01","90","","103.02","0.03","90","","3075.84","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Br3 N2 O4 P -","- C32 H28 Br3 N2 O4 P -","- C128 H112 Br12 N8 O16 P4 -","4","1","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt; Fenske, Dieter","μ~2~-Halogenokomplexe von N-Bromsuccinimid und N-Bromphthalimid. Die Kristallstrukturen von PPh~4~[X(N-Bromsuccinimid)~2~] und von PPh~4~[X(N-Bromphthalimid)~2~] mit X = CI und Br / μ~2~-Halogeno Complexes of N-Bromosuccinimide and N-Bromophthalimide. The Crystal Structures of PPh~4~[X(N-Bromosuccinimide)~2~] and PPh~4~[X(N-Brom ophthalimide)~2~] with X = Cl and Br","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1994","49","5","593","601","10.1515/znb-1994-0504","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100386","9.185","0.002","15.15","0.003","25.844","0.005","88.22","0.03","83.2","0.03","85.1","0.03","3557.12","","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H28 Br2 Cl N2 O4 P -","- C40 H0.5 Br2 Cl N2 O4 P -","- C160 H2 Br8 Cl4 N8 O16 P4 -","4","2","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt; Fenske, Dieter","μ~2~-Halogenokomplexe von N-Bromsuccinimid und N-Bromphthalimid. Die Kristallstrukturen von PPh~4~[X(N-Bromsuccinimid)~2~] und von PPh~4~[X(N-Bromphthalimid)~2~] mit X = CI und Br / μ~2~-Halogeno Complexes of N-Bromosuccinimide and N-Bromophthalimide. The Crystal Structures of PPh~4~[X(N-Bromosuccinimide)~2~] and PPh~4~[X(N-Brom ophthalimide)~2~] with X = Cl and Br","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1994","49","5","593","601","10.1515/znb-1994-0504","","","","","","","","","","","","","","","","","","","","","has coordinates","177082","2020-10-21","18:00:00",""
"1100387","11.202","0.002","13.086","0.003","13.432","0.003","105.1","0.03","104.16","0.03","92.99","0.03","1829.07","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Br3 N2 O4 P -","- C40 H28 Br3 N2 O4 P -","- C80 H56 Br6 N4 O8 P2 -","2","1","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt; Fenske, Dieter","μ~2~-Halogenokomplexe von N-Bromsuccinimid und N-Bromphthalimid. Die Kristallstrukturen von PPh~4~[X(N-Bromsuccinimid)~2~] und von PPh~4~[X(N-Bromphthalimid)~2~] mit X = CI und Br / μ~2~-Halogeno Complexes of N-Bromosuccinimide and N-Bromophthalimide. The Crystal Structures of PPh~4~[X(N-Bromosuccinimide)~2~] and PPh~4~[X(N-Brom ophthalimide)~2~] with X = Cl and Br","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1994","49","5","593","601","10.1515/znb-1994-0504","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100388","5.728","0.001","6.275","0.001","20.725","0.002","90","","90","","90","","744.92","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 Cl N O2 -","- C8 H4 Cl N O2 -","- C32 H16 Cl4 N4 O8 -","4","1","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt; Magull, Jörg","μ~2~-Chlorokomplexe von Succinimid und N-Chlorsuccinimid. Die Kristallstrukturen von PPh~4~[Cl(Succinimid)~2~], PPh~4~[[Cl(N-Cl-Succinimid)~2~] und N-Chlorphthalimid / μ~2~-Chloro Complexes of Succinimide and N-Chlorosuccinimide. The Crystal Structures of PPh~4~[Cl(Succinimide)~2~], PPh~4~[Cl(N-Cl-Succinimide)~2~] and N-Chlorophthalimide}","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1994","49","4","506","512","10.1515/znb-1994-0413","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100389","7.967","0.001","24.71","0.003","14.722","0.003","90","","90","","90","","2898.24","","","","","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C32 H30 Cl N2 O4 P -","- C60 H58 Cl N2 O8 P -","- C240 H232 Cl4 N8 O32 P4 -","4","0.5","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt; Magull, Jörg","μ~2~-Chlorokomplexe von Succinimid und N-Chlorsuccinimid. Die Kristallstrukturen von PPh~4~[Cl(Succinimid)~2~], PPh~4~[[Cl(N-Cl-Succinimid)~2~] und N-Chlorphthalimid / μ~2~-Chloro Complexes of Succinimide and N-Chlorosuccinimide. The Crystal Structures of PPh~4~[Cl(Succinimide)~2~], PPh~4~[Cl(N-Cl-Succinimide)~2~] and N-Chlorophthalimide}","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1994","49","4","506","512","10.1515/znb-1994-0413","","","","","","","","","","","","","","","","","","","","","has coordinates","177083","2020-10-21","18:00:00",""
"1100390","17.61","0.02","7.534","0.007","23.18","0.02","90","","100.98","0.07","90","","3019.08","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cl3 N2 O4 P -","- C32 H28 Cl3 N2 O4 P -","- C128 H112 Cl12 N8 O16 P4 -","4","1","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt; Magull, Jörg","μ~2~-Chlorokomplexe von Succinimid und N-Chlorsuccinimid. Die Kristallstrukturen von PPh~4~[Cl(Succinimid)~2~], PPh~4~[[Cl(N-Cl-Succinimid)~2~] und N-Chlorphthalimid / μ~2~-Chloro Complexes of Succinimide and N-Chlorosuccinimide. The Crystal Structures of PPh~4~[Cl(Succinimide)~2~], PPh~4~[Cl(N-Cl-Succinimide)~2~] and N-Chlorophthalimide}","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1994","49","4","506","512","10.1515/znb-1994-0413","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100391","12.026","0.001","12.242","0.001","17.667","0.001","90","","90","","90","","2600.98","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H14 Cl2 N P Ti -","- C13 H19 Cl2 N P Ti -","- C104 H152 Cl16 N8 P8 Ti8 -","8","1","","Rübenstahl, T.; Weller, F.; Harms, K.; Dehnicke, K.; Fenske, D.; Baum, G.","Phosphaniminato-Komplexe des Titans. Synthese und Kristallstrukturen von CpTiCl2(NPMe~3~), [TiCl~3~(NPMe~3~)]~2~, [Ti~2~Cl~5~(NPMe~2~Ph)~3~] und [Ti~3~Cl~6~(NPMe~3~)~5~][BPh~4~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","10","1741","1749","10.1002/zaac.19946201014","","","","","","","","","","","","","","","","","","","","","has coordinates","177941","2020-10-21","18:00:00",""
"1100392","11.405","0.002","11.122","0.003","15.894","0.003","90","","90","","90","","2016.1","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H18 Cl6 N2 P2 Ti2 -","- C12 H36 Cl12 N4 P4 Ti4 -","- C48 H144 Cl48 N16 P16 Ti16 -","4","0.5","","Rübenstahl, T.; Weller, F.; Harms, K.; Dehnicke, K.; Fenske, D.; Baum, G.","Phosphaniminato-Komplexe des Titans. Synthese und Kristallstrukturen von CpTiCl2(NPMe~3~), [TiCl~3~(NPMe~3~)]~2~, [Ti~2~Cl~5~(NPMe~2~Ph)~3~] und [Ti~3~Cl~6~(NPMe~3~)~5~][BPh~4~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","10","1741","1749","10.1002/zaac.19946201014","","","","","","","","","","","","","","","","","","","","","has coordinates","177941","2020-10-21","18:00:00",""
"1100393","12.21","0.006","14.075","0.004","21.393","0.006","90","","90","","90","","3676.51","","","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H35 Cl7 N3 P3 Ti2 -","- C25 H33 Cl8 N3 P3 Ti2 -","- C100 H132 Cl32 N12 P12 Ti8 -","4","1","","Rübenstahl, T.; Weller, F.; Harms, K.; Dehnicke, K.; Fenske, D.; Baum, G.","Phosphaniminato-Komplexe des Titans. Synthese und Kristallstrukturen von CpTiCl2(NPMe~3~), [TiCl~3~(NPMe~3~)]~2~, [Ti~2~Cl~5~(NPMe~2~Ph)~3~] und [Ti~3~Cl~6~(NPMe~3~)~5~][BPh~4~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","10","1741","1749","10.1002/zaac.19946201014","","","","","","","","","","","","","","","","","","","","","has coordinates","177941","2020-10-21","18:00:00",""
"1100394","14.952","0.002","23.354","0.002","15.558","0.002","90","","93.28","0.01","90","","5423.78","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H65 B Cl6 N5 P5 Ti3 -","- C39 H64 B Cl6 N5 P5 Ti3 -","- C156 H256 B4 Cl24 N20 P20 Ti12 -","4","1","","Rübenstahl, T.; Weller, F.; Harms, K.; Dehnicke, K.; Fenske, D.; Baum, G.","Phosphaniminato-Komplexe des Titans. Synthese und Kristallstrukturen von CpTiCl2(NPMe~3~), [TiCl~3~(NPMe~3~)]~2~, [Ti~2~Cl~5~(NPMe~2~Ph)~3~] und [Ti~3~Cl~6~(NPMe~3~)~5~][BPh~4~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","10","1741","1749","10.1002/zaac.19946201014","","","","","","","","","","","","","","","","","","","","","has coordinates","177941","2020-10-21","18:00:00",""
"1100395","23.356","0.005","16.078","0.003","15.402","0.003","90","","101.92","0.03","90","","5659.01","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C68 H160 Li8 N18 O7 Si10 -","- C336 H928 Li24 N52 O24 Si64 -","- C672 H1856 Li48 N104 O48 Si128 -","2","0.25","","Boche, Gernot; Harms, Klaus; Marsch, Michael; Schubert, Frank","{6 Lithio(trimethylsilyl)diazomethane · 2 Lithio[4,5-bis(trimethylsilyl)triazene] · 7 Diethyl Ether}: The First X-Ray Structure Analysis of a Lithiated Diazoalkane","Chemische Berichte","1994","127","11","2193","2195","10.1002/cber.1491271118","","","","","","","","","","","","","","","","","","","","","has coordinates","177575","2020-10-21","18:00:00",""
"1100396","14.171","0.003","8.407","0.001","13.671","0.003","90","","109.44","0.02","90","","1535.85","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cr Mn2 O4 P2 -","- C64 H72 Cr Mn4 O8 P4 -","- C128 H144 Cr2 Mn8 O16 P8 -","2","0.5","","Elschenbroich, Christoph; Isenburg, Thomas; Metz, Bernhard; Behrendt, Andreas; Harms, Klaus","Metal π complexes of benzene derivatives: XLIII1. Intramolecular interactions between bis(benzene) chromium and cymantrene units in di- and tri-nuclear species containing PMe~2~ spacers, as studied by CV and EPR","Journal of Organometallic Chemistry","1994","481","2","153","165","10.1016/0022-328x(94)85020-8","","","","","","","","","","","","","","","","","","","","","has coordinates","178080","2020-10-21","18:00:00",""
"1100397","38.401","0.008","38.401","0.008","8.255","0.003","90","","90","","120","","10542.2","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C23.48 H30.12 Cr Mn O P2 -","- C40 H43 Cr Mn O P2 -","- C720 H774 Cr18 Mn18 O18 P36 -","18","1","","Elschenbroich, Christoph; Isenburg, Thomas; Metz, Bernhard; Behrendt, Andreas; Harms, Klaus","Metal π complexes of benzene derivatives: XLIII1. Intramolecular interactions between bis(benzene) chromium and cymantrene units in di- and tri-nuclear species containing PMe~2~ spacers, as studied by CV and EPR","Journal of Organometallic Chemistry","1994","481","2","153","165","10.1016/0022-328x(94)85020-8","","","","","","","","","","","","","","","","","","","","","has coordinates","178080","2020-10-21","18:00:00",""
"1100398","7.345","0.001","8.594","0.001","10.673","0.001","101.07","0.01","104.56","0.01","113.69","0.01","563.55","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H36 As2 -","- C44 H72 As4 -","- C44 H72 As4 -","1","0.5","","Li, X.-W.; Lorberth, J.; Harms, K.","Asymmetric diarsines: Synthesis of dimeric pentamethylcyclopentadienylchloroarsine, dimeric pentamethylcyclopentadienyl(methyl)arsine and the crystal structure of dimeric pentamethylcyclopentadienyl(methyl)arsine","Journal of Organometallic Chemistry","1994","483","1-2","229","233","10.1016/0022-328x(94)87168-x","","","","","","","","","","","","","","","","","","","","","has coordinates","178081","2020-10-21","18:00:00",""
"1100399","12.265","","14.544","","32.444","","90","","90","","90","","5787.43","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H40 Li2 N2 O4 S2 -","- C22 H40 Li2 N2 O4 S2 -","- C176 H320 Li16 N16 O32 S16 -","8","1","","Boche, Gernot; Hilf, Christof; Harms, Klaus; Marsch, Michael; Lohrenz, John C. W.","Crystal Structure of the Dimeric(4-tert-Butylthiazolato)(glyme)lithium: Carbene Character of a Formyl Anion Equivalent","Angewandte Chemie, International Edition in English","1995","34","4","487","489","10.1002/anie.199504871","","","","","","","","","","","","","","","","","","","","","has coordinates","177009","2020-10-21","18:00:00",""
"1100400","11.394","","8.767","","13.998","","90","","110.08","","90","","1313.28","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 Cl N O4 -","- C11 H16 Cl N O8 -","- C44 H64 Cl4 N4 O32 -","4","2","","Reichardt, Christian; Harms, Klaus; Kinzel, Manuela; Schäfer, Gerhard; Stein, Jörg; Wočadlo, Sigrid","Chiral polymethine dyes, IV. Synthesis, absolute configuration, spectroscopic and chiroptical properties of chiral tri- and pentamethinium cyanine dyes with 1,2,3,4-tetrahydro-6-methylquinolyl end groups","Liebigs Annalen","1995","1995","2","317","327","10.1002/jlac.199519950240","","","","","","","","","","","","","","","","","","","","","has coordinates","177964","2020-10-21","18:00:00",""
"1100401","5.429","","8.437","","27.388","","90","","94.35","","90","","1250.88","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 Br N2 O -","- C27 H35 Br N2 O -","- C54 H70 Br2 N4 O2 -","2","1","","Reichardt, Christian; Harms, Klaus; Kinzel, Manuela; Schäfer, Gerhard; Stein, Jörg; Wočadlo, Sigrid","Chiral polymethine dyes, IV. Synthesis, absolute configuration, spectroscopic and chiroptical properties of chiral tri- and pentamethinium cyanine dyes with 1,2,3,4-tetrahydro-6-methylquinolyl end groups","Liebigs Annalen","1995","1995","2","317","327","10.1002/jlac.199519950240","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100402","22.789","","8.161","","9.039","","90","","90","","90","","1681.08","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C39 H57 B F4 N2 -","- C77 H85 B F12 N4 -","- C154 H170 B2 F24 N8 -","2","0.5","","Reichardt, Christian; Budnik, Ulrich; Harms, Klaus; Schäfer, Gerhard; Stein, Jörg","Chiral polymethine dyes, V. syntheses, absolute configuration, spectroscopic, and chiroptical properties of chiral dinuclear tri- and pentamethinium as well as trinuclear [2.2.2]heptamethinediium cyanine dyes with 3-sec-butyl-1,3-dimethylindolyl end groups","Liebigs Annalen","1995","1995","2","329","340","10.1002/jlac.199519950241","","","","","","","","","","","","","","","","","","","","","has coordinates","177965","2020-10-21","18:00:00",""
"1100403","7.601","0.002","17.345","0.003","19.01","0.006","90","","90","","90","","2506.27","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 Li O2 -","- C29 H35 Li O2 -","- C116 H140 Li4 O8 -","4","1","","Dem'yanov, Piotr; Boche, Gernot; Marsch, Michael; Harms, Klaus; Fyodorova, Galina; Petrosyan, Valery","Crystal Structure of η^3^-lithio-1,3,3-triphenylpropyne-(diethyl ether)~2~ and [1-lithio-1-(2-methoxyphenyl)-3,3-diphenylallene‒diethyl ether]~2~: Propargyl- versus allenyl-type structures","Liebigs Annalen","1995","1995","3","457","460","10.1002/jlac.199519950361","","","","","","","","","","","","","","","","","","","","","has coordinates","177966","2020-10-21","18:00:00",""
"1100404","11.05","0.005","11.561","0.005","19.302","0.009","96.94","0.03","93","0.03","115.58","0.02","2192.74","","","","","","","","","","","","","4","P 1","P 1","1","","","","- C26 H27 Li O2 -","- C13 H13.5 Li0.5 O -","- C52 H54 Li2 O4 -","4","4","","Dem'yanov, Piotr; Boche, Gernot; Marsch, Michael; Harms, Klaus; Fyodorova, Galina; Petrosyan, Valery","Crystal Structure of η^3^-lithio-1,3,3-triphenylpropyne-(diethyl ether)~2~ and [1-lithio-1-(2-methoxyphenyl)-3,3-diphenylallene‒diethyl ether]~2~: Propargyl- versus allenyl-type structures","Liebigs Annalen","1995","1995","3","457","460","10.1002/jlac.199519950361","","","","","","","","","","","","","","","","","","","","","has coordinates","177966","2020-10-21","18:00:00",""
"1100405","8.087","0.002","15.071","0.003","12.261","0.002","90","","108.45","0.03","90","","1417.55","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 As Nb -","- C14 H22 As Nb -","- C56 H88 As4 Nb4 -","4","1","","Nikonov, Georgii I.; Lorberth, Jorg; Harms, Klaus; Lemenovskii, Dmitry A.","The First Arsenido-Substituted Niobocene Derivative","Inorganic Chemistry","1995","34","9","2461","2463","10.1021/ic00113a030","","","","","","","","","","","","","","","","","","","","","has coordinates","177995","2020-10-21","18:00:00",""
"1100406","15.107","0.002","18.628","0.003","9.889","0.001","90","","90","","90","","2782.9","","","","","","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C6 H18 Cl I N P Si -","- C6 H18 Cl I N P Si -","- C48 H144 Cl8 I8 N8 P8 Si8 -","8","1","","Grebe, J.; Harms, K.; Weller, F.; Dehnicke, K.","Reaktionen silylierter Phosphanimine mit Iodmonochlorid und Iodtrichlorid. Die Kristallstrukturen von [Me~3~SiNPMe~3~ · ICl], [Ph~3~PNCl · ICl] und [Me~3~PN(H)PMe~3~] [ICl~2~]~2~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","9","1489","1495","10.1002/zaac.19956210909","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100407","15.228","0.002","14.083","0.001","8.658","0.001","90","","90","","90","","1856.76","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H15 Cl2 I N P -","- C18 H15 Cl2 I N P -","- C72 H60 Cl8 I4 N4 P4 -","4","1","","Grebe, J.; Harms, K.; Weller, F.; Dehnicke, K.","Reaktionen silylierter Phosphanimine mit Iodmonochlorid und Iodtrichlorid. Die Kristallstrukturen von [Me~3~SiNPMe~3~ · ICl], [Ph~3~PNCl · ICl] und [Me~3~PN(H)PMe~3~] [ICl~2~]~2~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","9","1489","1495","10.1002/zaac.19956210909","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100408","12.231","0.001","10.902","0.001","14.828","0.002","90","","112.21","0.01","90","","1830.5","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H19 Cl4 I2 N P2 -","- C6 H19 Cl4 I2 N P2 -","- C24 H76 Cl16 I8 N4 P8 -","4","1","","Grebe, J.; Harms, K.; Weller, F.; Dehnicke, K.","Reaktionen silylierter Phosphanimine mit Iodmonochlorid und Iodtrichlorid. Die Kristallstrukturen von [Me~3~SiNPMe~3~ · ICl], [Ph~3~PNCl · ICl] und [Me~3~PN(H)PMe~3~] [ICl~2~]~2~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","9","1489","1495","10.1002/zaac.19956210909","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100409","12.614","0.001","21.611","0.001","22.789","0.001","90","","90","","90","","6212.31","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C76 H64 O4 P4 Pd -","- C76 H64 O4 P4 Pd -","- C304 H256 O16 P16 Pd4 -","4","1","","Bolm, Carsten; Kaufmann, Daniel; Gessler, Simon; Harms, Klaus","Crystal structure of a new chiral Pd(0) / diphosphine complex and its use in enantioselective allylic alkylations","Journal of Organometallic Chemistry","1995","502","1-2","47","52","10.1016/0022-328x(95)05687-k","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100410","10.474","0.002","10.68","0.001","14.424","0.002","90.36","0.01","110.34","0.01","113.32","0.01","1369.77","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Co3 Cr O7 P2 -","- C25 H25 Co3 Cr O7 P2 -","- C50 H50 Co6 Cr2 O14 P4 -","2","1","","Elschenbioich, Christoph; Isenburg, Thomas; Behrendt, Andreas; Frenzen, Gerlinde; Harms, Klaus","Metal π-complexes of benzene derivatives XLVIII. Dimethylphosphano derivatives of bis(benzene) chromium as monodentate and chelating ligands at μ-ethylidyne-nona(carbonyl)-tri(cobalt). Synthesis via ETC-autocatalysis, crystal structure determination and redox behavior of [(Me~2~P-η^6^-C~6~H~5~)(η^6^-C~6~H~6~)Cr[(μ-MeC)Co~3~(CO)~8~], [(Me~2~P-η^6^-C~6~H~5~)~2~Cr][(μ-MeC) Co~3~(CO)~8~]~2~ and [(Me~2~P-η^6^-C~6~H~5~)~2~Cr][μ,-MeC)Co~3~(CO)~7~]","Journal of Organometallic Chemistry","1995","501","1-2","129","144","10.1016/0022-328x(95)05617-x","","","","","","","","","","","","","","","","","","","","","has coordinates","178083","2020-10-21","18:00:00",""
"1100411","8.625","0.004","10.057","0.005","12.827","0.006","106.54","0.03","94.86","0.03","93.52","0.04","1058.49","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Co6 Cr O16 P2 -","- C36 H28 Co6 Cr O16 P2 -","- C36 H28 Co6 Cr O16 P2 -","1","0.5","","Elschenbioich, Christoph; Isenburg, Thomas; Behrendt, Andreas; Frenzen, Gerlinde; Harms, Klaus","Metal π-complexes of benzene derivatives XLVIII. Dimethylphosphano derivatives of bis(benzene) chromium as monodentate and chelating ligands at μ-ethylidyne-nona(carbonyl)-tri(cobalt). Synthesis via ETC-autocatalysis, crystal structure determination and redox behavior of [(Me~2~P-η^6^-C~6~H~5~)(η^6^-C~6~H~6~)Cr[(μ-MeC)Co~3~(CO)~8~], [(Me~2~P-η^6^-C~6~H~5~)~2~Cr][(μ-MeC) Co~3~(CO)~8~]~2~ and [(Me~2~P-η^6^-C~6~H~5~)~2~Cr][μ,-MeC)Co~3~(CO)~7~]","Journal of Organometallic Chemistry","1995","501","1-2","129","144","10.1016/0022-328x(95)05617-x","","","","","","","","","","","","","","","","","","","","","has coordinates","178083","2020-10-21","18:00:00",""
"1100412","13.057","0.001","13.057","0.001","13.057","0.001","90","","90","","90","","2226.03","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C12 H36 In N Sn3 -","- C12 H36 In N Sn3 -","- C48 H144 In4 N4 Sn12 -","4","0.333333","","Hillwig, Ralf; Harms, Klaus; Dehnicke, Kurt","Zur Chemie des Tris(trimethylstannyl) amins. Die Kristallstrukturen von [Me~3~In‒N(SnMe~3~)~3~] and [RClln‒N(SnMe~3~)~2~]~2~ mit R=Methyl und Ethyl","Journal of Organometallic Chemistry","1995","501","1-2","327","332","10.1016/0022-328x(95)05706-u","","","","","","","","","","","","","","","","","","","","","has coordinates","178082","2020-10-21","18:00:00",""
"1100413","10.104","0.002","9.769","0.002","15.603","0.004","90","","94.28","0.02","90","","1535.81","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H42 Cl2 In2 N2 Sn4 -","- C28 H84 Cl4 In4 N4 Sn8 -","- C56 H168 Cl8 In8 N8 Sn16 -","2","0.5","","Hillwig, Ralf; Harms, Klaus; Dehnicke, Kurt","Zur Chemie des Tris(trimethylstannyl) amins. Die Kristallstrukturen von [Me~3~In‒N(SnMe~3~)~3~] and [RClln‒N(SnMe~3~)~2~]~2~ mit R=Methyl und Ethyl","Journal of Organometallic Chemistry","1995","501","1-2","327","332","10.1016/0022-328x(95)05706-u","","","","","","","","","","","","","","","","","","","","","has coordinates","178082","2020-10-21","18:00:00",""
"1100414","11.262","0.001","9.931","0.002","14.603","0.001","90","","94.71","0.01","90","","1627.73","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H46 Cl2 In2 N2 Sn4 -","- C32 H92 Cl4 In4 N4 Sn8 -","- C64 H184 Cl8 In8 N8 Sn16 -","2","0.5","","Hillwig, Ralf; Harms, Klaus; Dehnicke, Kurt","Zur Chemie des Tris(trimethylstannyl) amins. Die Kristallstrukturen von [Me~3~In‒N(SnMe~3~)~3~] and [RClln‒N(SnMe~3~)~2~]~2~ mit R=Methyl und Ethyl","Journal of Organometallic Chemistry","1995","501","1-2","327","332","10.1016/0022-328x(95)05706-u","","","","","","","","","","","","","","","","","","","","","has coordinates","178082","2020-10-21","18:00:00",""
"1100415","16.404","0.001","19.308","0.001","7.53","0.001","90","","98","0.01","90","","2361.75","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 V Zr -","- C60 H72 V Zr -","- C240 H288 V4 Zr4 -","4","0.5","","Elschenbroich, Christoph; Schmidt, Eckhardt; Metz, Bernhard; Harms, Klaus","Metal π complexes of benzene derivatives. 47. Zircona[1]metallocyclophanes: synthesis, properties, and structure of (tBu-η^5^-C~5~H~4~)~2~Zr(η^1^-1,η^1^-1')(η^6^-C~6~H~5~)~2~V and its chromium analog","Organometallics","1995","14","9","4043","4045","10.1021/om00009a005","","","","","","","","","","","","","","","","","","","","","has coordinates","177958","2020-10-21","18:00:00",""
"1100416","9.109","0.001","9.436","0.001","19.077","0.001","90","","90","","90","","1639.72","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O -","- C17 H26 N2 O -","- C68 H104 N8 O4 -","4","1","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100417","9.838","0.001","8.374","0.001","11.279","0.001","90","","108.24","0.01","90","","882.51","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O -","- C20 H24 N2 O -","- C40 H48 N4 O2 -","2","1","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100418","12.78","0.004","13.9","0.003","16.427","0.005","90","","90","","90","","2918.13","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 Cl2 O6 P2 Sn -","- C23 H36 Cl2 O7 P2 Sn2 -","- C92 H144 Cl8 O28 P8 Sn8 -","4","1","","Grigoriev, E. V.; Yashina, N. S.; Prischenko, A. A.; Livantsov, M. V.; Petrosyan, V. S.; Massa, W.; Harms, K.; Wocadlo, S.; Pellerito, L.","Organotin(IV) complexes with tetraethyl ethylene- and propylene-diphosphonates","Applied Organometallic Chemistry","1995","9","1","11","22","10.1002/aoc.590090104","","","","","","","","","","","","","","","","","","","","","has coordinates","177942","2020-10-21","18:00:00",""
"1100419","11.5376","0.0002","13.2343","0.0002","14.991","0.0001","80.099","0.001","67.62","0.001","89.063","0.001","2082.04","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H64 As4 N4 -","- C80 H128 As8 N8 -","- C160 H256 As16 N16 -","2","1","","Avtomonov, Evgeni V.; Megges, Klaus; Li, Xiaowang; Lorberth, Jörg; Wocadlo, Sigrid; Massa, Werner; Harms, Klaus; Churakov, Andrei V.; Howard, Judith A. K","Syntheses and structures of cyclopentadienyl arsenic compounds II. Pentamethyl- and tetraisopropylcyclopentadienyl arsenic amido derivatives","Journal of Organometallic Chemistry","1997","544","1","79","89","10.1016/s0022-328x(97)00328-8","","","","","","","","","","","","","","","","","","","","","has coordinates","178085","2020-10-21","18:00:00",""
"1100420","8.4826","0.0001","18.0319","0.0003","15.56","0.0001","90","","101.297","0.001","90","","2333.9","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 As2 N2 -","- C32 H51 As2 N2 -","- C128 H204 As8 N8 -","4","1","","Avtomonov, Evgeni V.; Megges, Klaus; Li, Xiaowang; Lorberth, Jörg; Wocadlo, Sigrid; Massa, Werner; Harms, Klaus; Churakov, Andrei V.; Howard, Judith A. K","Syntheses and structures of cyclopentadienyl arsenic compounds II. Pentamethyl- and tetraisopropylcyclopentadienyl arsenic amido derivatives","Journal of Organometallic Chemistry","1997","544","1","79","89","10.1016/s0022-328x(97)00328-8","","","","","","","","","","","","","","","","","","","","","has coordinates","178085","2020-10-21","18:00:00",""
"1100421","8.5618","0.0008","8.7905","0.0006","13.368","0.001","100.096","0.007","94.772","0.007","109.57","0.007","922.32","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H64 As2 N2 -","- C72 H128 As4 N4 -","- C72 H128 As4 N4 -","1","0.5","","Avtomonov, Evgeni V.; Megges, Klaus; Li, Xiaowang; Lorberth, Jörg; Wocadlo, Sigrid; Massa, Werner; Harms, Klaus; Churakov, Andrei V.; Howard, Judith A. K","Syntheses and structures of cyclopentadienyl arsenic compounds II. Pentamethyl- and tetraisopropylcyclopentadienyl arsenic amido derivatives","Journal of Organometallic Chemistry","1997","544","1","79","89","10.1016/s0022-328x(97)00328-8","","","","","","","","","","","","","","","","","","","","","has coordinates","178085","2020-10-21","18:00:00",""
"1100422","6.466","0.001","17.319","0.003","14.069","0.003","90","","93.34","0.03","90","","1572.84","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 As Cl N -","- C14 H25 As Cl N -","- C56 H100 As4 Cl4 N4 -","4","1","","Avtomonov, Evgeni V.; Megges, Klaus; Li, Xiaowang; Lorberth, Jörg; Wocadlo, Sigrid; Massa, Werner; Harms, Klaus; Churakov, Andrei V.; Howard, Judith A. K","Syntheses and structures of cyclopentadienyl arsenic compounds II. Pentamethyl- and tetraisopropylcyclopentadienyl arsenic amido derivatives","Journal of Organometallic Chemistry","1997","544","1","79","89","10.1016/s0022-328x(97)00328-8","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100423","8.69","0.002","19.864","0.004","12.737","0.002","90","","104.25","0.01","90","","2130.99","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H33 As Cl N Si2 -","- C16 H33 As Cl N Si2 -","- C64 H132 As4 Cl4 N4 Si8 -","4","1","","Avtomonov, Evgeni V.; Megges, Klaus; Li, Xiaowang; Lorberth, Jörg; Wocadlo, Sigrid; Massa, Werner; Harms, Klaus; Churakov, Andrei V.; Howard, Judith A. K","Syntheses and structures of cyclopentadienyl arsenic compounds II. Pentamethyl- and tetraisopropylcyclopentadienyl arsenic amido derivatives","Journal of Organometallic Chemistry","1997","544","1","79","89","10.1016/s0022-328x(97)00328-8","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100424","8.724","0.003","11.463","0.001","14.777","0.002","108.12","","103.99","","99.47","","1315.96","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 B Cr O3 -","- C30 H33 B Cr O3 -","- C60 H66 B2 Cr2 O6 -","2","1","","Elschenbroich, Christoph; Kühlkamp, Peter; Behrendt, Andreas; Harms, Klaus","Metall-π-Komplexe von Benzolderivaten, 49. Halbsandwichkomplexe des Trimesitylborans Mes~3~B: Darstellung und Struktur von Mes~2~B[(η^6^-Mes)Cr(CO)~3~], MesB[(η^6^-Mes)Cr(CO)~3~]~2~ und B[(η^6^-Mes)Cr(CO)~3~]~3~. Redoxverhalten und Fragen der intramolekularen Wechselwirkung","Chemische Berichte","1996","129","7","859","869","10.1002/cber.19961290720","","","","","","","","","","","","","","","","","","","","","has coordinates","177579","2020-10-21","18:00:00",""
"1100425","33.631","0.007","12.174","0.002","15.285","0.003","90","","90","","90","","6258.04","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H33 B Cr2 O6 -","- C33 H33 B Cr2 O6 -","- C264 H264 B8 Cr16 O48 -","8","1","","Elschenbroich, Christoph; Kühlkamp, Peter; Behrendt, Andreas; Harms, Klaus","Metall-π-Komplexe von Benzolderivaten, 49. Halbsandwichkomplexe des Trimesitylborans Mes~3~B: Darstellung und Struktur von Mes~2~B[(η^6^-Mes)Cr(CO)~3~], MesB[(η^6^-Mes)Cr(CO)~3~]~2~ und B[(η^6^-Mes)Cr(CO)~3~]~3~. Redoxverhalten und Fragen der intramolekularen Wechselwirkung","Chemische Berichte","1996","129","7","859","869","10.1002/cber.19961290720","","","","","","","","","","","","","","","","","","","","","has coordinates","177579","2020-10-21","18:00:00",""
"1100426","16.151","0.002","16.151","0.002","8.203","0.002","90","","90","","120","","1853.11","","","","","","","","","","","","","5","P -3","-P 3","147","","","","- C36 H33 B Cr3 O9 -","- C112 H99 B Cr9 O27 -","- C224 H198 B2 Cr18 O54 -","2","0.333333","","Elschenbroich, Christoph; Kühlkamp, Peter; Behrendt, Andreas; Harms, Klaus","Metall-π-Komplexe von Benzolderivaten, 49. Halbsandwichkomplexe des Trimesitylborans Mes~3~B: Darstellung und Struktur von Mes~2~B[(η^6^-Mes)Cr(CO)~3~], MesB[(η^6^-Mes)Cr(CO)~3~]~2~ und B[(η^6^-Mes)Cr(CO)~3~]~3~. Redoxverhalten und Fragen der intramolekularen Wechselwirkung","Chemische Berichte","1996","129","7","859","869","10.1002/cber.19961290720","","","","","","","","","","","","","","","","","","","","","has coordinates","177579","2020-10-21","18:00:00",""
"1100427","20.799","0.001","20.799","0.001","14.501","0.0007","90","","90","","120","","5432.67","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H108 Li12 O24 -","- C288 H648 Li72 O144 -","- C864 H1944 Li216 O432 -","3","0.166667","","Boche, Gernot; Möbus, Konrad; Harms, Klaus; Lohrenz, John C. W.; Marsch, Michael","[Lithiumtert-butylperoxide]~12~: Crystal Structure of an Aggregated Oxenoid","Chemistry - A European Journal","1996","2","5","604","607","10.1002/chem.19960020521","","","","","","","","","","","","","","","","","","","","","has coordinates","177550","2020-10-21","18:00:00",""
"1100428","11.348","0.001","12.175","0.001","18.923","0.002","90","","90","","90","","2614.44","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O5 S2 V -","- C28 H26 N2 O5 S2 V -","- C112 H104 N8 O20 S8 V4 -","4","1","","Bolm, Carsten; Bienewald, Frank; Harms, Klaus","Syntheses and Vanadium Complex of Salen-like Bissulfoximines","Synlett","1996","1996","8","775","776","10.1055/s-1996-5512","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100429","9.951","0.001","9.951","0.001","23.091","0.001","90","","90","","120","","1980.19","","","","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C28 H28 N2 O4 S2 -","- C56 H56 N4 O8 S4 -","- C168 H168 N12 O24 S12 -","3","0.5","","Bolm, Carsten; Bienewald, Frank; Harms, Klaus","Syntheses and Vanadium Complex of Salen-like Bissulfoximines","Synlett","1996","1996","8","775","776","10.1055/s-1996-5512","","","","","","","","","","","","","","","","","","","","","has coordinates","178091","2020-10-21","18:00:00",""
"1100430","6.993","0.001","16.539","0.001","9.554","0.001","90","","104.6","0.01","90","","1069.31","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 D O2 V -","- C13 H11 D O2 V -","- C52 H44 D4 O8 V4 -","4","1","","Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K.","Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH)","Journal of the American Chemical Society","1997","119","32","7452","7457","10.1021/ja964445s","","","","","","","","","","","","","","","","","","","","","has coordinates","177993","2020-10-21","18:00:00",""
"1100431","6.98","0.001","16.541","0.001","9.544","0.001","90","","104.6","0.01","90","","1066.33","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 O2 V -","- C13 H12 O2 V -","- C52 H48 O8 V4 -","4","1","","Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K.","Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH)","Journal of the American Chemical Society","1997","119","32","7452","7457","10.1021/ja964445s","","","","","","","","","","","","","","","","","","","","","has coordinates","177993","2020-10-21","18:00:00",""
"1100432","13.534","0.001","23.276","0.001","13.582","0.001","90","","104.34","0.01","90","","4145.26","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O3 V2 -","- C26 H22 O3 V2 -","- C208 H176 O24 V16 -","8","2","","Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K.","Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH)","Journal of the American Chemical Society","1997","119","32","7452","7457","10.1021/ja964445s","","","","","","","","","","","","","","","","","","","","","has coordinates","177993","2020-10-21","18:00:00",""
"1100433","12.232","0.001","26.33","0.002","14.157","0.001","90","","102.12","0.008","90","","4457.89","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H124 Li16 N16 O8 -","- C75 H132 Li16 N16 O8 -","- C300 H528 Li64 N64 O32 -","4","1","","Hill, Christof; Bosold, Ferdinand; Harms, Klaus; Lohrenz, John C. W.; Marsch, Michael; Schmieczek, Michael; Boche, Gernot","Carbene Structure of Stable Acyl (Formyl) Anion Equivalents","Chemische Berichte/Recueil","1997","130","9","1201","1212","10.1002/cber.19971300907","","","","","","","","","","","","","","","","","","","","","has coordinates","177582","2020-10-21","18:00:00",""
"1100434","15.107","0.001","20.419","0.002","15.835","0.001","90","","115.7","0.008","90","","4401.42","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H124 Li16 N16 O8 -","- C72 H124 Li16 N16 O8 -","- C288 H496 Li64 N64 O32 -","4","1","","Hill, Christof; Bosold, Ferdinand; Harms, Klaus; Lohrenz, John C. W.; Marsch, Michael; Schmieczek, Michael; Boche, Gernot","Carbene Structure of Stable Acyl (Formyl) Anion Equivalents","Chemische Berichte/Recueil","1997","130","9","1201","1212","10.1002/cber.19971300907","","","","","","","","","","","","","","","","","","","","","has coordinates","177582","2020-10-21","18:00:00",""
"1100435","9.485","0.001","14.159","0.003","8.078","0.001","90","","108.504","0.009","90","","1028.77","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Br2 N2 O2 S2 Zn2 -","- C28 H40 Br4 N4 O4 S4 Zn4 -","- C56 H80 Br8 N8 O8 S8 Zn8 -","2","0.5","","Hill, Christof; Bosold, Ferdinand; Harms, Klaus; Lohrenz, John C. W.; Marsch, Michael; Schmieczek, Michael; Boche, Gernot","Carbene Structure of Stable Acyl (Formyl) Anion Equivalents","Chemische Berichte/Recueil","1997","130","9","1201","1212","10.1002/cber.19971300907","","","","","","","","","","","","","","","","","","","","","has coordinates","177582","2020-10-21","18:00:00",""
"1100436","13.665","0.003","13.838","0.003","18.545","0.004","68.21","0.03","78.26","0.03","71.7","0.03","3076.49","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H51 Cl10 N3 P3 V2 -","- C59 H45 Cl15 N3 P3 V2 -","- C118 H90 Cl30 N6 P6 V4 -","2","1","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100437","13.665","0.003","13.838","0.003","18.545","0.004","68.21","0.03","78.26","0.03","71.7","0.03","3076.49","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H51 Cl10 N3 P3 V2 -","- C54 H45 Cl4 N3 P3 V2 -","- C108 H90 Cl8 N6 P6 V4 -","2","1","","Miekisch, Thomas; Harms, Klaus; Wocadlo, Sigrid; Massa, Werner; Neumüller, Bernhard; Frommen, Christoph; Dehnicke, Kurt","Die Kristallstruckturen der Phosphaniminato-Komplexe. [Ti~3~^IV^Cl~8~(NPMe~3~)~3~]Cl und [V~2~^III/IV^Cl~4~(NPPh~3~)~3~] / Crystal Structures of the Phosphoraneiminato Complexes [Ti~3~^IV^Cl~8~(NPMe~3~)~3~]Cl and [V~2~^III/IV^Cl~4~(NPPh~3~)~3~]","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","12","1484","1490","10.1515/znb-1997-1208","","","","","","","","","","","","","","","","","","","","","has coordinates","177128","2020-10-21","18:00:00",""
"1100438","14.217","0.002","16.97","0.002","19.746","0.002","90","","90","","90","","4763.97","","","","","","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C17 H49 Cl13 N3 O2 P5 Ti3 -","- C66 H210 Cl33 N5 O8 P7 Ti5 -","- C264 H840 Cl132 N20 O32 P28 Ti20 -","4","0.25","","Miekisch, Thomas; Harms, Klaus; Wocadlo, Sigrid; Massa, Werner; Neumüller, Bernhard; Frommen, Christoph; Dehnicke, Kurt","Die Kristallstruckturen der Phosphaniminato-Komplexe. [Ti~3~^IV^Cl~8~(NPMe~3~)~3~]Cl und [V~2~^III/IV^Cl~4~(NPPh~3~)~3~] / Crystal Structures of the Phosphoraneiminato Complexes [Ti~3~^IV^Cl~8~(NPMe~3~)~3~]Cl and [V~2~^III/IV^Cl~4~(NPPh~3~)~3~]","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","12","1484","1490","10.1515/znb-1997-1208","","","","","","","","","","","","","","","","","","","","","has coordinates","177128","2020-10-21","18:00:00",""
"1100439","8.967","0.002","12.842","0.001","15.1","0.003","90","","94.14","0.01","90","","1734.29","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H42 O7 -","- C40 H42 O7 -","- C80 H84 O14 -","2","1","","Reichardt, Christian; Blum, Andreas; Harms, Klaus; Schäfer, Gerhard","Pyridinium N-Phenolate Betaine Dyes and Their Application to the Characterization of the Polarity of Solvents, XXII. Syntheses and UV/Vis Spectroscopic Properties of Solvatochromic, Halochromic, and Chiro-Solvatochromic Pyridinium N-Phenolate Betaine Dyes with Four Stereogenic Centers","Liebigs Annalen/Recueil","1997","1997","4","707","720","10.1002/jlac.199719970411","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100440","7.462","0.001","11.673","0.002","8.775","0.002","90","","105.39","0.03","90","","736.93","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H24 Cl N O3 -","- C13 H24 Cl N O3 -","- C26 H48 Cl2 N2 O6 -","2","1","","Aurich, Hans Günter; Biesemeier, Frank; Geiger, Michael; Harms, Klaus","Bicyclic and Tricyclic Compounds with β-Amino Alcohol Groups as Chiral Ligands in the Enantioselective Reaction of Diethylzinc with Aldehydes","Liebigs Annalen/Recueil","1997","1997","2","423","434","10.1002/jlac.199719970222","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100441","15.488","0.001","15.488","0.001","11.604","0.001","90","","90","","120","","2410.62","","","","","","","","","","","","","4","P 61","P 61","169","","","","- C15.32 H28.3 N O3.33 -","- C27 H25 N O5 -","- C162 H150 N6 O30 -","6","1","","Aurich, Hans Günter; Biesemeier, Frank; Geiger, Michael; Harms, Klaus","Bicyclic and Tricyclic Compounds with β-Amino Alcohol Groups as Chiral Ligands in the Enantioselective Reaction of Diethylzinc with Aldehydes","Liebigs Annalen/Recueil","1997","1997","2","423","434","10.1002/jlac.199719970222","","","","","","","","","","","","","","","","","","","","","has coordinates","177967","2020-10-21","18:00:00",""
"1100442","5.291","0.001","13.453","0.001","16.941","0.001","90","","90","","90","","1205.86","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O3 -","- C12 H21 N O3 -","- C48 H84 N4 O12 -","4","1","","Aurich, Hans Günter; Biesemeier, Frank; Geiger, Michael; Harms, Klaus","Bicyclic and Tricyclic Compounds with β-Amino Alcohol Groups as Chiral Ligands in the Enantioselective Reaction of Diethylzinc with Aldehydes","Liebigs Annalen/Recueil","1997","1997","2","423","434","10.1002/jlac.199719970222","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100443","14.488","0.001","16.101","0.001","5.608","0.001","90","","90","","90","","1308.19","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H20 N2 O4 -","- C24 H40 N4 O8 -","- C96 H160 N16 O32 -","4","1","","Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus","An Intramolecular 1,3-Dipolar Cycloaddition Involving One Alkyne and Two Nitrone Groups","Liebigs Annalen/Recueil","1997","1997","3","469","471","10.1002/jlac.199719970306","","","","","","","","","","","","","","","","","","","","","has coordinates","177968","2020-10-21","18:00:00",""
"1100444","13.177","0.001","8.48","0.002","19.817","0.004","90","","93.87","0.01","90","","2209.32","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N O3 P S Si -","- C21 H24 N O3 P S Si -","- C84 H96 N4 O12 P4 S4 Si4 -","4","1","","Kunkel, F.; Harms, K.; Kang, H.-C.; Massa, W.; Dehnicke, K.","Phosphaniminato-Komplexe des Schwefels. Kristallstrukturen von [S(NPEt~3~)~3~]Cl, [S(NPEt~3~)~2~]Cl~2~ und [Me~3~SiOSO~2~NPPh~3~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","1-6","962","966","10.1002/zaac.199762301150","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100445","10.854","0.001","17.319","0.001","15.111","0.001","90","","109.82","0.01","90","","2672.3","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H45 Cl N3 P3 S -","- C18 H45 Cl N3 P3 S -","- C72 H180 Cl4 N12 P12 S4 -","4","1","","Kunkel, F.; Harms, K.; Kang, H.-C.; Massa, W.; Dehnicke, K.","Phosphaniminato-Komplexe des Schwefels. Kristallstrukturen von [S(NPEt~3~)~3~]Cl, [S(NPEt~3~)~2~]Cl~2~ und [Me~3~SiOSO~2~NPPh~3~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","1-6","962","966","10.1002/zaac.199762301150","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100446","12.99","0.01","11.579","0.001","12.653","0.001","90","","90","","90","","1903.15","","","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H30 Cl2 N2 P2 S -","- C12 H30 Cl2 N2 P2 S -","- C48 H120 Cl8 N8 P8 S4 -","4","1","","Kunkel, F.; Harms, K.; Kang, H.-C.; Massa, W.; Dehnicke, K.","Phosphaniminato-Komplexe des Schwefels. Kristallstrukturen von [S(NPEt~3~)~3~]Cl, [S(NPEt~3~)~2~]Cl~2~ und [Me~3~SiOSO~2~NPPh~3~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","1-6","962","966","10.1002/zaac.199762301150","","","","","","","","","","","","","","","","","","","","","has coordinates","177948","2020-10-21","18:00:00",""
"1100447","10.4707","0.001","17.0026","0.001","27.9321","0.0002","90","","90","","90","","4972.73","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H23 Cl I P -","- C27 H23 Cl I P -","- C216 H184 Cl8 I8 P8 -","8","1","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Kristallstruktur von [PMePh~3~][Cl-1-C≡C-Ph] / Crystal Structure of [PMePh~3~][Cl-I-C≡C-Ph]","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","","52","6","772","772","10.1515/znb-1997-0618","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100448","8.344","0.001","11.263","0.004","22.134","0.003","90","","90","","90","","2080.12","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O5 V -","- C22 H24 N2 O5 V -","- C88 H96 N8 O20 V4 -","4","1","","Boln, Carsten; Luong, Thi Kim Khanh; Harms, Klaus","Bis[2-(oxazolinyl)phenolato]oxovanadium(IV) Complexes: Syntheses, Crystal Structures and Catalyses","Chemische Berichte/Recueil","1997","130","7","887","890","10.1002/cber.19971300712","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100449","10.09","0.001","11.779","0.003","19.825","0.003","90","","90","","90","","2356.2","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 N2 O5 V -","- C24 H28 N2 O5 V -","- C96 H112 N8 O20 V4 -","4","1","","Boln, Carsten; Luong, Thi Kim Khanh; Harms, Klaus","Bis[2-(oxazolinyl)phenolato]oxovanadium(IV) Complexes: Syntheses, Crystal Structures and Catalyses","Chemische Berichte/Recueil","1997","130","7","887","890","10.1002/cber.19971300712","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100450","11.7956","0.001","19.3126","0.001","21.937","0.005","90","","90","","90","","4997.33","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H80 B3 Li O4 Si2 -","- C48 H88 B3 Li O4 Si2 -","- C192 H352 B12 Li4 O16 Si8 -","4","1","","Unverzagt, Markus; Subramanian, Govindan; Hofmann, Matthias; von Ragué Schleyer, Paul; Berger, Stefan; Harms, Klaus; Massa, Werner; Berndt, Armin","Carbene Analogues of Boron Stabilized by Neighboring B‒B Moieties: Doubly Aromatic Bishomotriboriranides","Angewandte Chemie, International Edition in English","1997","36","1314","1469","1472","10.1002/anie.199714691","","","","","","","","","","","","","","","","","","","","","has coordinates","177012","2020-10-21","18:00:00",""
"1100451","18.666","0.003","19.977","0.002","21.253","0.003","90","","107.96","0.01","90","","7538.87","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85 H73 B Cl3 F4 P4 Rh -","- C76 H64 B F4 P4 Rh -","- C304 H256 B4 F16 P16 Rh4 -","4","1","","Breit, Bernhard; Winde, Roland; Harms, Klaus","Phosphabenzene‒rhodium catalysts for the efficient hydroformylation of terminal and internal olefins","Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999)","1997","","18","2681","2682","10.1039/a705249i","","","","","","","","","","","","","","","","","","","","","has coordinates","177527","2020-10-21","18:00:00",""
"1100452","7.706","0.0005","8.79","0.0008","9.767","0.0009","70.33","0.007","80.9","0.006","69.63","0.006","583.38","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 Li2 N2 O8 -","- C38 H82 Li4 N4 O20 -","- C38 H82 Li4 N4 O20 -","1","0.5","","Hilf, Christoff; Bosold, Ferdinand; Harms, Klaus; Marsch, Michael; Boche, Gernot","The Equilibrium Between 2-Lithium-Oxazole(-Thiazole, -Imidazole) Derivatives and Their Acyclic Isomers ‒ A Structural Investigation","Chemische Berichte/Recueil","1997","130","9","1213","1221","10.1002/cber.19971300908","","","","","","","","","","","","","","","","","","","","","has coordinates","177584","2020-10-21","18:00:00",""
"1100453","15.587","0.003","15.587","0.003","15.587","0.003","90","","90","","90","","3786.93","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C9 H28 I N Sn3 -","- C9 H28 I N Sn3 -","- C72 H224 I8 N8 Sn24 -","8","0.666667","","Hillwig, R.; Harms, K.; Dehnicke, K.; Müller, U.","Elementorganisch substituierte Ammonium-Salze. Die Kristallstrukturen von [HN(SnMe~3~)~3~]I, [H~2~N(SnMe~3~)~2~][SnMe~3~Cl~2~] und [N(AsMe~3~)~2~]Br","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","1-6","676","682","10.1002/zaac.199762301107","","","","","","","","","","","","","","","","","","","","","has coordinates","177947","2020-10-21","18:00:00",""
"1100454","13.732","0.006","7.622","0.003","19.515","0.008","90","","90","","90","","2042.54","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H29 Cl2 N Sn3 -","- C9 H29 Cl2 N Sn3 -","- C36 H116 Cl8 N4 Sn12 -","4","1","","Hillwig, R.; Harms, K.; Dehnicke, K.; Müller, U.","Elementorganisch substituierte Ammonium-Salze. Die Kristallstrukturen von [HN(SnMe~3~)~3~]I, [H~2~N(SnMe~3~)~2~][SnMe~3~Cl~2~] und [N(AsMe~3~)~2~]Br","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","1-6","676","682","10.1002/zaac.199762301107","","","","","","","","","","","","","","","","","","","","","has coordinates","189099","2020-10-21","18:00:00",""
"1100455","8.263","0.002","8.263","0.002","34.909","0.007","90","","90","","90","","2383.49","","","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C6 H18 As2 Br N -","- C12 As4 Br N -","- C96 As32 Br8 N8 -","8","0.5","","Hillwig, R.; Harms, K.; Dehnicke, K.; Müller, U.","Elementorganisch substituierte Ammonium-Salze. Die Kristallstrukturen von [HN(SnMe~3~)~3~]I, [H~2~N(SnMe~3~)~2~][SnMe~3~Cl~2~] und [N(AsMe~3~)~2~]Br","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","1-6","676","682","10.1002/zaac.199762301107","","","","","","","","","","","","","","","","","","","","","has coordinates","177947","2020-10-21","18:00:00",""
"1100456","6.397","0.001","7.769","0.002","15.411","0.004","90","","100.15","0.02","90","","753.91","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H21 N O4 S -","- C14 H21 N O4 S -","- C28 H42 N2 O8 S2 -","2","1","","Harms, K.; Koert, U.; Wagner, H.","Crystal structure of (2S,5S,1'S)-5-hydroxymethyl-2-(1'-p-toluene-sulfonamidoethyl)-tetrahydrofurane, C~14~H~21~NO~4~S","Zeitschrift für Kristallographie","1997","212","3","212","212","10.1524/zkri.1997.212.3.238","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100457","7.315","0.001","23.991","0.001","16.92","0.004","90","","92.23","0.01","90","","2967.11","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cr N O6 -","- C14 H9 Cr N O6 -","- C112 H72 Cr8 N8 O48 -","8","2","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100458","14.175","0.004","18.969","0.004","15.866","0.003","90","","101.22","0.01","90","","4184.6","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H78 Cl8 F6 N4 P4 Ti2 -","- C152 Cl8 F12 N8 P8 Ti4 -","- C304 Cl16 F24 N16 P16 Ti8 -","2","0.5","","Grün, Marion; Harms, Klaus; Köcker, Rolf Meyer Zu; Dehnicke, Kurt; Goesmann, Helmut","Kristallstrukturen von [TiF~3~(NPPh~3~)(HNPPh~3~)]~2~ und von HNPPh~3~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","6","1091","1096","10.1002/zaac.19966220626","","","","","","","","","","","","","","","","","","","","","has coordinates","176957","2020-10-21","18:00:00",""
"1100459","14.604","0.009","9.289","0.006","10.966","0.006","90","","93.35","0.05","90","","1485.07","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N P -","- C18 H16 N P -","- C72 H64 N4 P4 -","4","1","","Grün, Marion; Harms, Klaus; Köcker, Rolf Meyer Zu; Dehnicke, Kurt; Goesmann, Helmut","Kristallstrukturen von [TiF~3~(NPPh~3~)(HNPPh~3~)]~2~ und von HNPPh~3~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","6","1091","1096","10.1002/zaac.19966220626","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100460","13.82","0.002","13.82","0.002","8.625","0.002","90","","90","","120","","1426.61","","","","","","","","","","","","","5","P 61","P 61","169","","","","- C7 H9 N O2 S -","- C10 H9 N O2 S -","- C60 H54 N6 O12 S6 -","6","1","","Bolm, Carsten; Müller, Peter; Harms, Klaus","Sulfoximine‒Titanium Reagents in Enantioselective Trimethylsilylcyanations of Aldehydes","Acta Chemica Scandinavica","1996","50","","305","315","10.3891/acta.chem.scand.50-0305","","","","","","","","","","","","","","","","","","","","","has coordinates","178090","2020-10-21","18:00:00",""
"1100461","6.82","0.001","6.494","0.001","12.471","0.002","90","","97.49","0.03","90","","547.62","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Bolm, Carsten; Müller, Peter; Harms, Klaus","Sulfoximine–Titanium Reagents in Enantioselective Trimethylsilylcyanations of Aldehydes","Acta Chemica Scandinavica","1996","50","","305","315","10.3891/acta.chem.scand.50-0305","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100462","10.29","0.001","16.86","0.002","18.136","0.003","90","","90","","90","","3146.4","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O -","- C19 H19 N O -","- C152 H152 N8 O8 -","8","2","","Hoppe, I.; Hoppe, D.; Marsch, M.; Harms, K.; Boche, G.","Crystal structure of (1R)-1-methyl-1-(α-methylbenzyl-carboxamido)-indene, C~19~H~19~NO","Zeitschrift für Kristallographie","1996","211","5","331","332","10.1524/zkri.1996.211.5.331","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100463","8.973","0.001","6.542","0.001","17.092","0.001","90","","90","","90","","1003.32","","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H10 I N3 -","- C8 H10 I N3 -","- C32 H40 I4 N12 -","4","0.5","","Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph","Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes","Journal of the American Chemical Society","1996","118","","4925","4930","10.1021/ja9536274","","","0.71073","MoKα","","0.0355","0.027","","0.0815","0.0732","","","","1.048","1.064","1.064","","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100464","26.993","0.004","5.599","0.001","15.917","0.002","90","","105.44","0.01","90","","2318.78","","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 I N3 -","- C10 H12 I N3 -","- C80 H96 I8 N24 -","8","1","","Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph","Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes","Journal of the American Chemical Society","1996","118","","4925","4930","10.1021/ja9536274","","","0.71073","MoKα","","0.0302","0.0193","","0.0522","0.0485","","","","1.06","1.075","1.075","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100465","11.129","0.001","19.133","0.002","10.41","0.001","90","","90","","90","","2216.61","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H72 N4 P4 Zn4 -","- C56 H144 N8 P8 Zn8 -","- C112 H288 N16 P16 Zn16 -","2","0.5","","Krieger, Matthias; Gould, Robert O.; Harms, Klaus; Parsons, Simon; Dehnicke, Kurt","Zinkorganische Phosphaniminato-Komplexe mit Heterocuban-Struktur","Chemische Berichte","1996","129","12","1621","1625","10.1002/cber.19961291232","","","","","","","","","","","","","","","","","","","","","has coordinates","177580","2020-10-21","18:00:00",""
"1100466","11.8556","0.0007","16.3583","0.0011","16.552","0.002","90","","90","","90","","3210.05","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H48 N4 P4 Zn4 -","- C28 H96 N6 P6 Zn6 -","- C112 H384 N24 P24 Zn24 -","4","0.5","","Krieger, Matthias; Gould, Robert O.; Harms, Klaus; Parsons, Simon; Dehnicke, Kurt","Zinkorganische Phosphaniminato-Komplexe mit Heterocuban-Struktur","Chemische Berichte","1996","129","12","1621","1625","10.1002/cber.19961291232","","","","","","","","","","","","","","","","","","","","","has coordinates","177580","2020-10-21","18:00:00",""
"1100467","12.4","0.003","17.808","0.004","18.723","0.004","90","","106.02","0.03","90","","3973.84","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H63 I N3 P3 Zn4 -","- C25 H63 I N3 P3 Zn4 -","- C100 H252 I4 N12 P12 Zn16 -","4","1","","Krieger, Matthias; Gould, Robert O.; Harms, Klaus; Parsons, Simon; Dehnicke, Kurt","Zinkorganische Phosphaniminato-Komplexe mit Heterocuban-Struktur","Chemische Berichte","1996","129","12","1621","1625","10.1002/cber.19961291232","","","","","","","","","","","","","","","","","","","","","has coordinates","177580","2020-10-21","18:00:00",""
"1100468","14.441","0.001","5.973","0.004","14.522","0.001","90","","113.51","0.007","90","","1148.63","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Cl N3 O4 -","- C9 H12 Cl N3 O4 -","- C36 H48 Cl4 N12 O16 -","4","1","","Boche, G.; Rangappa, K.; Harms, K.; Marsch, M.","Crystal structure of 1-benzyl-3-methyl-1,2,3-triazolium Perchlorate, (C~6~H~5~)(N~3~C~3~H~7~)^+^ ClO~4~^-^","Zeitschrift für Kristallographie","1996","211","8","581","582","10.1524/zkri.1996.211.8.581","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100469","9.876","0.0005","11.023","0.001","29.415","0.002","90","","92.51","0.01","90","","3199.14","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 I N3 -","- C16 H16 I N3 -","- C128 H128 I8 N24 -","8","2","","Boche, G.; Willeke, C.; Marsch, M.; Harms, K.","Crystal structure of 1,3-dibenzyl-1,2,3-triazolium iodide, (C~6~H~5~CH~2~)~2~(C~2~H~2~N~3~)^+^I^-^","Zeitschrift für Kristallographie","1996","211","8","583","584","10.1524/zkri.1996.211.8.583","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100470","12.713","0.001","10.728","0.005","12.731","0.001","90","","91.81","0.01","90","","1735.45","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cl2 Li N3 -","- C16 H16 Cl2 Li N3 -","- C64 H64 Cl8 Li4 N12 -","4","1","","Müller, Achim; Marsch, Michael; Harms, Klaus; Lohrenz, John C. W.; Boche, Gernot","LiCHCl~2~ · 3 Pyridine, Structure of a Carbenoid with a Tetrahedral C Atom","Angewandte Chemie, International Edition in English","1996","35","1314","1518","1520","10.1002/anie.199615181","","","","","","","","","","","","","","","","","","","","","has coordinates","177019","2020-10-21","18:00:00",""
"1100471","13.61","0.001","8.1956","0.0009","14.225","0.001","90","","109.859","0.006","90","","1492.33","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H24 B F3 N P Si -","- C9 H24 B F3 N P Si -","- C36 H96 B4 F12 N4 P4 Si4 -","4","1","","Möhlen, M.; Harms, K.; Dehnicke, K.; Magull, J.; Goesmann, H.; Fenske, D.","Phosphanimin- und Phosphaniminato-Komplexe von Bor. Synthese und Kristallstrukturen von [BF~3~(Me~3~SiNPEt~3~)], [BCl~2~(NPPh~3~)]~2~, [BCl~2~(NPEt~3~)]~2~, [B~2~Cl~3~(NPEt~3~)~2~]^+^BCl~4~^-^ und [B~2~Cl~2~(NPiPr~3~)~3~]^+^BCl~4~^-^","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","10","1692","1700","10.1002/zaac.19966221011","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100472","11.846","0.002","20.864","0.005","8.43","0.004","90","","96.86","0.03","90","","2068.6","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 B2 Cl8 N2 P2 -","- C74 H64 B4 Cl12 N4 P4 -","- C148 H128 B8 Cl24 N8 P8 -","2","0.5","","Möhlen, M.; Harms, K.; Dehnicke, K.; Magull, J.; Goesmann, H.; Fenske, D.","Phosphanimin- und Phosphaniminato-Komplexe von Bor. Synthese und Kristallstrukturen von [BF~3~(Me~3~SiNPEt~3~)], [BCl~2~(NPPh~3~)]~2~, [BCl~2~(NPEt~3~)]~2~, [B~2~Cl~3~(NPEt~3~)~2~]^+^BCl~4~^-^ und [B~2~Cl~2~(NPiPr~3~)~3~]^+^BCl~4~^-^","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","10","1692","1700","10.1002/zaac.19966221011","","","","","","","","","","","","","","","","","","","","","has coordinates","177945","2020-10-21","18:00:00",""
"1100473","12.695","0.001","11.387","0.001","14.703","0.002","90","","90","","90","","2125.44","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H30 B2 Cl4 N2 P2 -","- C24 H60 B4 Cl8 N4 P4 -","- C96 H240 B16 Cl32 N16 P16 -","4","0.5","","Möhlen, M.; Harms, K.; Dehnicke, K.; Magull, J.; Goesmann, H.; Fenske, D.","Phosphanimin- und Phosphaniminato-Komplexe von Bor. Synthese und Kristallstrukturen von [BF~3~(Me~3~SiNPEt~3~)], [BCl~2~(NPPh~3~)]~2~, [BCl~2~(NPEt~3~)]~2~, [B~2~Cl~3~(NPEt~3~)~2~]^+^BCl~4~^-^ und [B~2~Cl~2~(NPiPr~3~)~3~]^+^BCl~4~^-^","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","10","1692","1700","10.1002/zaac.19966221011","","","","","","","","","","","","","","","","","","","","","has coordinates","177945","2020-10-21","18:00:00",""
"1100474","13.093","0.002","16.198","0.004","24.107","0.004","90","","90","","90","","5112.62","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H30 B3 Cl7 N2 P2 -","- C12 H30 B3 Cl7 N2 P2 -","- C96 H240 B24 Cl56 N16 P16 -","8","1","","Möhlen, M.; Harms, K.; Dehnicke, K.; Magull, J.; Goesmann, H.; Fenske, D.","Phosphanimin- und Phosphaniminato-Komplexe von Bor. Synthese und Kristallstrukturen von [BF~3~(Me~3~SiNPEt~3~)], [BCl~2~(NPPh~3~)]~2~, [BCl~2~(NPEt~3~)]~2~, [B~2~Cl~3~(NPEt~3~)~2~]^+^BCl~4~^-^ und [B~2~Cl~2~(NPiPr~3~)~3~]^+^BCl~4~^-^","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","10","1692","1700","10.1002/zaac.19966221011","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100475","19.765","0.004","8.602","0.002","26.127","0.005","90","","90","","90","","4442.07","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H65 B3 Cl8 N3 P3 -","- C28 H65 B3 Cl8 N3 P3 -","- C112 H260 B12 Cl32 N12 P12 -","4","1","","Möhlen, M.; Harms, K.; Dehnicke, K.; Magull, J.; Goesmann, H.; Fenske, D.","Phosphanimin- und Phosphaniminato-Komplexe von Bor. Synthese und Kristallstrukturen von [BF~3~(Me~3~SiNPEt~3~)], [BCl~2~(NPPh~3~)]~2~, [BCl~2~(NPEt~3~)]~2~, [B~2~Cl~3~(NPEt~3~)~2~]^+^BCl~4~^-^ und [B~2~Cl~2~(NPiPr~3~)~3~]^+^BCl~4~^-^","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","10","1692","1700","10.1002/zaac.19966221011","","","","","","","","","","","","","","","","","","","","","has coordinates","177945","2020-10-21","18:00:00",""
"1100476","7.594","0.001","14.485","0.003","15.576","0.002","90","","91.09","0.01","90","","1713.04","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N2 S2 Sb -","- C18 H15 N2 S2 Sb -","- C72 H60 N8 S8 Sb4 -","4","1","","Kunkel, Frank; Harms, Klaus; Kang, Hak-Chul; Massa, Werner; Dehnicke, Kurt","Über die Reaktion von SbPh~3~ mit S~3~N~2~Cl~2~ Kristallstrukturen von [xxx] und [(Ph~3~SbCl~2~)~2~·S~4~N~4~] / On the Reaction of SbPh~3~ with S~3~N~2~Cl~2~. Crystal Structures of [xxx] and [(Ph~3~SbCl~2~)~2~·S~4~N~4~]","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","2","193","198","10.1515/znb-1997-0208","","","","","","","","","","","","","","","","","","","","","has coordinates","177074","2020-10-21","18:00:00",""
"1100477","15.493","0.0014","10.1769","0.0014","26.2388","0.0014","90","","105.56","0.017","90","","3985.47","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Cl4 N4 S4 Sb2 -","- C36 H30 Cl4 N8 S8 Sb2 -","- C144 H120 Cl16 N32 S32 Sb8 -","4","0.5","","Kunkel, Frank; Harms, Klaus; Kang, Hak-Chul; Massa, Werner; Dehnicke, Kurt","Über die Reaktion von SbPh~3~ mit S~3~N~2~Cl~2~ Kristallstrukturen von [xxx] und [(Ph~3~SbCl~2~)~2~·S~4~N~4~] / On the Reaction of SbPh~3~ with S~3~N~2~Cl~2~. Crystal Structures of [xxx] and [(Ph~3~SbCl~2~)~2~·S~4~N~4~]","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","2","193","198","10.1515/znb-1997-0208","","","","","","","","","","","","","","","","","","","","","has coordinates","177074","2020-10-21","18:00:00",""
"1100478","9.033","0.002","12.179","0.003","15.916","0.002","90","","93.943","0.014","90","","1746.82","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H52 Cl4 N2 P2 Si2 Zn2 -","- C44 H104 Cl8 N4 P4 Si4 Zn4 -","- C88 H208 Cl16 N8 P8 Si8 Zn8 -","2","0.5","","Krieger, Matthias; Harms, Klaus; Magull, Jörg; Dehnicke, Kurt","Phosphanimin- und Phosphaniminato-Komplexe des Zinks. Kristallstrukturen von [ZnCl~2~(Me~3~SiNP(CH~2~)~4~CMe~3~)]~2~, [ZnI~2~(Me~3~SiNPEt~3~)]~2~, [ZnI~2~{Me~2~Si(NPEt~3~)~2~}] und [ZnBr(NPMe~3~)]~4~·CH~2~Cl~2~ / Phosphaneimine and Phosphoraneiminato Complexes of Zinc. Crystal Structures of [ZnCl~2~(Me~3~SiNP(CH~2~)~4~CMe~3~)]~2~, [ZnI~2~(Me~3~SiNPEt~3~)]~2~, [Znl~2~{Me~2~Si(NPEt~3~)~2~}], and [ZnBr(NPMe~3~)]~4~·CH~2~Cl~2~","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","2","243","250","10.1515/znb-1997-0218","","","","","","","","","","","","","","","","","","","","","has coordinates","177075","2020-10-21","18:00:00",""
"1100479","9.479","0.002","12.192","0.002","15.271","0.002","90","","91.17","0.01","90","","1764.47","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H48 I4 N2 P2 Si2 Zn2 -","- C36 H96 I8 N4 P4 Si4 Zn4 -","- C72 H192 I16 N8 P8 Si8 Zn8 -","2","0.5","","Krieger, Matthias; Harms, Klaus; Magull, Jörg; Dehnicke, Kurt","Phosphanimin- und Phosphaniminato-Komplexe des Zinks. Kristallstrukturen von [ZnCl~2~(Me~3~SiNP(CH~2~)~4~CMe~3~)]~2~, [ZnI~2~(Me~3~SiNPEt~3~)]~2~, [ZnI~2~{Me~2~Si(NPEt~3~)~2~}] und [ZnBr(NPMe~3~)]~4~·CH~2~Cl~2~ / Phosphaneimine and Phosphoraneiminato Complexes of Zinc. Crystal Structures of [ZnCl~2~(Me~3~SiNP(CH~2~)~4~CMe~3~)]~2~, [ZnI~2~(Me~3~SiNPEt~3~)]~2~, [Znl~2~{Me~2~Si(NPEt~3~)~2~}], and [ZnBr(NPMe~3~)]~4~·CH~2~Cl~2~","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","2","243","250","10.1515/znb-1997-0218","","","","","","","","","","","","","","","","","","","","","has coordinates","177075","2020-10-21","18:00:00",""
"1100480","9.654","0.001","9.654","0.001","27.969","0.002","90","","90","","90","","2606.7","","","","","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C14 H36 I2 N2 P2 Si Zn -","- C28 H72 I4 N4 P4 Si Zn -","- C112 H288 I16 N16 P16 Si4 Zn4 -","4","0.5","","Krieger, Matthias; Harms, Klaus; Magull, Jörg; Dehnicke, Kurt","Phosphanimin- und Phosphaniminato-Komplexe des Zinks. Kristallstrukturen von [ZnCl~2~(Me~3~SiNP(CH~2~)~4~CMe~3~)]~2~, [ZnI~2~(Me~3~SiNPEt~3~)]~2~, [ZnI~2~{Me~2~Si(NPEt~3~)~2~}] und [ZnBr(NPMe~3~)]~4~·CH~2~Cl~2~ / Phosphaneimine and Phosphoraneiminato Complexes of Zinc. Crystal Structures of [ZnCl~2~(Me~3~SiNP(CH~2~)~4~CMe~3~)]~2~, [ZnI~2~(Me~3~SiNPEt~3~)]~2~, [Znl~2~{Me~2~Si(NPEt~3~)~2~}], and [ZnBr(NPMe~3~)]~4~·CH~2~Cl~2~","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","2","243","250","10.1515/znb-1997-0218","","","","","","","","","","","","","","","","","","","","","has coordinates","177075","2020-10-21","18:00:00",""
"1100481","11.469","0.006","11.469","0.006","14.379","0.007","90","","90","","90","","1891.38","","","","","","","","","","","","","7","P 42/n m c :2","-P 4ac 2a","137","","","","- C13 H38 Br4 Cl2 N4 P4 Zn4 -","- C88 H216 Br16 N16 P16 Zn16 -","- C176 H432 Br32 N32 P32 Zn32 -","2","0.125","","Krieger, Matthias; Harms, Klaus; Magull, Jörg; Dehnicke, Kurt","Phosphanimin- und Phosphaniminato-Komplexe des Zinks. Kristallstrukturen von [ZnCl~2~(Me~3~SiNP(CH~2~)~4~CMe~3~)]~2~, [ZnI~2~(Me~3~SiNPEt~3~)]~2~, [ZnI~2~{Me~2~Si(NPEt~3~)~2~}] und [ZnBr(NPMe~3~)]~4~·CH~2~Cl~2~ / Phosphaneimine and Phosphoraneiminato Complexes of Zinc. Crystal Structures of [ZnCl~2~(Me~3~SiNP(CH~2~)~4~CMe~3~)]~2~, [ZnI~2~(Me~3~SiNPEt~3~)]~2~, [Znl~2~{Me~2~Si(NPEt~3~)~2~}], and [ZnBr(NPMe~3~)]~4~·CH~2~Cl~2~","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","2","243","250","10.1515/znb-1997-0218","","","","","","","","","","","","","","","","","","","","","has coordinates","177075","2020-10-21","18:00:00",""
"1100482","10.218","0.002","11.927","0.002","21.439","0.004","87.21","0.03","85.95","0.03","74.16","0.03","2506.11","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Cl N2 O P -","- C27 H28 Cl N2 O P -","- C108 H112 Cl4 N8 O4 P4 -","4","2","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","N,N'-Dim ethylharnstoff als chelatisierende Lewis-Säure: Synthese und Kristallstrukturen von PPh~4~[Cl(H~2~Me~2~N~2~CO)] und (PPh~4~)~2~[Cl(H~2~Me~2~N~2~CO)]Cl / N.N'-Dimethylurea as a Chelating Lewis Acid: Synthesis and Crystal Structures of PPh~4~[Cl(H~2~Me~2~N~2~CO)] and (PPh~4~)~2~[Cl(H~2~Me~2~N2~C~O)]Cl","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1996","51","10","1423","1427","10.1515/znb-1996-1010","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100483","11.384","0.002","28.554","0.003","13.94","0.001","90","","91.19","0.1","90","","4530.34","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H48 Cl2 N2 O P2 -","- C51 H48 Cl2 N2 O P2 -","- C204 H192 Cl8 N8 O4 P8 -","4","1","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","N,N'-Dim ethylharnstoff als chelatisierende Lewis-Säure: Synthese und Kristallstrukturen von PPh~4~[Cl(H~2~Me~2~N~2~CO)] und (PPh~4~)~2~[Cl(H~2~Me~2~N~2~CO)]Cl / N.N'-Dimethylurea as a Chelating Lewis Acid: Synthesis and Crystal Structures of PPh~4~[Cl(H~2~Me~2~N~2~CO)] and (PPh~4~)~2~[Cl(H~2~Me~2~N2~C~O)]Cl","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1996","51","10","1423","1427","10.1515/znb-1996-1010","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100484","16.272","0.001","8.763","0.003","13.353","0.001","90","","90","","90","","1904.02","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H24 Cl4 N2 Nb P -","- C11 H24 Cl4 N2 Nb P -","- C44 H96 Cl16 N8 Nb4 P4 -","4","1","","Philipp, G.; Harms, K.; Dehnicke, K.; Maichle-Mössmer, C.; Abram, U.","Phosphaniminato-Komplexe von Niob und Tantal. Die Kristallstrukturen von [NbCl~4~(NPiPr~3~)(CH~3~CN)], [NbCl~3~(NPiPr~3~)~2~], [TaCl~4~(NPiPr~3~)]~2~ und [TaCl~3~(NPiPr~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","11","1927","1934","10.1002/zaac.19966221119","","","","","","","","","","","","","","","","","","","","","has coordinates","177946","2020-10-21","18:00:00",""
"1100485","13.027","0.001","13.217","0.001","16.72","0.001","90","","111.71","0.01","90","","2674.61","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H42 Cl3 N2 Nb P2 -","- C18 H36 Cl3 N2 Nb P2 -","- C72 H144 Cl12 N8 Nb4 P8 -","4","1","","Philipp, G.; Harms, K.; Dehnicke, K.; Maichle-Mössmer, C.; Abram, U.","Phosphaniminato-Komplexe von Niob und Tantal. Die Kristallstrukturen von [NbCl~4~(NPiPr~3~)(CH~3~CN)], [NbCl~3~(NPiPr~3~)~2~], [TaCl~4~(NPiPr~3~)]~2~ und [TaCl~3~(NPiPr~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","11","1927","1934","10.1002/zaac.19966221119","","","","","","","","","","","","","","","","","","","","","has coordinates","177946","2020-10-21","18:00:00",""
"1100486","14.206","0.001","14.839","0.001","16.22","0.001","90","","90","","90","","3419.22","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H42 Cl8 N2 P2 Ta2 -","- C42 H112 Cl16 N4 P4 Ta4 -","- C168 H448 Cl64 N16 P16 Ta16 -","4","0.5","","Philipp, G.; Harms, K.; Dehnicke, K.; Maichle-Mössmer, C.; Abram, U.","Phosphaniminato-Komplexe von Niob und Tantal. Die Kristallstrukturen von [NbCl~4~(NPiPr~3~)(CH~3~CN)], [NbCl~3~(NPiPr~3~)~2~], [TaCl~4~(NPiPr~3~)]~2~ und [TaCl~3~(NPiPr~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","11","1927","1934","10.1002/zaac.19966221119","","","","","","","","","","","","","","","","","","","","","has coordinates","177946","2020-10-21","18:00:00",""
"1100487","13.039","0.003","13.272","0.002","16.821","0.004","90","","111.92","0.01","90","","2700.49","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H42 Cl3 N2 P2 Ta -","- C18 H42 Cl3 N2 P2 Ta -","- C72 H168 Cl12 N8 P8 Ta4 -","4","1","","Philipp, G.; Harms, K.; Dehnicke, K.; Maichle-Mössmer, C.; Abram, U.","Phosphaniminato-Komplexe von Niob und Tantal. Die Kristallstrukturen von [NbCl~4~(NPiPr~3~)(CH~3~CN)], [NbCl~3~(NPiPr~3~)~2~], [TaCl~4~(NPiPr~3~)]~2~ und [TaCl~3~(NPiPr~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","11","1927","1934","10.1002/zaac.19966221119","","","","","","","","","","","","","","","","","","","","","has coordinates","177946","2020-10-21","18:00:00",""
"1100488","9.754","0.001","13.163","0.002","14.853","0.001","90","","98.55","0.01","90","","1885.81","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H27 N Sn3 -","- C11 H27 N Sn3 -","- C44 H108 N4 Sn12 -","4","1","","Hillwig, Ralf; Harms, Klaus; Dehnicke, Kurt","Die Kristallstruktur von Tris(trimethylstannyl) acetonitril / Crystal Structure of Tris(trimethylstannyl)-acetonitrile","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","1","145","148","10.1515/znb-1997-0128","","","","","","","","","","","","","","","","","","","","","has coordinates","177071","2020-10-21","18:00:00",""
"1100489","6.53","0.001","10.34","0.002","11.245","0.002","90","","90","","90","","759.26","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H9 I Pb -","- C3 H9 I2 Pb2 -","- C12 H36 I8 Pb8 -","4","1","","Hillwig, Ralf; Kunkel, Frank; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt","Die Kristallstrukturen von Trimethylbleiiodid und Diphenylbismutchlorid / Crystal Structures of Trimethyllead Iodide and Diphenylbismuth Chloride","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","1","149","152","10.1515/znb-1997-0129","","","","","","","","","","","","","","","","","","","","","has coordinates","177085","2020-10-21","18:00:00",""
"1100490","8.475","0.002","8.475","0.002","16.449","0.004","90","","90","","90","","1181.46","","","","","","","","","","","","","4","P 42","P 4c","77","","","","- C24 H20 Bi2 Cl2 -","- C60 H50 Bi3 Cl6 -","- C120 H100 Bi6 Cl12 -","2","0.5","","Hillwig, Ralf; Kunkel, Frank; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt","Die Kristallstrukturen von Trimethylbleiiodid und Diphenylbismutchlorid / Crystal Structures of Trimethyllead Iodide and Diphenylbismuth Chloride","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","1","149","152","10.1515/znb-1997-0129","","","","","","","","","","","","","","","","","","","","","has coordinates","177085","2020-10-21","18:00:00",""
"1100491","10.689","0.002","13.204","0.002","23.792","0.004","90","","94.85","0.01","90","","3345.92","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 As2 Cl4 N2 P2 -","- C6 H18 As2 Cl4 N2 P2 -","- C48 H144 As16 Cl32 N16 P16 -","8","2","","Garbe, Ralf; Wocadlo, Sigrid; Kang, Hak-Chul; Massa, Werner; Harms, Klaus; Dehnicke, Kurt","Phosphaniminato-Komplexe des Arsens. Kristallstrukturen von [AsCl(NPMe~3~)]~2~Cl~2~, [AsCl(NPMe~3~)~2~SbCl~4~]SbCl~6~ und [AsCl(NPMe~3~)~2~SnCl~4~] · CH~3~CN","Chemische Berichte","1996","129","1","109","113","10.1002/cber.19961290120","","","","","","","","","","","","","","","","","","","","","has coordinates","177576","2020-10-21","18:00:00",""
"1100492","26.667","0.006","7.921","0.003","25.604","0.002","90","","95.84","0.01","90","","5380.25","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H18 As Cl11 N2 P2 Sb2 -","- C6 As Cl11 N2 P2 Sb2 -","- C48 As8 Cl88 N16 P16 Sb16 -","8","1","","Garbe, Ralf; Wocadlo, Sigrid; Kang, Hak-Chul; Massa, Werner; Harms, Klaus; Dehnicke, Kurt","Phosphaniminato-Komplexe des Arsens. Kristallstrukturen von [AsCl(NPMe~3~)]~2~Cl~2~, [AsCl(NPMe~3~)~2~SbCl~4~]SbCl~6~ und [AsCl(NPMe~3~)~2~SnCl~4~] · CH~3~CN","Chemische Berichte","1996","129","1","109","113","10.1002/cber.19961290120","","","","","","","","","","","","","","","","","","","","","has coordinates","177576","2020-10-21","18:00:00",""
"1100493","8.895","0.002","14.233","0.001","17.012","0.001","90","","102.59","0.01","90","","2101.97","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H21 As Cl5 N3 P2 Sn -","- C8 H21 As Cl5 N3 P2 Sn -","- C32 H84 As4 Cl20 N12 P8 Sn4 -","4","1","","Garbe, Ralf; Wocadlo, Sigrid; Kang, Hak-Chul; Massa, Werner; Harms, Klaus; Dehnicke, Kurt","Phosphaniminato-Komplexe des Arsens. Kristallstrukturen von [AsCl(NPMe~3~)]~2~Cl~2~, [AsCl(NPMe~3~)~2~SbCl~4~]SbCl~6~ und [AsCl(NPMe~3~)~2~SnCl~4~] · CH~3~CN","Chemische Berichte","1996","129","1","109","113","10.1002/cber.19961290120","","","","","","","","","","","","","","","","","","","","","has coordinates","177576","2020-10-21","18:00:00",""
"1100494","16.798","0.001","16.798","0.001","8.997","0.001","90","","90","","90","","2538.71","","","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C56 H40 Cl I4 P -","- C56 Cl I4 P -","- C112 Cl2 I8 P2 -","2","0.25","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit 1-Halogen-2-phenylacetylenen. Kristallstrukturen von PPh~4~[X(I‒C≡C‒Ph)~4~] mit X = Cl, Br, I, von PPh~4~[Br(Br‒C≡C‒Ph)~4~] und von NMe~4~[F(I‒C≡C‒Ph)~2~]","Chemische Berichte","1996","129","1","115","120","10.1002/cber.19961290121","","","","","","","","","","","","","","","","","","","","","has coordinates","177577","2020-10-21","18:00:00",""
"1100495","16.807","0.001","16.807","0.001","9.015","0.001","90","","90","","90","","2546.51","","","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C56 H40 Br I4 P -","- C56 H40 Br I4 P -","- C112 H80 Br2 I8 P2 -","2","0.25","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit 1-Halogen-2-phenylacetylenen. Kristallstrukturen von PPh~4~[X(I–C≡C–Ph)~4~] mit X = Cl, Br, I, von PPh~4~[Br(Br–C≡C–Ph)~4~] und von NMe~4~[F(I–C≡C–Ph)~2~]","Chemische Berichte","1996","129","1","115","120","10.1002/cber.19961290121","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100496","17.02","0.01","17.02","0.01","9.881","0.001","90","","90","","90","","2862.33","","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C56 H40 I5 P -","- C56 H40 I5 P -","- C112 H80 I10 P2 -","2","0.25","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit 1-Halogen-2-phenylacetylenen. Kristallstrukturen von PPh~4~[X(I‒C≡C‒Ph)~4~] mit X = Cl, Br, I, von PPh~4~[Br(Br‒C≡C‒Ph)~4~] und von NMe~4~[F(I‒C≡C‒Ph)~2~]","Chemische Berichte","1996","129","1","115","120","10.1002/cber.19961290121","","","","","","","","","","","","","","","","","","","","","has coordinates","177577","2020-10-21","18:00:00",""
"1100497","15.383","0.004","8.53","0.002","18.636","0.003","90","","95.24","0.02","90","","2435.14","","","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C56 H40 Br5 P -","- C56 H40 Br5 P -","- C112 H80 Br10 P2 -","2","0.5","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit 1-Halogen-2-phenylacetylenen. Kristallstrukturen von PPh~4~[X(I–C≡C–Ph)~4~] mit X = Cl, Br, I, von PPh~4~[Br(Br–C≡C–Ph)~4~] und von NMe~4~[F(I–C≡C–Ph)~2~]","Chemische Berichte","1996","129","1","115","120","10.1002/cber.19961290121","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100498","7.25","0.001","10.093","0.001","15.337","0.002","90","","100.21","0.01","90","","1104.5","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 F I2 N -","- C20 H22 F I2 N -","- C40 H44 F2 I4 N2 -","2","1","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit 1-Halogen-2-phenylacetylenen. Kristallstrukturen von PPh~4~[X(I–C≡C–Ph)~4~] mit X = Cl, Br, I, von PPh~4~[Br(Br–C≡C–Ph)~4~] und von NMe~4~[F(I–C≡C–Ph)~2~]","Chemische Berichte","1996","129","1","115","120","10.1002/cber.19961290121","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100499","14.434","0.001","14.434","0.001","7.147","0.001","90","","90","","90","","1489.01","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C28 H20 Cl I4 P -","- C28 H20 Cl I4 P -","- C56 H40 Cl2 I8 P2 -","2","0.25","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit Diiodacetylen. Die Kristallstrukturen von PPh~4~[X(I-C≡C-I)~2~] mit X = Cl, Br, I","Chemische Berichte","1996","129","2","259","262","10.1002/cber.19961290224","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100500","14.499","0.001","14.499","0.001","7.167","0.001","90","","90","","90","","1506.65","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C28 H20 Br I4 P -","- C28 H20 Br I4 P -","- C56 H40 Br2 I8 P2 -","2","0.25","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit Diiodacetylen. Die Kristallstrukturen von PPh~4~[X(I-C≡C-I)~2~] mit X = Cl, Br, I","Chemische Berichte","1996","129","2","259","262","10.1002/cber.19961290224","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100501","14.618","0.007","14.618","0.007","7.123","0.006","90","","90","","90","","1522.08","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C28 H20 I5 P -","- C28 H20 I5 P -","- C56 H40 I10 P2 -","2","0.25","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit Diiodacetylen. Die Kristallstrukturen von PPh~4~[X(I-C≡C-I)~2~] mit X = Cl, Br, I","Chemische Berichte","1996","129","2","259","262","10.1002/cber.19961290224","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100502","10.363","0.002","10.397","0.002","12.137","0.002","92.88","0.01","109.44","0.01","104.47","0.01","1181.21","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H48 Cl6 N2 O10 Ti2 -","- C23 H48 Cl6 N2 O10 Ti2 -","- C46 H96 Cl12 N4 O20 Ti4 -","2","1","","Boche, Gernot; Möbus, Konrad; Harms, Klaus; Marsch, Michael","[((η^2^-tert-Butylperoxo)titanatrane)~2~ · 3 Dichloromethane]: X-ray Crystal Structure and Oxidation Reactions","Journal of the American Chemical Society","1996","118","11","2770","2771","10.1021/ja954308f","","","","","","","","","","","","","","","","","","","","","has coordinates","177983","2020-10-21","18:00:00",""
"1100503","8.766","0.001","9.673","0.001","12.647","0.001","81.71","0.01","82.07","0.01","78.91","0.01","1034.63","","","","","","","","","","","","","4","P 1","P 1","1","","","","- C27 H25 N O2 -","- C27 H25 N O2 -","- C54 H50 N2 O4 -","2","2","","Kossenjans, Michael; Soeberdt, Michael; Wallbaum, Sabine; Harms, Klaus; Martens, Jürgen; Aurich, Hans Günter","Utilization of industrial waste materials. Part 14. Synthesis of β-amino alcohols and thiols with a 2-azabicyclo[3.3.0]octane backbone and their application in enantioselective catalysis","Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999)","1999","","16","2353","2365","10.1039/a902362c","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100504","13.9028","0.0009","15.9059","0.0009","17.6689","0.0014","90","","90","","90","","3907.24","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H61 B2 Li3 O Si2 -","- C69 H100 B2 Li5 O4 Si4 -","- C276 H400 B8 Li20 O16 Si16 -","4","0.5","","Scheschkewitz, David; Menzel, Matthias; Hofmann, Matthias; Schleyer, Paul Ragué; Geiseler, Gertraud; Massa, Werner; Harms, Klaus; Berndt, Armin","A Five-Membered Ring with Three Negative Charges and Solvent-Free Lithium Counterions","Angewandte Chemie, International Edition","1999","38","19","2936","2939","10.1002/(sici)1521-3773(19991004)38:19<2936::aid-anie2936>3.0.co;2-9","","","","","","","","","","","","","","","","","","","","","has coordinates","177014","2020-10-21","18:00:00",""
"1100505","14.858","0.001","16.2","0.001","18.192","0.001","90","","90","","90","","4378.81","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H71 B2 Li3 O2 Si2 -","- C49 H95 B2 Li3 O2 Si2 -","- C196 H380 B8 Li12 O8 Si8 -","4","1","","Scheschkewitz, David; Menzel, Matthias; Hofmann, Matthias; Schleyer, Paul Ragué; Geiseler, Gertraud; Massa, Werner; Harms, Klaus; Berndt, Armin","A Five-Membered Ring with Three Negative Charges and Solvent-Free Lithium Counterions","Angewandte Chemie, International Edition","1999","38","19","2936","2939","10.1002/(sici)1521-3773(19991004)38:19<2936::aid-anie2936>3.0.co;2-9","","","","","","","","","","","","","","","","","","","","","has coordinates","177014","2020-10-21","18:00:00",""
"1100506","8.919","","15.543","0.001","21.796","0.001","90","","90","","90","","3021.54","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 N O6 P -","- C36 H46 N O6 P -","- C144 H184 N4 O24 P4 -","4","1","","Breit, Bernhard; Dauber, Mario; Harms, Klaus","Substrate-Directed Diastereoselective Hydroformylation: Key Step for the Assembly of Polypropionate Subunits","Chemistry - A European Journal","1999","5","10","2819","2827","10.1002/(sici)1521-3765(19991001)5:10<2819::aid-chem2819>3.0.co;2-z","","","","","","","","","","","","","","","","","","","","","has coordinates","177551","2020-10-21","18:00:00",""
"1100507","21.359","0.003","15.343","0.003","16.195","0.002","90","","102.01","0.01","90","","5191.11","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H72 Gd N4 Na O2 Si4 -","- C88 H144 Gd N8 Na O4 Si8 -","- C352 H576 Gd4 N32 Na4 O16 Si32 -","4","0.5","","Karl, Marc; Harms, Klaus; Dehnicke, Kurt","Synthese und Kristallstrukturen der Natrium-Amido-Metallate [(THF)~2~Na(Ph~2~N)~2~Ln{N(SiMe~3~)~2~}~2~] mit Ln = Gd und Yb","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","11","1774","1776","10.1002/(sici)1521-3749(199911)625:11<1774::aid-zaac1774>3.0.co;2-0","","","","","","","","","","","","","","","","","","","","","has coordinates","177981","2020-10-21","18:00:00",""
"1100508","21.105","0.002","15.303","0.003","16.128","0.004","90","","102.2","0.01","90","","5091.22","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H72 N4 Na O2 Si4 Yb -","- C88 H144 N8 Na O4 Si8 Yb -","- C352 H576 N32 Na4 O16 Si32 Yb4 -","4","0.5","","Karl, Marc; Harms, Klaus; Dehnicke, Kurt","Synthese und Kristallstrukturen der Natrium-Amido-Metallate [(THF)~2~Na(Ph~2~N)~2~Ln{N(SiMe~3~)~2~}~2~] mit Ln = Gd und Yb","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","11","1774","1776","10.1002/(sici)1521-3749(199911)625:11<1774::aid-zaac1774>3.0.co;2-0","","","","","","","","","","","","","","","","","","","","","has coordinates","177981","2020-10-21","18:00:00",""
"1100509","18.003","0.001","14.474","0.001","28.384","0.001","90","","90","","90","","7396.17","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H74 B2 P2 -","- C33 H78 B2 P2 -","- C264 H624 B16 P16 -","8","1","","Graf, Claus-Dieter; Malan, Christophe; Harms, Klaus; Knochel, Paul","New Homochiral Ligands Bearing Nonstereogenic Chirotopic Centers. Lithiated N,N'-Dialkylureas as Chiral Bases and Sterically Crowded Phosphines for Asymmetric Catalysis","Journal of Organic Chemistry","1999","64","15","5581","5588","10.1021/jo990412u","","","","","","","","","","","","","","","","","","","","","has coordinates","177997","2020-10-21","18:00:00",""
"1100510","11.0247","0.0013","11.045","0.002","18.4469","0.002","90","","90.809","0.018","90","","2246.01","","","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H62 Br4 Cl2 Mn4 N4 P4 -","- C25 H62 Br4 Cl2 Mn4 N4 P4 -","- C50 H124 Br8 Cl4 Mn8 N8 P8 -","2","1","","Riese, Ulrike; Faza, Naim; Massa, Werner; Harms, Klaus; Breyhan, Thees; Knochel, Paul; Ensling, Jürgen; Ksenofontov, Vadim; Gütlich, Philipp; Dehnicke, Kurt","Phosphoraneiminato Complexes of Manganese and Cobalt with Heterocubane Structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","9","1494","1499","10.1002/(sici)1521-3749(199909)625:9<1494::aid-zaac1494>3.0.co;2-u","","","","","","","","","","","","","","","","","","","","","has coordinates","176947","2020-10-21","18:00:00",""
"1100511","38.3836","0.0017","10.3026","0.0008","24.7228","0.0013","90","","94.385","0.005","90","","9748.03","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H58 Br5 Cl4 Mn4 N12 P3 -","- C20 H56 Br5 Cl5 Mn4 N12 P3 -","- C160 H448 Br40 Cl40 Mn32 N96 P24 -","8","1","","Riese, Ulrike; Faza, Naim; Massa, Werner; Harms, Klaus; Breyhan, Thees; Knochel, Paul; Ensling, Jürgen; Ksenofontov, Vadim; Gütlich, Philipp; Dehnicke, Kurt","Phosphoraneiminato Complexes of Manganese and Cobalt with Heterocubane Structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","9","1494","1499","10.1002/(sici)1521-3749(199909)625:9<1494::aid-zaac1494>3.0.co;2-u","","","","","","","","","","","","","","","","","","","","","has coordinates","176947","2020-10-21","18:00:00",""
"1100512","12.1825","0.0007","16.2092","0.0015","24.0639","0.0014","90","","91.455","0.007","90","","4750.33","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H58 Br5 Cl4 Co4 N12 P3 -","- C21 H62 Br5 Cl8 Co4 N12 P3 -","- C84 H248 Br20 Cl32 Co16 N48 P12 -","4","1","","Riese, Ulrike; Faza, Naim; Massa, Werner; Harms, Klaus; Breyhan, Thees; Knochel, Paul; Ensling, Jürgen; Ksenofontov, Vadim; Gütlich, Philipp; Dehnicke, Kurt","Phosphoraneiminato Complexes of Manganese and Cobalt with Heterocubane Structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","9","1494","1499","10.1002/(sici)1521-3749(199909)625:9<1494::aid-zaac1494>3.0.co;2-u","","","","","","","","","","","","","","","","","","","","","has coordinates","176947","2020-10-21","18:00:00",""
"1100513","17.096","0.002","17.096","0.002","9.824","0.001","90","","90","","90","","2871.29","","","","","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C10 H22 N O4 P Zn -","- C10 H22 N O5 P Zn2 -","- C80 H176 N8 O40 P8 Zn16 -","8","1","","Ackermann, H.; Geiseler, G.; Harms, K.; Leo, R.; Massa, W.; Weller, F.; Dehnicke, K.","Triethylphosphanimin-Komplexe der Acetate von Kupfer(II) und Zink. Kristallstrukturen von [Zn(O~2~C-CH~3~)~2~(HNPEt~3~)], [Cu~5~(O~2~C-CH~3~)~10~(HNPEt~3~)~2~] und [Cu(O~2~C-CH~3~)~2~(HNPEt~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","9","1500","1506","10.1002/(sici)1521-3749(199909)625:9<1500::aid-zaac1500>3.0.co;2-t","","","","","","","","","","","","","","","","","","","","","has coordinates","177954","2020-10-21","18:00:00",""
"1100514","17.6118","0.0013","40.745","0.002","17.3334","0.0015","90","","91.383","0.01","90","","12434.7","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H70 Cl8 Cu5 N2 O20 P2 -","- C38.5 H70 Cl8 Cu7 N3 O24.5 P2 -","- C308 H560 Cl64 Cu56 N24 O196 P16 -","8","2","","Ackermann, H.; Geiseler, G.; Harms, K.; Leo, R.; Massa, W.; Weller, F.; Dehnicke, K.","Triethylphosphanimin-Komplexe der Acetate von Kupfer(II) und Zink. Kristallstrukturen von [Zn(O~2~C-CH~3~)~2~(HNPEt~3~)], [Cu~5~(O~2~C-CH~3~)~10~(HNPEt~3~)~2~] und [Cu(O~2~C-CH~3~)~2~(HNPEt~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","9","1500","1506","10.1002/(sici)1521-3749(199909)625:9<1500::aid-zaac1500>3.0.co;2-t","","","","","","","","","","","","","","","","","","","","","has coordinates","177954","2020-10-21","18:00:00",""
"1100515","6.9549","0.0008","12.1785","0.001","13.8005","0.0007","90","","96.451","0.007","90","","1161.5","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H38 Cu N2 O4 P2 -","- C32 H76 Cu N4 O8 P4 -","- C64 H152 Cu2 N8 O16 P8 -","2","0.5","","Ackermann, H.; Geiseler, G.; Harms, K.; Leo, R.; Massa, W.; Weller, F.; Dehnicke, K.","Triethylphosphanimin-Komplexe der Acetate von Kupfer(II) und Zink. Kristallstrukturen von [Zn(O~2~C-CH~3~)~2~(HNPEt~3~)], [Cu~5~(O~2~C-CH~3~)~10~(HNPEt~3~)~2~] und [Cu(O~2~C-CH~3~)~2~(HNPEt~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","9","1500","1506","10.1002/(sici)1521-3749(199909)625:9<1500::aid-zaac1500>3.0.co;2-t","","","","","","","","","","","","","","","","","","","","","has coordinates","177954","2020-10-21","18:00:00",""
"1100516","6.376","0.001","18.155","0.002","19.422","0.001","90","","90","","90","","2248.22","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O2 -","- C25 H32 N2 O2 -","- C100 H128 N8 O8 -","4","1","","Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus","Formation of enantiopure β-amino alcohols with a 3-oxa-2,7-diazabicyclo[3.3.0]octane framework","Tetrahedron","1999","55","5","1249","1270","10.1016/s0040-4020(98)01117-x","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100517","7.515","0.001","13.748","0.001","18.678","0.001","90","","90","","90","","1929.74","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","","Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus","Formation of enantiopure β-amino alcohols with a 3-oxa-2,7-diazabicyclo[3.3.0]octane framework","Tetrahedron","1999","55","5","1249","1270","10.1016/s0040-4020(98)01117-x","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100518","19.522","0.002","5.321","0.001","21.728","0.001","90","","102.53","0.01","90","","2203.27","","","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C104 H112 N8 O8 -","4","1","","Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus","Formation of enantiopure β-amino alcohols with a 3-oxa-2,7-diazabicyclo[3.3.0]octane framework","Tetrahedron","1999","55","5","1249","1270","10.1016/s0040-4020(98)01117-x","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100519","29.414","0.002","12.0546","0.0007","29.524","0.003","90","","113.455","0.008","90","","9603.47","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H77 N3 Na O3 Sc Si6 -","- C34.5 H86.5 N3 Na O3 Sc Si6 -","- C276 H692 N24 Na8 O24 Sc8 Si48 -","8","2","","Karl, Marc; Harms, Klaus; Seybert, Gerd; Massa, Werner; Fau, Stefan; Frenking, Gernot; Dehnicke, Kurt","Die Deprotonierung silylierter Amido-Komplexe von Seltenerdelementen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","12","2055","2063","10.1002/(sici)1521-3749(199912)625:12<2055::aid-zaac2055>3.0.co;2-y","","","","","","","","","","","","","","","","","","","","","has coordinates","177982","2020-10-21","18:00:00",""
"1100520","29.4389","0.0012","12.1954","0.0007","29.4429","0.0013","90","","113.372","0.004","90","","9703.24","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H77 N3 Na O3 Si6 Yb -","- C30 H75.5 N3 Na O3 Si6 Yb -","- C240 H604 N24 Na8 O24 Si48 Yb8 -","8","2","","Karl, Marc; Harms, Klaus; Seybert, Gerd; Massa, Werner; Fau, Stefan; Frenking, Gernot; Dehnicke, Kurt","Die Deprotonierung silylierter Amido-Komplexe von Seltenerdelementen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","12","2055","2063","10.1002/(sici)1521-3749(199912)625:12<2055::aid-zaac2055>3.0.co;2-y","","","","","","","","","","","","","","","","","","","","","has coordinates","177982","2020-10-21","18:00:00",""
"1100521","11.7699","0.0009","12.0749","0.0011","16.1429","0.0015","73.634","0.01","82.091","0.01","74.391","0.01","2115.35","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H138 N8 Si12 Yb2 -","- C120 H252 N16 Si24 Yb4 -","- C120 H252 N16 Si24 Yb4 -","1","0.5","","Karl, Marc; Harms, Klaus; Seybert, Gerd; Massa, Werner; Fau, Stefan; Frenking, Gernot; Dehnicke, Kurt","Die Deprotonierung silylierter Amido-Komplexe von Seltenerdelementen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","12","2055","2063","10.1002/(sici)1521-3749(199912)625:12<2055::aid-zaac2055>3.0.co;2-y","","","","","","","","","","","","","","","","","","","","","has coordinates","177982","2020-10-21","18:00:00",""
"1100522","11.2665","0.0008","14.5925","0.0013","17.4113","0.0012","90","","96.461","0.008","90","","2844.35","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H42 N2 Na2 O2 Si2 -","- C24 H48 N2 Na2 O2 Si2 -","- C96 H192 N8 Na8 O8 Si8 -","4","1","","Karl, Marc; Harms, Klaus; Seybert, Gerd; Massa, Werner; Fau, Stefan; Frenking, Gernot; Dehnicke, Kurt","Die Deprotonierung silylierter Amido-Komplexe von Seltenerdelementen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","12","2055","2063","10.1002/(sici)1521-3749(199912)625:12<2055::aid-zaac2055>3.0.co;2-y","","","","","","","","","","","","","","","","","","","","","has coordinates","177982","2020-10-21","18:00:00",""
"1100525","6.555","0.002","7.984","0.002","9.859","0.003","90","","97.15","0.04","90","","511.96","","","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 As2 Ti -","- C26 As8 Ti -","- C52 As16 Ti2 -","2","0.5","","Elschenbroich, Christoph; Kroker, Jörg; Nowotny, Mathias; Behrendt, Andreas; Metz, Bernhard; Harms, Klaus","η^6^-Coordination of Arsenine to Titanium, Vanadium, and Chromium","Organometallics","1999","18","8","1495","1503","10.1021/om9810091","","","","","","","","","","","","","","","","","","","","","has coordinates","183818","2020-10-21","18:00:00",""
"1100526","12.2612","0.0018","12.8839","0.0017","13.2646","0.0019","102.19","0.016","103.921","0.017","91.472","0.017","1981.56","","","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 As2 Ti -","- C10.5 H10.5 As2 Ti -","- C84 H84 As16 Ti8 -","8","4","","Elschenbroich, Christoph; Kroker, Jörg; Nowotny, Mathias; Behrendt, Andreas; Metz, Bernhard; Harms, Klaus","η^6^-Coordination of Arsenine to Titanium, Vanadium, and Chromium","Organometallics","1999","18","8","1495","1503","10.1021/om9810091","","","","","","","","","","","","","","","","","","","","","has coordinates","183818","2020-10-21","18:00:00",""
"1100527","12.116","0.002","12.443","0.001","12.749","0.001","62.66","0.01","62.74","0.01","84.28","0.01","1502.73","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","2","","Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus","Effect of the substitution pattern on the oxidation of the isoxazolidine moiety in bi- and tricyclic compounds","Tetrahedron","1998","54","40","12249","12264","10.1016/s0040-4020(98)00765-0","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100528","33.574","0.003","5.649","0.001","17.127","0.001","90","","110.41","0.01","90","","3044.37","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 N O4 -","- C16 H26 N O5 -","- C128 H208 N8 O40 -","8","1","","Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus","Effect of the substitution pattern on the oxidation of the isoxazolidine moiety in bi- and tricyclic compounds","Tetrahedron","1998","54","40","12249","12264","10.1016/s0040-4020(98)00765-0","","","","","","","","","","","","","","","","","","","","","has coordinates","178053","2020-10-21","18:00:00",""
"1100529","8.32","0.001","7.893","0.001","12.691","0.001","90","","91.07","0.01","90","","833.27","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","","Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus","Effect of the substitution pattern on the oxidation of the isoxazolidine moiety in bi- and tricyclic compounds","Tetrahedron","1998","54","40","12249","12264","10.1016/s0040-4020(98)00765-0","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100530","7.984","0.001","10.045","0.001","18.978","0.002","90","","90","","90","","1522.02","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O3 -","- C16 H25 N O3 -","- C64 H100 N4 O12 -","4","1","","Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus","Effect of the substitution pattern on the oxidation of the isoxazolidine moiety in bi- and tricyclic compounds","Tetrahedron","1998","54","40","12249","12264","10.1016/s0040-4020(98)00765-0","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100531","5.9874","0.001","17.461","0.002","12.965","0.002","90","","95.339","0.016","90","","1349.56","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","Bach, Thorsten; Pelkmann, Christa; Harms, Klaus","Facial diastereoselectivity in the [2+2]-photocycloaddition of chiral vinylglycine-derived N,N-diallyl amines","Tetrahedron Letters","1999","40","11","2103","2104","10.1016/s0040-4039(99)00158-6","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100532","20.878","0.0015","10.9095","0.0005","19.5635","0.0014","90","","115.904","0.007","90","","4008.25","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H60 Cl4 Fe4 N4 P4 -","- C50 H130 Cl8 Fe8 N8 P8 -","- C200 H520 Cl32 Fe32 N32 P32 -","4","0.5","","Riese, Ulrike; Harms, Klaus; Pebler, Jürgen; Dehnicke, Kurt","Phosphaniminato-Cluster von Eisen. Die Kristallstrukturen von [FeCl(NPEt~3~)]~4~, [Fe(C=C-SiMe~3~)(NPEt~3~)]~4~ und [Fe~3~Cl~4~{NP(NMe~2~)~3~}~3~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","5","746","754","10.1002/(sici)1521-3749(199905)625:5<746::aid-zaac746>3.0.co;2-h","","","","","","","","","","","","","","","","","","","","","has coordinates","177977","2020-10-21","18:00:00",""
"1100533","10.532","0.003","13.185","0.004","23.378","0.007","90","","96.33","0.02","90","","3226.58","","","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C44 H96 Fe4 N4 P4 Si4 -","- C88 H192 Fe8 N8 P8 Si8 -","- C176 H384 Fe16 N16 P16 Si16 -","2","0.5","","Riese, Ulrike; Harms, Klaus; Pebler, Jürgen; Dehnicke, Kurt","Phosphaniminato-Cluster von Eisen. Die Kristallstrukturen von [FeCl(NPEt~3~)]~4~, [Fe(C=C-SiMe~3~)(NPEt~3~)]~4~ und [Fe~3~Cl~4~{NP(NMe~2~)~3~}~3~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","5","746","754","10.1002/(sici)1521-3749(199905)625:5<746::aid-zaac746>3.0.co;2-h","","","","","","","","","","","","","","","","","","","","","has coordinates","177977","2020-10-21","18:00:00",""
"1100534","10.1172","0.0013","12.057","0.003","17.312","0.002","91.389","0.008","100.733","0.014","105.794","0.019","1990.21","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H57 Cl4 Fe3 N12 P3 -","- C25 H63 Cl4 Fe3 N12 P3 -","- C50 H126 Cl8 Fe6 N24 P6 -","2","1","","Riese, Ulrike; Harms, Klaus; Pebler, Jürgen; Dehnicke, Kurt","Phosphaniminato-Cluster von Eisen. Die Kristallstrukturen von [FeCl(NPEt~3~)]~4~, [Fe(C=C-SiMe~3~)(NPEt~3~)]~4~ und [Fe~3~Cl~4~{NP(NMe~2~)~3~}~3~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","5","746","754","10.1002/(sici)1521-3749(199905)625:5<746::aid-zaac746>3.0.co;2-h","","","","","","","","","","","","","","","","","","","","","has coordinates","177977","2020-10-21","18:00:00",""
"1100535","9.772","0.001","9.876","0.001","10.106","0.001","90","","117.06","0.01","90","","868.55","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C38 H46 N2 O4 -","2","1","","Bach, Thorsten; Schröder, Jürgen; Brandl, Trixie; Hecht, Jürgen; Harms, Klaus","Facial diastereoselectivity in the photocycloaddition of chiral N-acyl enamines to benzaldehyde","Tetrahedron","1998","54","18","4507","4520","10.1016/s0040-4020(98)00161-6","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100536","6.47","0.001","13.708","0.001","17.352","0.001","90","","90","","90","","1538.96","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Bach, Thorsten; Schröder, Jürgen; Brandl, Trixie; Hecht, Jürgen; Harms, Klaus","Facial diastereoselectivity in the photocycloaddition of chiral N-acyl enamines to benzaldehyde","Tetrahedron","1998","54","18","4507","4520","10.1016/s0040-4020(98)00161-6","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100537","6.373","0.001","14.8","0.001","17.892","0.001","90","","90","","90","","1687.58","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Bach, Thorsten; Schröder, Jürgen; Brandl, Trixie; Hecht, Jürgen; Harms, Klaus","Facial diastereoselectivity in the photocycloaddition of chiral N-acyl enamines to benzaldehyde","Tetrahedron","1998","54","18","4507","4520","10.1016/s0040-4020(98)00161-6","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100538","10.902","0.001","12.062","0.001","12.428","0.001","91.84","0.01","106.6","0.01","99.84","0.01","1537.45","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H48 Cl10 F4 I2 P2 -","- C64 H48 Cl10 F8 I4 P2 -","- C64 H48 Cl10 F8 I4 P2 -","1","0.5","","Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Dehnicke, Kurt","Donor-Akzeptor-Komplexe von Halogenidionen mit 1.4-Diiodtetrafluorbenzol / Donor-Acceptor Complexes of Halide Ions with 1,4-Diiodotetrafluorobenzene","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1999","54","1","77","86","10.1515/znb-1999-0116","","","","","","","","","","","","","","","","","","","","","has coordinates","177130","2020-10-21","18:00:00",""
"1100539","11.297","0.002","11.839","0.001","12.934","0.001","65.52","0.01","65.74","0.01","89.02","0.01","1410.66","","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H44 Br2 Cl4 F4 I2 P2 -","- C62 H44 Br2 Cl4 F8 I4 P2 -","- C62 H44 Br2 Cl4 F8 I4 P2 -","1","0.5","","Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Dehnicke, Kurt","Donor-Akzeptor-Komplexe von Halogenidionen mit 1.4-Diiodtetrafluorbenzol / Donor-Acceptor Complexes of Halide Ions with 1,4-Diiodotetrafluorobenzene","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1999","54","1","77","86","10.1515/znb-1999-0116","","","","","","","","","","","","","","","","","","","","","has coordinates","177130","2020-10-21","18:00:00",""
"1100540","7.148","0.001","24.057","0.003","9.308","0.001","90","","96.38","0.01","90","","1590.69","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Cl F4 I2 N -","- C16 H12 Cl F8 I4 N -","- C64 H48 Cl4 F32 I16 N4 -","4","1","","Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Dehnicke, Kurt","Donor-Akzeptor-Komplexe von Halogenidionen mit 1.4-Diiodtetrafluorbenzol / Donor-Acceptor Complexes of Halide Ions with 1,4-Diiodotetrafluorobenzene","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1999","54","1","77","86","10.1515/znb-1999-0116","","","","","","","","","","","","","","","","","","","","","has coordinates","177130","2020-10-21","18:00:00",""
"1100541","14.008","0.001","16.699","0.002","7.959","0.001","90","","102.81","0.01","90","","1815.43","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Br F4 I2 N2 -","- C12 H15 Br F4 I2 N2 -","- C48 H60 Br4 F16 I8 N8 -","4","1","","Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Dehnicke, Kurt","Donor-Akzeptor-Komplexe von Halogenidionen mit 1.4-Diiodtetrafluorbenzol / Donor-Acceptor Complexes of Halide Ions with 1,4-Diiodotetrafluorobenzene","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1999","54","1","77","86","10.1515/znb-1999-0116","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100542","21.06","0.004","15.668","0.003","24.458","0.004","90","","90","","90","","8070.36","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70 H48 Br2 Cl8 F12 I6 P2 -","- C76 H48 Br2 Cl8 F16 I8 P2 -","- C304 H192 Br8 Cl32 F64 I32 P8 -","4","0.5","","Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Dehnicke, Kurt","Donor-Akzeptor-Komplexe von Halogenidionen mit 1.4-Diiodtetrafluorbenzol / Donor-Acceptor Complexes of Halide Ions with 1,4-Diiodotetrafluorobenzene","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1999","54","1","77","86","10.1515/znb-1999-0116","","","","","","","","","","","","","","","","","","","","","has coordinates","177130","2020-10-21","18:00:00",""
"1100543","11.509","0.001","12.789","0.001","12.929","0.002","65.47","0.01","82.07","0.01","83.62","0.01","1711.62","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H40 F12 I8 P2 -","- C72 H40 F16 I10 P2 -","- C72 H40 F16 I10 P2 -","1","0.5","","Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Dehnicke, Kurt","Donor-Akzeptor-Komplexe von Halogenidionen mit 1.4-Diiodtetrafluorbenzol / Donor-Acceptor Complexes of Halide Ions with 1,4-Diiodotetrafluorobenzene","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1999","54","1","77","86","10.1515/znb-1999-0116","","","","","","","","","","","","","","","","","","","","","has coordinates","177130","2020-10-21","18:00:00",""
"1100544","12.105","0.005","14.29","0.006","24.703","0.012","90","","90","","90","","4273.14","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 F12 I8 N2 -","- C32 H24 F16 I10 N2 -","- C128 H96 F64 I40 N8 -","4","0.5","","Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Dehnicke, Kurt","Donor-Akzeptor-Komplexe von Halogenidionen mit 1.4-Diiodtetrafluorbenzol / Donor-Acceptor Complexes of Halide Ions with 1,4-Diiodotetrafluorobenzene","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1999","54","1","77","86","10.1515/znb-1999-0116","","","","","","","","","","","","","","","","","","","","","has coordinates","177130","2020-10-21","18:00:00",""
"1100545","9.171","0.001","18.282","0.002","19.142","0.002","108.4","0.01","95.72","0.01","90.54","0.01","3027.34","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 Mo P6 -","- C30 H30 Mo P6 -","- C120 H120 Mo4 P24 -","4","2","","Elschenbroich, Christoph; Voss, Steffen; Schiemann, Olav; Lippek, Andrea; Harms, Klaus","η^1^-Coordination of Phosphinine to Chromium, Molybdenum, and Tungsten","Organometallics","1998","17","20","4417","4424","10.1021/om9804879","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100546","9.168","0.0015","18.318","0.002","19.158","0.002","108.367","0.009","95.753","0.01","90.602","0.01","3035.08","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 P6 W -","- C30 H30 P6 W -","- C120 H120 P24 W4 -","4","2","","Elschenbroich, Christoph; Voss, Steffen; Schiemann, Olav; Lippek, Andrea; Harms, Klaus","η^1^-Coordination of Phosphinine to Chromium, Molybdenum, and Tungsten","Organometallics","1998","17","20","4417","4424","10.1021/om9804879","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100547","28.454","0.003","28.454","0.003","11.167","0.002","90","","90","","90","","9041.14","","","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C80 H128 N4 P4 Si4 Zn4 -","- C236 H416 N16 P16 Si16 Zn16 -","- C944 H1664 N64 P64 Si64 Zn64 -","4","0.25","","Krieger, M.; Gould, R. O.; Neumüller, B.; Harms, K.; Dehnicke, K.","Phosphaniminato-Komplexe des Zinks mit Hydrido-, Alkinylo-, Alkenylo- und Amido-Liganden","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","9","1434","1442","10.1002/(sici)1521-3749(199809)624:9<1434::aid-zaac1434>3.0.co;2-7","","","","","","","","","","","","","","","","","","","","","has coordinates","177952","2020-10-21","18:00:00",""
"1100548","11.4239","0.0009","10.9326","0.0009","15.5388","0.0015","90","","97.247","0.011","90","","1925.18","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H44 Cl4 N4 P4 Zn4 -","- C19 H44 Cl4 N4 P4 Zn4 -","- C38 H88 Cl8 N8 P8 Zn8 -","2","1","","Krieger, M.; Gould, R. O.; Neumüller, B.; Harms, K.; Dehnicke, K.","Phosphaniminato-Komplexe des Zinks mit Hydrido-, Alkinylo-, Alkenylo- und Amido-Liganden","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","9","1434","1442","10.1002/(sici)1521-3749(199809)624:9<1434::aid-zaac1434>3.0.co;2-7","","","","","","","","","","","","","","","","","","","","","has coordinates","177952","2020-10-21","18:00:00",""
"1100549","21.53","0.011","9.875","0.006","27.393","0.014","90","","107.62","0.04","90","","5550.76","","","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H72 N4 P4 Si4 Zn4 -","- C32 H72 N4 P4 Si4 Zn4 -","- C128 H288 N16 P16 Si16 Zn16 -","4","0.5","","Krieger, M.; Gould, R. O.; Neumüller, B.; Harms, K.; Dehnicke, K.","Phosphaniminato-Komplexe des Zinks mit Hydrido-, Alkinylo-, Alkenylo- und Amido-Liganden","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","9","1434","1442","10.1002/(sici)1521-3749(199809)624:9<1434::aid-zaac1434>3.0.co;2-7","","","","","","","","","","","","","","","","","","","","","has coordinates","177952","2020-10-21","18:00:00",""
"1100550","21.023","0.002","9.058","0.001","21.817","0.003","90","","92.516","0.01","90","","4150.53","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H66 N4 P2 Si4 Zn2 -","- C48 H132 N8 P4 Si8 Zn4 -","- C192 H528 N32 P16 Si32 Zn16 -","4","0.5","","Krieger, M.; Gould, R. O.; Neumüller, B.; Harms, K.; Dehnicke, K.","Phosphaniminato-Komplexe des Zinks mit Hydrido-, Alkinylo-, Alkenylo- und Amido-Liganden","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","9","1434","1442","10.1002/(sici)1521-3749(199809)624:9<1434::aid-zaac1434>3.0.co;2-7","","","","","","","","","","","","","","","","","","","","","has coordinates","177952","2020-10-21","18:00:00",""
"1100551","11.647","0.002","17.897","0.004","23.513","0.005","90","","90","","90","","4901.2","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H72 N6 P4 Si4 Zn3 -","- C60 H180 N12 P8 Si8 Zn5 -","- C240 H720 N48 P32 Si32 Zn20 -","4","0.5","","Krieger, M.; Gould, R. O.; Neumüller, B.; Harms, K.; Dehnicke, K.","Phosphaniminato-Komplexe des Zinks mit Hydrido-, Alkinylo-, Alkenylo- und Amido-Liganden","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","9","1434","1442","10.1002/(sici)1521-3749(199809)624:9<1434::aid-zaac1434>3.0.co;2-7","","","","","","","","","","","","","","","","","","","","","has coordinates","177952","2020-10-21","18:00:00",""
"1100552","5.9843","0.0004","15.9963","0.0011","21.462","0.002","90","","90","","90","","2054.49","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C108 H116 N4 O8 -","4","1","","Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus","Formation of Chiral N-Oxides from 2-Azabicyclo[3.3.0]octanes","European Journal of Organic Chemistry","1999","1999","5","1249","1252","10.1002/(sici)1099-0690(199905)1999:5<1249::aid-ejoc1249>3.0.co;2-p","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100553","8.882","0.003","8.045","0.0012","8.9151","0.0016","90","","116.865","0.018","90","","568.28","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H21 N O3 -","- C10 H21 N O3 -","- C20 H42 N2 O6 -","2","1","","Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus","Formation of Chiral N-Oxides from 2-Azabicyclo[3.3.0]octanes","European Journal of Organic Chemistry","1999","1999","5","1249","1252","10.1002/(sici)1099-0690(199905)1999:5<1249::aid-ejoc1249>3.0.co;2-p","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100554","9.577","0.001","17.991","0.004","10.827","0.001","90","","112.46","0.01","90","","1723.99","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O3 P Re -","- C18 H15 N O3 P Re -","- C72 H60 N4 O12 P4 Re4 -","4","1","","Schlecht, Sabine; Deubel, Dirk V.; Frenking, Gernot; Geiseler, Gertraud; Harms, Klaus; Magull, Jörg; Dehnicke, Kurt","Phosphaniminato-Komplexe von Rhenium(VII). Synthesen und Kristallstrukturen von [ReO~3~(NPR~3~)] (R = Ph, Et) sowie von [ReO(OSiMe~3~)~3~(Me~3~SiNPEt~3~)]","Zeitschrift für Anorganische und Allgemeine Chemie","1999","625","6","887","891","10.1002/(sici)1521-3749(199906)625:6<887::aid-zaac887>3.0.co;2-s","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100555","8.3","0.001","11.749","0.001","11.465","0.001","90","","95.68","0.01","90","","1112.54","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 N O3 P Re -","- C6 H15 N O3 P Re -","- C24 H60 N4 O12 P4 Re4 -","4","1","","Schlecht, Sabine; Deubel, Dirk V.; Frenking, Gernot; Geiseler, Gertraud; Harms, Klaus; Magull, Jörg; Dehnicke, Kurt","Phosphaniminato-Komplexe von Rhenium(VII). Synthesen und Kristallstrukturen von [ReO~3~(NPR~3~)] (R = Ph, Et) sowie von [ReO(OSiMe~3~)~3~(Me~3~SiNPEt~3~)]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","6","887","891","10.1002/(sici)1521-3749(199906)625:6<887::aid-zaac887>3.0.co;2-s","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100556","11.7748","0.0009","11.9929","0.0009","13.0829","0.001","105.841","0.005","99.654","0.006","110.541","0.005","1591.55","","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H51 N O4 P Re Si4 -","- C18 H51 N O4 P Re Si4 -","- C36 H102 N2 O8 P2 Re2 Si8 -","2","1","","Schlecht, Sabine; Deubel, Dirk V.; Frenking, Gernot; Geiseler, Gertraud; Harms, Klaus; Magull, Jörg; Dehnicke, Kurt","Phosphaniminato-Komplexe von Rhenium(VII). Synthesen und Kristallstrukturen von [ReO~3~(NPR~3~)] (R = Ph, Et) sowie von [ReO(OSiMe~3~)~3~(Me~3~SiNPEt~3~)]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","6","887","891","10.1002/(sici)1521-3749(199906)625:6<887::aid-zaac887>3.0.co;2-s","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100557","21.0503","0.0018","11.958","0.001","7.282","0.001","90","","92.55","0.01","90","","1831.21","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H62 Bi2 F4 N4 P4 -","- C48 H124 Bi4 F8 N8 P8 -","- C96 H248 Bi8 F16 N16 P16 -","2","0.5","","Chitsaz, Soheila; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt","Phosphaniminato-Komplexe von Bismut(III). Die Kristallstrukturen von [BiF~2~(NPEt~3~)(HNPEt~3~)]~2~ und [Bi~2~I(NPPh~3~)~4~]I~3~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","6","939","944","10.1002/(sici)1521-3749(199906)625:6<939::aid-zaac939>3.0.co;2-#","","","","","","","","","","","","","","","","","","","","","has coordinates","177979","2020-10-21","18:00:00",""
"1100558","15.426","0.002","24.091","0.004","21.735","0.005","90","","105.82","0.02","90","","7771.38","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74.5 H65 Bi2 Cl5 I4 N4 P4 -","- C87 H82 Bi2 Cl10 I4 N4 P4 -","- C348 H328 Bi8 Cl40 I16 N16 P16 -","4","1","","Chitsaz, Soheila; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt","Phosphaniminato-Komplexe von Bismut(III). Die Kristallstrukturen von [BiF~2~(NPEt~3~)(HNPEt~3~)]~2~ und [Bi~2~I(NPPh~3~)~4~]I~3~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","6","939","944","10.1002/(sici)1521-3749(199906)625:6<939::aid-zaac939>3.0.co;2-#","","","","","","","","","","","","","","","","","","","","","has coordinates","177979","2020-10-21","18:00:00",""
"1100559","14.2265","0.001","22.3013","0.0009","17.9123","0.0017","90","","109.639","0.007","90","","5352.44","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H32 O3 P2 -","- C31 H32 O3 P2 -","- C248 H256 O24 P16 -","8","1","","Demay, Stéphane; Harms, Klaus; Knochel, Paul","Stereoselective preparation of phosphine oxides via a 2,3-sigmatropic shift of allylic diphenylphosphinites","Tetrahedron Letters","1999","40","27","4981","4984","10.1016/s0040-4039(99)00952-1","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100560","10.832","0.001","11.622","0.001","11.833","0.001","90","","96.88","0.01","90","","1478.92","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H36 O2 P2 -","- C36 H36 O2 P2 -","- C72 H72 O4 P4 -","2","1","","Demay, Stéphane; Harms, Klaus; Knochel, Paul","Stereoselective preparation of phosphine oxides via a 2,3-sigmatropic shift of allylic diphenylphosphinites","Tetrahedron Letters","1999","40","27","4981","4984","10.1016/s0040-4039(99)00952-1","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100561","10.187","0.002","12.329","0.002","12.873","0.002","81.94","0.01","66.61","0.01","71.62","0.01","1408.02","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 Cl3 I P -","- C30 H25 Cl3 I P -","- C60 H50 Cl6 I2 P2 -","2","1","","Grebe, Jutta; Geiseier, Gertraud; Harms, Klaus; Dehnicke, Kurt","Synthese und Kristallstruktur von PPh~4~[PhICl~3~] / Synthesis and Crystal Structure of PPh~4~[PhICl~3~]","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1999","54","1","140","143","10.1515/znb-1999-0126","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100562","14.878","0.001","12.994","0.001","12.597","0.001","90","","90","","90","","2435.31","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H42 N2 Si5 -","- C28 H84 N4 Si9 -","- C112 H336 N16 Si36 -","4","0.5","","Mommertz, Andreas; Geiseier, Gertraud; Harms, Klaus; Dehnicke, Kurt","Kristallstrukturen von Me~2~Si[N(SiMe~3~)~2~]~2~ und [Me~2~Si(NPh)(NHPh)Li·OEt~2~]~2~ / Crystal Structures of Me~2~Si[N(SiMe~3~)~2~]~2~ and [Me~2~Si(NPh)(NHPh)Li·OEt~2~]~2~","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1998","53","9","977","980","10.1515/znb-1998-0908","","","","","","","","","","","","","","","","","","","","","has coordinates","177129","2020-10-21","18:00:00",""
"1100563","10.827","0.003","10.388","0.002","16.413","0.004","90","","91.35","0.003","90","","1845.47","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 Li2 N4 O2 Si2 -","- C72 H108 Li4 N8 O4 Si4 -","- C144 H216 Li8 N16 O8 Si8 -","2","0.5","","Mommertz, Andreas; Geiseier, Gertraud; Harms, Klaus; Dehnicke, Kurt","Kristallstrukturen von Me~2~Si[N(SiMe~3~)~2~]~2~ und [Me~2~Si(NPh)(NHPh)Li·OEt~2~]~2~ / Crystal Structures of Me~2~Si[N(SiMe~3~)~2~]~2~ and [Me~2~Si(NPh)(NHPh)Li·OEt~2~]~2~","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1998","53","9","977","980","10.1515/znb-1998-0908","","","","","","","","","","","","","","","","","","","","","has coordinates","177129","2020-10-21","18:00:00",""
"1100564","14.9985","0.001","16.5396","0.0007","11.5064","0.0007","90","","92.466","0.006","90","","2851.74","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl4 P2 Pt -","- C27 H28 Cl4 P2 Pt -","- C108 H112 Cl16 P8 Pt4 -","4","1","","Elschenbroich, Christoph; Voß, Steffen; Harms, Klaus","Metal Complexes of Heteroarenes, X [1]. η^1^-Coordination of Phosphinine: Synthesis and Structure of cis-Dichloro-bis(2,6-dimethyl-4-phenyl-phosphinine)platinum","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1999","54","2","209","213","10.1515/znb-1999-0209","","","","","","","","","","","","","","","","","","","","","has coordinates","177132","2020-10-21","18:00:00",""
"1100565","10.3868","0.0008","10.7916","0.0007","15.6284","0.0013","90","","106.176","0.008","90","","1682.44","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H18 Br N O2 S -","- C17 H18 Br N O2 S -","- C68 H72 Br4 N4 O8 S4 -","4","2","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100566","9.332","0.002","14.066","0.001","23.767","0.002","94.19","0.01","101.15","0.01","96.89","0.01","3023.88","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H45 F4 I7 N3 P3 -","- C66 H45 F8 I9 N3 P3 -","- C132 H90 F16 I18 N6 P6 -","2","1","","Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt","Domino Effect in the Buildup of N-I-N-I Chains of the N-Iodine(triphenylphosphane)imine","Angewandte Chemie, International Edition","1999","38","1-2","222","225","10.1002/(sici)1521-3773(19990115)38:1/2<222::aid-anie222>3.0.co;2-5","","","","","","","","","","","","","","","","","","","","","has coordinates","177005","2020-10-21","18:00:00",""
"1100567","9.856","0.001","13.461","0.001","16.698","0.001","95.99","0.01","94.87","0.01","97.53","0.01","2173.31","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H32 Cl2 I6 N2 P2 -","- C37 H33 Cl2 I6 N2 P2 -","- C74 H66 Cl4 I12 N4 P4 -","2","1","","Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt","Domino Effect in the Buildup of N-I-N-I Chains of the N-Iodine(triphenylphosphane)imine","Angewandte Chemie, International Edition","1999","38","1-2","222","225","10.1002/(sici)1521-3773(19990115)38:1/2<222::aid-anie222>3.0.co;2-5","","","","","","","","","","","","","","","","","","","","","has coordinates","177005","2020-10-21","18:00:00",""
"1100568","16.16","0.001","24.931","0.002","17.921","0.001","90","","96.54","0.01","90","","7173.12","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 I8 N4 P4 -","- C72 H60 I8 N4 P4 -","- C288 H240 I32 N16 P16 -","4","0.5","","Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt","Domino Effect in the Buildup of N-I-N-I Chains of the N-Iodine(triphenylphosphane)imine","Angewandte Chemie, International Edition","1999","38","1-2","222","225","10.1002/(sici)1521-3773(19990115)38:1/2<222::aid-anie222>3.0.co;2-5","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100569","9.055","0.002","13.424","0.002","15.699","0.003","75.51","0.02","78.26","0.02","85.15","0.02","1807.79","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 O3 Si2 -","- C40 H48 O3 Si2 -","- C80 H96 O6 Si4 -","2","1","","Berninger, Jörn; Krauss, Rolf; Weinig, Hans-Georg; Koert, Ulrich; Ziemer, Burkhard; Harms, Klaus","2,3,6,7-Tetrasubstituted Perhydroanthracenes: Stereoselective Synthesis and Biconformationality Studies","European Journal of Organic Chemistry","1999","1999","4","875","884","10.1002/(sici)1099-0690(199904)1999:4<875::aid-ejoc875>3.0.co;2-#","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100570","10.197","0.002","35.713","0.004","13.51","0.003","90","","98.48","0.01","90","","4866.09","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H66 O5 Si2 -","- C55 H66 O5 Si2 -","- C220 H264 O20 Si8 -","4","1","","Berninger, Jörn; Krauss, Rolf; Weinig, Hans-Georg; Koert, Ulrich; Ziemer, Burkhard; Harms, Klaus","2,3,6,7-Tetrasubstituted Perhydroanthracenes: Stereoselective Synthesis and Biconformationality Studies","European Journal of Organic Chemistry","1999","1999","4","875","884","10.1002/(sici)1099-0690(199904)1999:4<875::aid-ejoc875>3.0.co;2-#","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100571","10.892","0.003","14.457","0.004","29.015","0.008","100.29","0.03","96.06","0.03","90.11","0.03","4469.25","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H39 O6.5 -","- C22 H39 O6.5 -","- C176 H312 O52 -","8","4","","Berninger, Jörn; Krauss, Rolf; Weinig, Hans-Georg; Koert, Ulrich; Ziemer, Burkhard; Harms, Klaus","2,3,6,7-Tetrasubstituted Perhydroanthracenes: Stereoselective Synthesis and Biconformationality Studies","European Journal of Organic Chemistry","1999","1999","4","875","884","10.1002/(sici)1099-0690(199904)1999:4<875::aid-ejoc875>3.0.co;2-#","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100572","13.8165","0.0006","13.8165","0.0006","18.5683","0.001","90","","90","","90","","3544.61","","","","","","","","","","","","","9","P -4 21 c","P -4 2n","114","","","","- C32 H72 Cl8 Cu4 F12 N4 O12 P4 S4 -","- C104 H272 Cl12 Cu16 F12 N16 O12 P16 S4 -","- C208 H544 Cl24 Cu32 F24 N32 O24 P32 S8 -","2","0.25","","Krieger, Matthias; Schlecht, Sabine; Harms, Klaus; Dehnicke, Kurt","Synthese und Kristallstrukturen der Phosphanimin-Komplexe [Cu(μ-HNPEt~3~)]~4~(O~3~S-CF~3~)~4~ und [Pt~2~Me~6~(μ-I)~2~(μ-HNPMe~3~)]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","10","1565","1567","10.1002/(sici)1521-3749(199810)624:10<1565::aid-zaac1565>3.0.co;2-i","","","","","","","","","","","","","","","","","","","","","has coordinates","176950","2020-10-21","18:00:00",""
"1100573","10.0744","0.0019","8.818","0.002","23.882","0.006","90","","90.591","0.019","90","","2121.47","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H30 Cl2 I2 N P Pt2 -","- C10 H30 Cl2 I2 N P Pt2 -","- C40 H120 Cl8 I8 N4 P4 Pt8 -","4","1","","Krieger, Matthias; Schlecht, Sabine; Harms, Klaus; Dehnicke, Kurt","Synthese und Kristallstrukturen der Phosphanimin-Komplexe [Cu(μ-HNPEt~3~)]~4~(O~3~S-CF~3~)~4~ und [Pt~2~Me~6~(μ-I)~2~(μ-HNPMe~3~)]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","10","1565","1567","10.1002/(sici)1521-3749(199810)624:10<1565::aid-zaac1565>3.0.co;2-i","","","","","","","","","","","","","","","","","","","","","has coordinates","176950","2020-10-21","18:00:00",""
"1100574","8.6362","0.0015","8.957","0.002","13.116","0.002","73.365","0.019","73.53","0.02","76.594","0.017","919.61","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H64 N4 O2 Si2 Ti2 -","- C62 H146 N8 O4 Si4 Ti4 -","- C62 H146 N8 O4 Si4 Ti4 -","1","0.5","","Mommertz, Andreas; Leo, Roland; Massa, Werner; Harms, Klaus; Dehnicke, Kurt","Synthese eines Titana-Oxacyclohexanringes durch kontrollierte Ringöffnung von Tetrahydrofuran. Kristallstrukturen von [Ti(CH~2~)~4~O{Me~2~Si(NBut)~2~}]~2~, [TiCl{Me~2~Si(NBut)~2~}]~3~(μ~3~-O)(μ~3~-Cl) und [Li~2~(THF)~3~{Me~2~Si(NBut)~2~}]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","10","1647","1652","10.1002/(sici)1521-3749(199810)624:10<1647::aid-zaac1647>3.0.co;2-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176961","2020-10-21","18:00:00",""
"1100575","10.8627","0.0015","18.8232","0.0019","11.577","0.0009","90","","93.63","0.006","90","","2362.41","","","","","","","","","","","","","7","I 1 m 1","I -2y","8","","","","- C30 H72 Cl4 N6 O Si3 Ti3 -","- C63 H164 Cl6 N10 O Si5 Ti5 -","- C126 H328 Cl12 N20 O2 Si10 Ti10 -","2","0.5","","Mommertz, Andreas; Leo, Roland; Massa, Werner; Harms, Klaus; Dehnicke, Kurt","Synthese eines Titana-Oxacyclohexanringes durch kontrollierte Ringöffnung von Tetrahydrofuran. Kristallstrukturen von [Ti(CH~2~)~4~O{Me~2~Si(NBut)~2~}]~2~, [TiCl{Me~2~Si(NBut)~2~}]~3~(μ~3~-O)(μ~3~-Cl) und [Li~2~(THF)~3~{Me~2~Si(NBut)~2~}]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","10","1647","1652","10.1002/(sici)1521-3749(199810)624:10<1647::aid-zaac1647>3.0.co;2-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176961","2020-10-21","18:00:00",""
"1100576","11.509","0.0008","15.5891","0.0013","16.4206","0.0004","90","","95.697","0.005","90","","2931.55","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H48 Li2 N2 O3 Si -","- C58 H130 Li4 N4 O5 Si -","- C232 H520 Li16 N16 O20 Si4 -","4","0.5","","Mommertz, Andreas; Leo, Roland; Massa, Werner; Harms, Klaus; Dehnicke, Kurt","Synthese eines Titana-Oxacyclohexanringes durch kontrollierte Ringöffnung von Tetrahydrofuran. Kristallstrukturen von [Ti(CH~2~)~4~O{Me~2~Si(NBut)~2~}]~2~, [TiCl{Me~2~Si(NBut)~2~}]~3~(μ~3~-O)(μ~3~-Cl) und [Li~2~(THF)~3~{Me~2~Si(NBut)~2~}]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","10","1647","1652","10.1002/(sici)1521-3749(199810)624:10<1647::aid-zaac1647>3.0.co;2-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176961","2020-10-21","18:00:00",""
"1100577","22.753","0.002","22.2736","0.0014","23.844","0.002","90","","94.925","0.015","90","","12039.3","","","","","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C37 H95 N3 Na O9 Si7 Sm -","- C37 H95 N3 Na O9 Si7 Sm -","- C296 H760 N24 Na8 O72 Si56 Sm8 -","8","1","","Karl, M.; Seybert, G.; Massa, W.; Harms, K.; Agarwal, S.; Maleika, R.; Stelter, W.; Greiner, A.; Neumüller, W.; Heitz, B.; Dehnicke, K.","Amidometallate von Seltenerdelementen. Synthese und Kristallstrukturen von [Na(12-Krone-4)~2~][M{N(SiMe~3~)~2~}~3~(OSiMe~3~)] (M = Sm, Yb), [Na(THF)~3~Sm{N(SiMe~3~)~2~}~3~(C≡C-Ph)], [Na(THF)~6~][Lu~2~(μ-NH~2~)(μ-NSiMe~3~){N(SiMe~3~)~2~}~4~] sowie von [NaN(SiMe~3~)~2~(THF)]~2~. Anwendungen der Seltenerdkomplexe als Polymerisationskatalysatoren","Zeitschrift für anorganische und allgemeine Chemie","1999","625","8","1301","1309","10.1002/(sici)1521-3749(199908)625:8<1301::aid-zaac1301>3.0.co;2-0","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100578","22.416","0.0016","22.2972","0.0015","23.7339","0.0013","90","","95.441","0.008","90","","11809.1","","","","","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C37 H95 N3 Na O9 Si7 Yb -","- C37 H95 N3 Na O9 Si7 Yb -","- C296 H760 N24 Na8 O72 Si56 Yb8 -","8","1","","Karl, M.; Seybert, G.; Massa, W.; Harms, K.; Agarwal, S.; Maleika, R.; Stelter, W.; Greiner, A.; Neumüller, W.; Heitz, B.; Dehnicke, K.","Amidometallate von Seltenerdelementen. Synthese und Kristallstrukturen von [Na(12-Krone-4)~2~][M{N(SiMe~3~)~2~}~3~(OSiMe~3~)] (M = Sm, Yb), [Na(THF)~3~Sm{N(SiMe~3~)~2~}~3~(C≡C-Ph)], [Na(THF)~6~][Lu~2~(μ-NH~2~)(μ-NSiMe~3~){N(SiMe~3~)~2~}~4~] sowie von [NaN(SiMe~3~)~2~(THF)]~2~. Anwendungen der Seltenerdkomplexe als Polymerisationskatalysatoren","Zeitschrift für anorganische und allgemeine Chemie","1999","625","8","1301","1309","10.1002/(sici)1521-3749(199908)625:8<1301::aid-zaac1301>3.0.co;2-0","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100579","13.4447","0.001","23.2529","0.0014","17.3216","0.0014","90","","93.549","0.009","90","","5404.84","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H83 N3 Na O3 Si6 Sm -","- C38 H83 N3 Na O3 Si6 Sm -","- C152 H332 N12 Na4 O12 Si24 Sm4 -","4","1","","Karl, M.; Seybert, G.; Massa, W.; Harms, K.; Agarwal, S.; Maleika, R.; Stelter, W.; Greiner, A.; Neumüller, W.; Heitz, B.; Dehnicke, K.","Amidometallate von Seltenerdelementen. Synthese und Kristallstrukturen von [Na(12-Krone-4)~2~][M{N(SiMe~3~)~2~}~3~(OSiMe~3~)] (M = Sm, Yb), [Na(THF)~3~Sm{N(SiMe~3~)~2~}~3~(C≡C-Ph)], [Na(THF)~6~][Lu~2~(μ-NH~2~)(μ-NSiMe~3~){N(SiMe~3~)~2~}~4~] sowie von [NaN(SiMe~3~)~2~(THF)]~2~. Anwendungen der Seltenerdkomplexe als Polymerisationskatalysatoren","Zeitschrift für anorganische und allgemeine Chemie","1999","625","8","1301","1309","10.1002/(sici)1521-3749(199908)625:8<1301::aid-zaac1301>3.0.co;2-0","","","","","","","","","","","","","","","","","","","","","has coordinates","178218","2020-10-21","18:00:00",""
"1100580","15.423","0.002","19.946","0.004","26.039","0.006","90","","90","","90","","8010.3","","","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H131 Lu2 N6 Na O6 Si9 -","- C51 H131 Lu2 N6 Na O6 Si9 -","- C204 H524 Lu8 N24 Na4 O24 Si36 -","4","1","","Karl, M.; Seybert, G.; Massa, W.; Harms, K.; Agarwal, S.; Maleika, R.; Stelter, W.; Greiner, A.; Neumüller, W.; Heitz, B.; Dehnicke, K.","Amidometallate von Seltenerdelementen. Synthese und Kristallstrukturen von [Na(12-Krone-4)~2~][M{N(SiMe~3~)~2~}~3~(OSiMe~3~)] (M = Sm, Yb), [Na(THF)~3~Sm{N(SiMe~3~)~2~}~3~(C≡C-Ph)], [Na(THF)~6~][Lu~2~(μ-NH~2~)(μ-NSiMe~3~){N(SiMe~3~)~2~}~4~] sowie von [NaN(SiMe~3~)~2~(THF)]~2~. Anwendungen der Seltenerdkomplexe als Polymerisationskatalysatoren","Zeitschrift für anorganische und allgemeine Chemie","1999","625","8","1301","1309","10.1002/(sici)1521-3749(199908)625:8<1301::aid-zaac1301>3.0.co;2-0","","","","","","","","","","","","","","","","","","","","","has coordinates","178218","2020-10-21","18:00:00",""
"1100581","9.03","0.001","10.465","0.001","10.558","0.001","110.03","0.01","112.91","0.01","96.8","0.01","826.09","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H52 N2 Na2 O2 Si4 -","- C52 H140 N4 Na4 O4 Si8 -","- C52 H140 N4 Na4 O4 Si8 -","1","0.5","","Karl, M.; Seybert, G.; Massa, W.; Harms, K.; Agarwal, S.; Maleika, R.; Stelter, W.; Greiner, A.; Neumüller, W.; Heitz, B.; Dehnicke, K.","Amidometallate von Seltenerdelementen. Synthese und Kristallstrukturen von [Na(12-Krone-4)~2~][M{N(SiMe~3~)~2~}~3~(OSiMe~3~)] (M = Sm, Yb), [Na(THF)~3~Sm{N(SiMe~3~)~2~}~3~(C≡C-Ph)], [Na(THF)~6~][Lu~2~(μ-NH~2~)(μ-NSiMe~3~){N(SiMe~3~)~2~}~4~] sowie von [NaN(SiMe~3~)~2~(THF)]~2~. Anwendungen der Seltenerdkomplexe als Polymerisationskatalysatoren","Zeitschrift für anorganische und allgemeine Chemie","1999","625","8","1301","1309","10.1002/(sici)1521-3749(199908)625:8<1301::aid-zaac1301>3.0.co;2-0","","","","","","","","","","","","","","","","","","","","","has coordinates","178218","2020-10-21","18:00:00",""
"1100582","11.444","0.001","6.006","0.001","18.591","0.001","90","","91.674","0.01","90","","1277.26","","","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C26 H34 N2 O7 -","- C52 H74 N4 O15 -","- C104 H148 N8 O30 -","2","0.5","","Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus","Cycloadducts from highly functionalized nitrones and oximes as ligands in the enantioselective addition of diethylzinc to benzaldehyde","Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999)","1998","","22","3717","3724","10.1039/a806744i","","","","","","","","","","","","","","","","","","","","","has coordinates","177461","2020-10-21","18:00:00",""
"1100583","5.968","0.001","8.448","0.001","21.719","0.001","90","","90","","90","","1095.02","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C40 H64 N8 O16 -","4","1","","Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus","Cycloadducts from highly functionalized nitrones and oximes as ligands in the enantioselective addition of diethylzinc to benzaldehyde","Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999)","1998","","22","3717","3724","10.1039/a806744i","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100584","8.145","0.001","11.17","0.001","13.241","0.001","105.19","0.01","106.46","0.01","101.38","0.01","1065.85","0.18","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C48 H60 N4 O10 -","2","1","","Bach, Thorsten; Bergmann, Hermann; Harms, Klaus","High Facial Diastereoselectivity in the Photocycloaddition of a Chiral Aromatic Aldehyde and an Enamide Induced by Intermolecular Hydrogen Bonding","Journal of the American Chemical Society","1999","121","","10650","10651","10.1021/ja992209m","","","1.54178","CuKα","","0.0745","0.0483","","","0.1135","0.127","","","","","","1.047","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100585","10.5303","0.0004","11.7446","0.0008","14.8819","0.0006","90","","101.617","0.004","90","","1802.8","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N O2 -","- C24 H34 N O2 -","- C96 H136 N4 O8 -","4","1","","Bach, Thorsten; Schröder, Jürgen; Harms, Klaus","Diastereoselective photocycloaddition of an axial chiral enamide","Tetrahedron Letters","1999","40","51","9003","9004","10.1016/s0040-4039(99)01933-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176945","2020-10-21","18:00:00",""
"1100586","18.388","0.007","15.367","0.003","18.609","0.005","90","","100.33","0.03","90","","5173.08","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H71 Br3 Mg2 O6 Zn -","- C60 H97 Br3 Mg2 O6 Zn -","- C240 H388 Br12 Mg8 O24 Zn4 -","4","1","","Krieger, Matthias; Geiseler, Gertraud; Harms, Klaus; Merle, Jan; Massa, Werner; Dehnicke, Kurt","Die Kristallstrukturen der Triarylzinkate [Mg~2~Br~3~(THF)~6~][ZnPh~3~] und [MgBr(THF)~5~][ZnMes~3~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","9","1387","1388","10.1002/(sici)1521-3749(199809)624:9<1387::aid-zaac1387>3.0.co;2-m","","","","","","","","","","","","","","","","","","","","","has coordinates","177973","2020-10-21","18:00:00",""
"1100587","19.8876","0.001","20.0341","0.001","23.7074","0.001","90","","90","","90","","9445.74","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H73 Br Mg O5 Zn -","- C47 H72 Br Mg O5 Zn -","- C376 H576 Br8 Mg8 O40 Zn8 -","8","1","","Krieger, Matthias; Geiseler, Gertraud; Harms, Klaus; Merle, Jan; Massa, Werner; Dehnicke, Kurt","Die Kristallstrukturen der Triarylzinkate [Mg~2~Br~3~(THF)~6~][ZnPh~3~] und [MgBr(THF)~5~][ZnMes~3~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","9","1387","1388","10.1002/(sici)1521-3749(199809)624:9<1387::aid-zaac1387>3.0.co;2-m","","","","","","","","","","","","","","","","","","","","","has coordinates","177973","2020-10-21","18:00:00",""
"1100588","10.667","0.002","29.67","0.004","15.9184","0.0019","90","","90.768","0.011","90","","5037.56","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 S Sn -","- C26 H38 S Sn -","- C208 H304 S8 Sn8 -","8","2","","Hoffmann, Reinhard W.; Koberstein, Ralf; Harms, Klaus","Chiral organometallic reagents. Part XXIII. On the stereochemistry of the carbolithiation reaction of vinyl sulfides","Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999)","1999","","2","183","192","10.1039/a808116f","","","","","","","","","","","","","","","","","","","","","has coordinates","177446","2020-10-21","18:00:00",""
"1100589","39.963","0.004","6.056","0.001","18.185","0.002","90","","112.21","0.01","90","","4074.52","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 S -","- C24 H32 S -","- C192 H256 S8 -","8","1","","Hoffmann, Reinhard W.; Koberstein, Ralf; Harms, Klaus","Chiral organometallic reagents. Part XXIII. On the stereochemistry of the carbolithiation reaction of vinyl sulfides","Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999)","1999","","2","183","192","10.1039/a808116f","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100590","10.621","0.001","10.918","0.001","11.842","0.001","77.56","0.01","67.2","0.01","81.25","0.01","1232.58","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H36 O S -","- C30 H36 O S -","- C60 H72 O2 S2 -","2","1","","Hoffmann, Reinhard W.; Koberstein, Ralf; Harms, Klaus","Chiral organometallic reagents. Part XXIII. On the stereochemistry of the carbolithiation reaction of vinyl sulfides","Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999)","1999","","2","183","192","10.1039/a808116f","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100591","13.613","0.001","16.073","0.001","22.718","0.001","90","","90","","90","","4970.74","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H36 O S -","- C30 H36 O S -","- C240 H288 O8 S8 -","8","1","","Hoffmann, Reinhard W.; Koberstein, Ralf; Harms, Klaus","Chiral organometallic reagents. Part XXIII. On the stereochemistry of the carbolithiation reaction of vinyl sulfides","Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999)","1999","","2","183","192","10.1039/a808116f","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100592","9.7666","0.0009","11.4985","0.0011","11.5003","0.0011","91.259","0.011","110.611","0.011","94.302","0.011","1203.81","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H33 B V -","- C30 H36 B V -","- C60 H72 B2 V2 -","2","1","","Elschenbroich, Christoph; Wolf, Matthias; Burghaus, Olaf; Harms, Klaus; Pebler, Jürgen","The Mono-, Di-, and Tri([5]trovacenyl)boranes: A Study of Intermetallic Communication Across an sp^2^-Hybridized Boron Atom","European Journal of Inorganic Chemistry","1999","1999","12","2173","2185","10.1002/(sici)1099-0682(199912)1999:12<2173::aid-ejic2173>3.0.co;2-0","","","","","","","","","","","","","","","","","","","","","has coordinates","177587","2020-10-21","18:00:00",""
"1100593","10.1842","0.0019","8.9716","0.0013","14.35","0.002","90","","96.139","0.009","90","","1303.62","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H33 B V2 -","- C33 H33 B V2 -","- C66 H66 B2 V4 -","2","1","","Elschenbroich, Christoph; Wolf, Matthias; Burghaus, Olaf; Harms, Klaus; Pebler, Jürgen","The Mono-, Di-, and Tri([5]trovacenyl)boranes: A Study of Intermetallic Communication Across an sp^2^-Hybridized Boron Atom","European Journal of Inorganic Chemistry","1999","1999","12","2173","2185","10.1002/(sici)1099-0682(199912)1999:12<2173::aid-ejic2173>3.0.co;2-0","","","","","","","","","","","","","","","","","","","","","has coordinates","177587","2020-10-21","18:00:00",""
"1100594","7.796","0.002","12.429","0.003","14.599","0.006","98.94","0.03","94.67","0.03","93.15","0.02","1389.48","","","","","","","","","","","","","4","P 1","P 1","1","","","","- C36 H33 B V3 -","- C36 H33 B V3 -","- C72 H66 B2 V6 -","2","2","","Elschenbroich, Christoph; Wolf, Matthias; Burghaus, Olaf; Harms, Klaus; Pebler, Jürgen","The Mono-, Di-, and Tri([5]trovacenyl)boranes: A Study of Intermetallic Communication Across an sp^2^-Hybridized Boron Atom","European Journal of Inorganic Chemistry","1999","1999","12","2173","2185","10.1002/(sici)1099-0682(199912)1999:12<2173::aid-ejic2173>3.0.co;2-0","","","","","","","","","","","","","","","","","","","","","has coordinates","177587","2020-10-21","18:00:00",""
"1100595","10.447","0.002","8.089","0.0012","10.911","0.002","90","","102.25","0.03","90","","901.05","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 V2 -","- C48 H44 V4 -","- C96 H88 V8 -","2","0.5","","Elschenbroich, Christoph; Schiemann, Olav; Burghaus, Olaf; Harms, Klaus; Pebler, Jürgen","[5-5]Bitrovacene, (μ-η^5^:η^5^-Fulvalenediyl)bis[(η^7^-cycloheptatrienyl)vanadium]: Synthesis, Structure, and Intermetallic Communication","Organometallics","1999","18","17","3273","3277","10.1021/om9902232","","","","","","","","","","","","","","","","","","","","","has coordinates","176888","2020-10-21","18:00:00",""
"1100596","10.768","0.003","7.851","0.002","16.189","0.006","90","","97.53","0.03","90","","1356.81","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 V -","- C18 H16 V -","- C72 H64 V4 -","4","2","","Elschenbroich, Christoph; Schiemann, Olav; Burghaus, Olaf; Harms, Klaus; Pebler, Jürgen","[5-5]Bitrovacene, (μ-η^5^:η^5^-Fulvalenediyl)bis[(η^7^-cycloheptatrienyl)vanadium]: Synthesis, Structure, and Intermetallic Communication","Organometallics","1999","18","17","3273","3277","10.1021/om9902232","","","","","","","","","","","","","","","","","","","","","has coordinates","176888","2020-10-21","18:00:00",""
"1100597","27.372","0.006","19.889","0.004","28.579","0.006","90","","90","","90","","15558.5","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H84 N3 P3 Y2 -","- C90 H60 N3 P3 Y2 -","- C720 H480 N24 P24 Y16 -","8","1","","Anfang, S.; Harms, K.; Weller, F.; Borgmeier, O.; Lueken, H.; Schilder, H.; Dehnicke, K.","Phosphaniminato-Komplexe Seltener Erden. Synthese und Kristallstrukturen von [M~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~ mit M = Y, Dy und Er. Magnetische Eigenschaften von [Dy~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","1","159","166","10.1002/(sici)1521-3749(199801)624:1<159::aid-zaac159>3.0.co;2-z","","","","","","","","","","","","","","","","","","","","","has coordinates","177949","2020-10-21","18:00:00",""
"1100598","27.35","0.003","19.872","0.002","28.578","0.004","90","","90","","90","","15532.1","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H84 Dy2 N3 P3 -","- C90 H84 Dy2 N3 P3 -","- C720 H672 Dy16 N24 P24 -","8","1","","Anfang, S.; Harms, K.; Weller, F.; Borgmeier, O.; Lueken, H.; Schilder, H.; Dehnicke, K.","Phosphaniminato-Komplexe Seltener Erden. Synthese und Kristallstrukturen von [M~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~ mit M = Y, Dy und Er. Magnetische Eigenschaften von [Dy~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","1","159","166","10.1002/(sici)1521-3749(199801)624:1<159::aid-zaac159>3.0.co;2-z","","","","","","","","","","","","","","","","","","","","","has coordinates","177949","2020-10-21","18:00:00",""
"1100599","27.333","0.007","19.811","0.008","28.511","0.008","90","","90","","90","","15438.5","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H84 Er2 N3 P3 -","- C90 H84 Er2 N3 P3 -","- C720 H672 Er16 N24 P24 -","8","1","","Anfang, S.; Harms, K.; Weller, F.; Borgmeier, O.; Lueken, H.; Schilder, H.; Dehnicke, K.","Phosphaniminato-Komplexe Seltener Erden. Synthese und Kristallstrukturen von [M~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~ mit M = Y, Dy und Er. Magnetische Eigenschaften von [Dy~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","1","159","166","10.1002/(sici)1521-3749(199801)624:1<159::aid-zaac159>3.0.co;2-z","","","","","","","","","","","","","","","","","","","","","has coordinates","177949","2020-10-21","18:00:00",""
"1100600","11.007","0.003","10.988","0.003","18.528","0.002","90","","90.57","0.02","90","","2240.8","0.9","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H62 Cd4 Cl6 N4 P4 -","- C25 H62 Cd4 Cl6 N4 P4 -","- C50 H124 Cd8 Cl12 N8 P8 -","2","1","","Harms, Klaus; Merle, Jan; Maichle-Mössmer, Cäciliä; Massa, Werner; Krieger, Matthias","Heterocubane Phosphoraniminato Complexes of Cadmium","Inorganic Chemistry","1998","37","5","1099","1104","10.1021/ic9710364","","","0.71073","","","0.0582","0.0579","","0.1431","0.1429","","","","1.331","1.337","1.337","","","","","has coordinates","177996","2020-10-21","18:00:00",""
"1100601","21.601","0.003","11.942","0.002","23.55","0.003","90","","116.654","0.012","90","","5429.4","1.4","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H76 Br4 Cd4 N4 P4 -","- C38 H76 Br4 Cd4 N4 P4 -","- C152 H304 Br16 Cd16 N16 P16 -","4","1","","Harms, Klaus; Merle, Jan; Maichle-Mössmer, Cäciliä; Massa, Werner; Krieger, Matthias","Heterocubane Phosphoraniminato Complexes of Cadmium","Inorganic Chemistry","1998","37","5","1099","1104","10.1021/ic9710364","","","0.71073","","","0.1536","0.0654","","0.1138","0.0912","","","","1.021","1.142","1.142","","","","","has coordinates,has disorder","177996","2020-10-21","18:00:00",""
"1100602","17.842","0.002","17.842","0.002","17.29","0.003","90","","90","","120","","4766.6","1.1","223","2","223","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- C45 H84 Cd4 I4 N4 P4 -","- C45 H84 Cd4 I4 N4 P4 -","- C135 H252 Cd12 I12 N12 P12 -","3","0.166667","","Harms, Klaus; Merle, Jan; Maichle-Mössmer, Cäciliä; Massa, Werner; Krieger, Matthias","Heterocubane Phosphoraniminato Complexes of Cadmium","Inorganic Chemistry","1998","37","5","1099","1104","10.1021/ic9710364","","","0.71073","","","0.04","0.0398","","","0.0971","0.0972","","","","","","1.177","","","","has coordinates","177996","2020-10-21","18:00:00",""
"1100603","19.7939","0.0012","10.5997","0.0015","32.094","0.002","90","","107.512","0.007","90","","6421.5","1.1","213","2","213","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C44 H96 Cd4 N4 P4 Si4 -","- C44 H96 Cd4 N4 P4 Si4 -","- C176 H384 Cd16 N16 P16 Si16 -","4","0.5","","Harms, Klaus; Merle, Jan; Maichle-Mössmer, Cäciliä; Massa, Werner; Krieger, Matthias","Heterocubane Phosphoraniminato Complexes of Cadmium","Inorganic Chemistry","1998","37","5","1099","1104","10.1021/ic9710364","","","0.71069","","","0.0711","0.0364","","0.0856","0.0761","","","","0.866","0.989","0.989","","","","","has coordinates,has disorder","177996","2020-10-21","18:00:00",""
"1100604","20.111","0.009","11.9913","0.0008","20.655","0.01","90","","111.44","0.02","90","","4638.5","3","203","2","203","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H57 Cd4 I4 N4 O P3 Si -","- C23 H57 Cd4 I4 N4 O P3 Si -","- C92 H228 Cd16 I16 N16 O4 P12 Si4 -","4","1","","Harms, Klaus; Merle, Jan; Maichle-Mössmer, Cäciliä; Massa, Werner; Krieger, Matthias","Heterocubane Phosphoraniminato Complexes of Cadmium","Inorganic Chemistry","1998","37","5","1099","1104","10.1021/ic9710364","","","0.7093","","","0.0617","0.0385","","0.0903","0.0813","","","","1.038","1.066","1.066","","","","","has coordinates,has disorder","177996","2020-10-21","18:00:00",""
"1100605","12.0874","0.001","14.979","0.0011","19.4176","0.0016","90","","91.095","0.01","90","","3515.05","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H98 Cu2 Li4 N4 O8 -","- C44 H98 Cu4 Li4 N4 O8 -","- C176 H392 Cu16 Li16 N16 O32 -","4","1","","Boche, Gernot; Bosold, Ferdinand; Marsch, Michael; Harms, Klaus","The Crystal Structures of a Lower Order and a ""Higher Order"" Cyanocuprate: [tBuCu(CN)Li(OEt~2~)~2~]~∞~ and [tBuCutBu{Li(thf)(pmdeta)}~2~CN]","Angewandte Chemie, International Edition","1998","37","12","1684","1686","10.1002/(sici)1521-3773(19980703)37:12<1684::aid-anie1684>3.0.co;2-2","","","","","","","","","","","","","","","","","","","","","has coordinates","177972","2020-10-21","18:00:00",""
"1100606","9.1693","0.0008","14.9849","0.0009","16.6183","0.0016","90","","100.95","0.011","90","","2241.8","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H80 Cu Li2 N7 O2 -","- C76 H178 Cu Li4 N16 O4 -","- C152 H356 Cu2 Li8 N32 O8 -","2","0.5","","Boche, Gernot; Bosold, Ferdinand; Marsch, Michael; Harms, Klaus","The Crystal Structures of a Lower Order and a ""Higher Order"" Cyanocuprate: [tBuCu(CN)Li(OEt~2~)~2~]~∞~ and [tBuCutBu{Li(thf)(pmdeta)}~2~CN]","Angewandte Chemie, International Edition","1998","37","12","1684","1686","10.1002/(sici)1521-3773(19980703)37:12<1684::aid-anie1684>3.0.co;2-2","","","","","","","","","","","","","","","","","","","","","has coordinates","177972","2020-10-21","18:00:00",""
"1100607","22.786","0.002","19.874","0.002","14.373","0.001","90","","97.67","0.01","90","","6450.57","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H48 B3 I3 N3 P3 -","- C22.5 H60.5 B3 I3 N3 P3 -","- C180 H484 B24 I24 N24 P24 -","8","2","","Möhlen, Michael; Neumüller, Bernhard; Harms, Klaus; Krautscheid, Harald; Fenske, Dieter; Diedenhofen, Michael; Frenking, Gernot; Dehnicke, Kurt","Tri(phosphorano)borazinium-Ionen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","7","1105","1110","10.1002/(sici)1521-3749(199807)624:7<1105::aid-zaac1105>3.0.co;2-t","","","","","","","","","","","","","","","","","","","","","has coordinates","177971","2020-10-21","18:00:00",""
"1100608","17.69","0.002","7.9335","0.0007","22.382","0.003","90","","90.671","0.016","90","","3140.96","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H49 B3 I2 N3 P3 -","- C18 H49 B3 I2 N3 P3 -","- C72 H196 B12 I8 N12 P12 -","4","1","","Möhlen, Michael; Neumüller, Bernhard; Harms, Klaus; Krautscheid, Harald; Fenske, Dieter; Diedenhofen, Michael; Frenking, Gernot; Dehnicke, Kurt","Tri(phosphorano)borazinium-Ionen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","7","1105","1110","10.1002/(sici)1521-3749(199807)624:7<1105::aid-zaac1105>3.0.co;2-t","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100609","12.546","0.004","14.113","0.005","20.899","0.009","90","","90","","90","","3700.41","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H54 B3 I3 N5 P3 -","- C22 H54 B3 I3 N5 P3 -","- C88 H216 B12 I12 N20 P12 -","4","1","","Möhlen, Michael; Neumüller, Bernhard; Harms, Klaus; Krautscheid, Harald; Fenske, Dieter; Diedenhofen, Michael; Frenking, Gernot; Dehnicke, Kurt","Tri(phosphorano)borazinium-Ionen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","7","1105","1110","10.1002/(sici)1521-3749(199807)624:7<1105::aid-zaac1105>3.0.co;2-t","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100610","14.194","0.001","29.539","0.003","27.23","0.002","90","","93.18","0.01","90","","11399.3","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 H130 Li6 N6 O5 P6 -","- C128 H130 Li6 N6 O5 P6 -","- C512 H520 Li24 N24 O20 P24 -","4","1","","Anfang, S.; Seybert, G.; Harms, K.; Geiseler, G.; Massa, W.; Dehnicke, K.","Reaktionen von LiNPPh~3~ mit den Cyclooctatetraenid-Komplexen [Ln(C~8~H~8~)Cl(THF)~2~]~2~ von Cer und Samarium. Die Kristallstrukturen von [LiNPPh~3~]~6~, [Ln(C~8~H~8~)Li~3~Cl~2~(NPPh~3~)~2~(THF)~3~] (Ln = Ce, Sm) und [Li(THF)~4~][Sm(C~8~H~8~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","7","1187","1192","10.1002/(sici)1521-3749(199807)624:7<1187::aid-zaac1187>3.0.co;2-1","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100611","22.2109","0.0017","21.43","0.002","31.644","0.003","90","","98.887","0.008","90","","14881.1","","","","","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C68 H86 Ce Cl2 Li3 N2 O6 P2 -","- C71 H72 Ce Cl2 Li3 N2 O7 P2 -","- C568 H576 Ce8 Cl16 Li24 N16 O56 P16 -","8","1","","Anfang, S.; Seybert, G.; Harms, K.; Geiseler, G.; Massa, W.; Dehnicke, K.","Reaktionen von LiNPPh~3~ mit den Cyclooctatetraenid-Komplexen [Ln(C~8~H~8~)Cl(THF)~2~]~2~ von Cer und Samarium. Die Kristallstrukturen von [LiNPPh~3~]~6~, [Ln(C~8~H~8~)Li~3~Cl~2~(NPPh~3~)~2~(THF)~3~] (Ln = Ce, Sm) und [Li(THF)~4~][Sm(C~8~H~8~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","7","1187","1192","10.1002/(sici)1521-3749(199807)624:7<1187::aid-zaac1187>3.0.co;2-1","","","","","","","","","","","","","","","","","","","","","has coordinates","177950","2020-10-21","18:00:00",""
"1100612","22.099","0.002","21.4538","0.0014","31.526","0.003","90","","98.881","0.011","90","","14767.5","","","","","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C68 H86 Cl2 Li3 N2 O6 P2 Sm -","- C58 H66 Cl2 Li3 N2 O3 P2 Sm -","- C464 H528 Cl16 Li24 N16 O24 P16 Sm8 -","8","1","","Anfang, S.; Seybert, G.; Harms, K.; Geiseler, G.; Massa, W.; Dehnicke, K.","Reaktionen von LiNPPh~3~ mit den Cyclooctatetraenid-Komplexen [Ln(C~8~H~8~)Cl(THF)~2~]~2~ von Cer und Samarium. Die Kristallstrukturen von [LiNPPh~3~]~6~, [Ln(C~8~H~8~)Li~3~Cl~2~(NPPh~3~)~2~(THF)~3~] (Ln = Ce, Sm) und [Li(THF)~4~][Sm(C~8~H~8~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","7","1187","1192","10.1002/(sici)1521-3749(199807)624:7<1187::aid-zaac1187>3.0.co;2-1","","","","","","","","","","","","","","","","","","","","","has coordinates","177950","2020-10-21","18:00:00",""
"1100613","17.7767","0.0012","13.1856","0.0011","18.0575","0.0013","90","","106.869","0.007","90","","4050.49","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H64 Li O6 Sm -","- C72 H112 Li O10 Sm -","- C288 H448 Li4 O40 Sm4 -","4","0.5","","Anfang, S.; Seybert, G.; Harms, K.; Geiseler, G.; Massa, W.; Dehnicke, K.","Reaktionen von LiNPPh~3~ mit den Cyclooctatetraenid-Komplexen [Ln(C~8~H~8~)Cl(THF)~2~]~2~ von Cer und Samarium. Die Kristallstrukturen von [LiNPPh~3~]~6~, [Ln(C~8~H~8~)Li~3~Cl~2~(NPPh~3~)~2~(THF)~3~] (Ln = Ce, Sm) und [Li(THF)~4~][Sm(C~8~H~8~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","7","1187","1192","10.1002/(sici)1521-3749(199807)624:7<1187::aid-zaac1187>3.0.co;2-1","","","","","","","","","","","","","","","","","","","","","has coordinates","177950","2020-10-21","18:00:00",""
"1100614","14.022","0.003","17.683","0.004","16.181","0.003","90","","95.46","0.03","90","","3993.89","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 Br4 N2 O5 Sm2 -","- C38 H78 Br4 N2 O5 Sm2 -","- C152 H312 Br16 N8 O20 Sm8 -","4","1","","Kraut, S.; Magull, J.; Schaller, U.; Karl, M.; Harms, K.; Dehnicke, K.","Amidoliganden zum Aufbau von mehrkernigen Lanthanoidkomplexen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","7","1193","1201","10.1002/(sici)1521-3749(199807)624:7<1193::aid-zaac1193>3.0.co;2-n","","","","","","","","","","","","","","","","","","","","","has coordinates","177951","2020-10-21","18:00:00",""
"1100615","11.195","0.001","12.156","0.001","12.551","0.001","69.71","0.01","81.81","0.01","67.38","0.01","1478.72","","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H96 Li4 N6 O6 Si4 Sm2 -","- C86 H210 Li8 N12 O12 Si8 Sm4 -","- C86 H210 Li8 N12 O12 Si8 Sm4 -","1","0.5","","Kraut, S.; Magull, J.; Schaller, U.; Karl, M.; Harms, K.; Dehnicke, K.","Amidoliganden zum Aufbau von mehrkernigen Lanthanoidkomplexen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","7","1193","1201","10.1002/(sici)1521-3749(199807)624:7<1193::aid-zaac1193>3.0.co;2-n","","","","","","","","","","","","","","","","","","","","","has coordinates","177951","2020-10-21","18:00:00",""
"1100616","11.2049","0.0018","12.1604","0.0015","12.5925","0.0018","69.663","0.011","81.851","0.012","67.865","0.016","1490.16","","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H96 Gd2 Li4 N6 O6 Si4 -","- C86 H210 Gd4 Li8 N12 O12 Si8 -","- C86 H210 Gd4 Li8 N12 O12 Si8 -","1","0.5","","Kraut, S.; Magull, J.; Schaller, U.; Karl, M.; Harms, K.; Dehnicke, K.","Amidoliganden zum Aufbau von mehrkernigen Lanthanoidkomplexen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","7","1193","1201","10.1002/(sici)1521-3749(199807)624:7<1193::aid-zaac1193>3.0.co;2-n","","","","","","","","","","","","","","","","","","","","","has coordinates","177951","2020-10-21","18:00:00",""
"1100617","14.042","0.003","17.72","0.004","16.159","0.003","90","","94.74","0.03","90","","4007","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 Br4 Gd2 N2 O5 -","- C39 H78 Br4 Gd2 N2 O5 -","- C156 H312 Br16 Gd8 N8 O20 -","4","1","","Kraut, S.; Magull, J.; Schaller, U.; Karl, M.; Harms, K.; Dehnicke, K.","Amidoliganden zum Aufbau von mehrkernigen Lanthanoidkomplexen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","7","1193","1201","10.1002/(sici)1521-3749(199807)624:7<1193::aid-zaac1193>3.0.co;2-n","","","","","","","","","","","","","","","","","","","","","has coordinates","177951","2020-10-21","18:00:00",""
"1100618","15.856","0.003","17.151","0.003","22.324","0.005","83.31","0.03","78.97","0.03","74.48","0.03","5727.8","","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C98 H148 Gd4 N9 Na5 O15 Si6 -","- C99 H137 Gd4 N9 Na6 O14 Si6 -","- C198 H274 Gd8 N18 Na12 O28 Si12 -","2","1","","Kraut, S.; Magull, J.; Schaller, U.; Karl, M.; Harms, K.; Dehnicke, K.","Amidoliganden zum Aufbau von mehrkernigen Lanthanoidkomplexen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","7","1193","1201","10.1002/(sici)1521-3749(199807)624:7<1193::aid-zaac1193>3.0.co;2-n","","","","","","","","","","","","","","","","","","","","","has coordinates","177951","2020-10-21","18:00:00",""
"1100619","15.856","0.003","17.151","0.003","22.324","0.005","83.31","0.03","78.97","0.03","74.48","0.03","5727.8","","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C98 H148 N9 Na5 O15 Si6 Yb4 -","- C99 H137 N9 Na5 O14 Si6 Yb4 -","- C198 H274 N18 Na10 O28 Si12 Yb8 -","2","1","","Kraut, S.; Magull, J.; Schaller, U.; Karl, M.; Harms, K.; Dehnicke, K.","Amidoliganden zum Aufbau von mehrkernigen Lanthanoidkomplexen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","7","1193","1201","10.1002/(sici)1521-3749(199807)624:7<1193::aid-zaac1193>3.0.co;2-n","","","","","","","","","","","","","","","","","","","","","has coordinates","177951","2020-10-21","18:00:00",""
"1100620","11.401","0.002","16.468","0.002","24.831","0.003","76.09","0.01","77.34","0.01","75.25","0.01","4313.81","","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H116 N6 Na4 O12 Si6 Yb2 -","- C148 H244 N12 Na8 O24 Si12 Yb4 -","- C296 H488 N24 Na16 O48 Si24 Yb8 -","2","1","","Kraut, S.; Magull, J.; Schaller, U.; Karl, M.; Harms, K.; Dehnicke, K.","Amidoliganden zum Aufbau von mehrkernigen Lanthanoidkomplexen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","7","1193","1201","10.1002/(sici)1521-3749(199807)624:7<1193::aid-zaac1193>3.0.co;2-n","","","","","","","","","","","","","","","","","","","","","has coordinates","177951","2020-10-21","18:00:00",""
"1100621","10.9406","0.001","11.839","0.001","13.142","0.001","64.807","0.01","68.864","0.01","80.748","0.01","1436.64","","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H96 Li4 N6 O6 Si4 Yb2 -","- C84 H200 Li8 N12 O12 Si8 Yb4 -","- C84 H200 Li8 N12 O12 Si8 Yb4 -","1","0.5","","Kraut, S.; Magull, J.; Schaller, U.; Karl, M.; Harms, K.; Dehnicke, K.","Amidoliganden zum Aufbau von mehrkernigen Lanthanoidkomplexen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","7","1193","1201","10.1002/(sici)1521-3749(199807)624:7<1193::aid-zaac1193>3.0.co;2-n","","","","","","","","","","","","","","","","","","","","","has coordinates","177951","2020-10-21","18:00:00",""
"1100622","10.202","0.001","8.904","0.001","25.621","0.002","90","","92.06","0.01","90","","2325.87","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 As Cl N P -","- C24 H30 As Cl N P -","- C96 H120 As4 Cl4 N4 P4 -","4","1","","Chitsaz, Soheila; Neumüller, Bernhard; Harms, Klaus; Dehnicke, Kurt","Asymmetrisch substituierte Iminiumsalze [Et~3~PNAsPh~3~]X und ihre Reaktion mit Acetonitril. Kristallstrukturen von [Et~3~PNAsPh~3~]X (X = Cl, Br), [(Ph~3~As)~2~CCN]Br und [(Ph~3~As)~2~CCN(SnBr~5~)]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","8","1341","1346","10.1002/(sici)1521-3749(199808)624:8<1341::aid-zaac1341>3.0.co;2-v","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100623","10.262","0.001","8.929","0.001","25.702","0.002","90","","92.4","0.01","90","","2352.99","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 As Br N P -","- C24 H30 As Br N P -","- C96 H120 As4 Br4 N4 P4 -","4","1","","Chitsaz, Soheila; Neumüller, Bernhard; Harms, Klaus; Dehnicke, Kurt","Asymmetrisch substituierte Iminiumsalze [Et~3~PNAsPh~3~]X und ihre Reaktion mit Acetonitril. Kristallstrukturen von [Et~3~PNAsPh~3~]X (X = Cl, Br), [(Ph~3~As)~2~CCN]Br und [(Ph~3~As)~2~CCN(SnBr~5~)]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","8","1341","1346","10.1002/(sici)1521-3749(199808)624:8<1341::aid-zaac1341>3.0.co;2-v","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100624","10.223","0.0009","15.9892","0.0011","19.6389","0.0018","90","","100.883","0.009","90","","3152.39","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 As2 Br N -","- C38 H30 As2 Br N -","- C152 H120 As8 Br4 N4 -","4","1","","Chitsaz, Soheila; Neumüller, Bernhard; Harms, Klaus; Dehnicke, Kurt","Asymmetrisch substituierte Iminiumsalze [Et~3~PNAsPh~3~]X und ihre Reaktion mit Acetonitril. Kristallstrukturen von [Et~3~PNAsPh~3~]X (X = Cl, Br), [(Ph~3~As)~2~CCN]Br und [(Ph~3~As)~2~CCN(SnBr~5~)]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","8","1341","1346","10.1002/(sici)1521-3749(199808)624:8<1341::aid-zaac1341>3.0.co;2-v","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100625","9.676","0.001","22.562","0.001","17.987","0.002","90","","101.54","0.01","90","","3847.36","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 As2 Br5 N Sn -","- C38 H30 As2 Br5 N Sn -","- C152 H120 As8 Br20 N4 Sn4 -","4","1","","Chitsaz, Soheila; Neumüller, Bernhard; Harms, Klaus; Dehnicke, Kurt","Asymmetrisch substituierte Iminiumsalze [Et~3~PNAsPh~3~]X und ihre Reaktion mit Acetonitril. Kristallstrukturen von [Et~3~PNAsPh~3~]X (X = Cl, Br), [(Ph~3~As)~2~CCN]Br und [(Ph~3~As)~2~CCN(SnBr~5~)]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","8","1341","1346","10.1002/(sici)1521-3749(199808)624:8<1341::aid-zaac1341>3.0.co;2-v","","","","","","","","","","","","","","","","","","","","","has coordinates","176951","2020-10-21","18:00:00",""
"1100626","9.8662","0.0007","20.7898","0.0011","17.8309","0.0013","90","","102.498","0.008","90","","3570.74","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H39 Br4 Co4 N5 P4 -","- C14 H39 Br4 Co4 N5 P4 -","- C56 H156 Br16 Co16 N20 P16 -","4","1","","Riese, Ulrike; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt","Cobalt(II)-organische Phosphaniminato-Komplexe mit Heterocuban-Struktur. Kristallstrukturen von [CoBr(NPR~3~)]~4~ mit R = Me, Et, [Co(C≡C-CMe3)(NPMe3)]~4~ und [Co(C≡C-SiMe~3~)(NPEt~3~)]~4~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","8","1279","1284","10.1002/(SICI)1521-3749(199808)624:8<1279::AID-ZAAC1279>3.0.CO;2-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176946","2020-10-21","18:00:00",""
"1100627","21.035","0.002","11.112","0.002","19.743","0.002","90","","115.45","0.01","90","","4166.93","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H60 Br4 Co4 N4 P4 -","- C50 H126 Br8 Co8 N8 P8 -","- C200 H504 Br32 Co32 N32 P32 -","4","0.5","","Riese, Ulrike; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt","Cobalt(II)-organische Phosphaniminato-Komplexe mit Heterocuban-Struktur. Kristallstrukturen von [CoBr(NPR~3~)]~4~ mit R = Me, Et, [Co(C≡C-CMe3)(NPMe3)]~4~ und [Co(C≡C-SiMe~3~)(NPEt~3~)]~4~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","8","1279","1284","10.1002/(SICI)1521-3749(199808)624:8<1279::AID-ZAAC1279>3.0.CO;2-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176946","2020-10-21","18:00:00",""
"1100628","18.5424","0.0011","27.4587","0.0013","9.6347","0.0005","90","","90","","90","","4905.51","","","","","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C36 H72 Co4 N4 P4 -","- C156 H324 Co16 N16 P16 -","- C624 H1296 Co64 N64 P64 -","4","0.25","","Riese, Ulrike; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt","Cobalt(II)-organische Phosphaniminato-Komplexe mit Heterocuban-Struktur. Kristallstrukturen von [CoBr(NPR~3~)]~4~ mit R = Me, Et, [Co(C≡C-CMe3)(NPMe3)]~4~ und [Co(C≡C-SiMe~3~)(NPEt~3~)]~4~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","8","1279","1284","10.1002/(SICI)1521-3749(199808)624:8<1279::AID-ZAAC1279>3.0.CO;2-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176946","2020-10-21","18:00:00",""
"1100629","10.9708","0.0008","26.193","0.002","22.3454","0.0017","90","","94.55","0.008","90","","6400.9","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H96 Co4 N4 P4 Si4 -","- C44 H96 Co4 N4 P4 Si4 -","- C176 H384 Co16 N16 P16 Si16 -","4","1","","Riese, Ulrike; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt","Cobalt(II)-organische Phosphaniminato-Komplexe mit Heterocuban-Struktur. Kristallstrukturen von [CoBr(NPR~3~)]~4~ mit R = Me, Et, [Co(C≡C-CMe3)(NPMe3)]~4~ und [Co(C≡C-SiMe~3~)(NPEt~3~)]~4~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","8","1279","1284","10.1002/(SICI)1521-3749(199808)624:8<1279::AID-ZAAC1279>3.0.CO;2-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176946","2020-10-21","18:00:00",""
"1100630","9.305","0.002","15.119","0.002","14.411","0.003","90","","97.467","0.01","90","","2010.18","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H34 Li N5 -","- C17 H34 Li N5 -","- C68 H136 Li4 N20 -","4","1","","Bosold, F.; Marsch, M.; Harms, K.; Boche, G.","Crystal structure of 1-lithio-1-phenyl-2,2-dimethylhydrazine-pentamethyldiethylenetriamine, [(C6H5)(CH3)2N2]Li(C9H23N3)","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","1-4","619","620","10.1524/ncrs.1998.213.14.647","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100631","9.81","0.003","7.671","0.001","16.541","0.006","90","","100.51","0.02","90","","1223.87","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 Li N2 O -","- C12 H19 Li2 N3 O -","- C48 H76 Li8 N12 O4 -","4","1","","Bosold, F.; Marsch, M.; Harms, K.; Boche, G.","Crystal structure of 1-lithio-1-phenyl-2,2-dimethylhydrazinetetrahydrofuran, [(C~6~H~5~)(CH~3~)~2~N~2~]Li·C~4~H~8~O","Zeitschrift für Kristallographie","1998","213","1-4","621","622","10.1524/ncrs.1998.213.14.649","","","","","","","","","","","","","","","","","","","","","has coordinates","178098","2020-10-21","18:00:00",""
"1100632","11.158","0.002","11.798","0.001","12.107","0.002","117.74","0.01","107.02","0.01","98.3","0.01","1272.54","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H72 Li4 N6 O4 -","- C108 H154 Li8 N12 O8 -","- C108 H154 Li8 N12 O8 -","1","0.5","","Bosold, F.; Marsch, M.; Harms, K.; Boche, G.","Crystal structure of bis(1-lithio-1,2-diphenylhydrazine)-1,2-dilithio-1,2-diphenylhydrazine-tetrakis(diethyl ether), [(C~6~H~5~)~2~N~2~Li]~2~[(C~6~H~5~)~2~N~2~Li~2~](C~4~H~10~O)~4~","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","1-4","623","624","10.1524/ncrs.1998.213.14.651","","","","","","","","","","","","","","","","","","","","","has coordinates","180581","2020-10-21","18:00:00",""
"1100633","12.061","0.001","14.753","0.001","5.643","0.001","90","","90","","90","","1004.09","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H17 N O2 -","- C10 H17 N O2 -","- C40 H68 N4 O8 -","4","1","","Aurich, Hans Günter; Geiger, Michael; Gentes, Christian; Harms, Klaus; Köster, Heiner","Formation of enantiopure tricyclic compounds by intramolecular 1,3-dipolar cycloaddition of nitrones","Tetrahedron","1998","54","13","3181","3196","10.1016/s0040-4020(98)00064-7","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100634","9.75","0.002","10.525","0.002","15.035","0.003","90","","90","","90","","1542.87","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C68 H96 N8 O4 -","4","1","","Aurich, Hans Günter; Geiger, Michael; Gentes, Christian; Harms, Klaus; Köster, Heiner","Formation of enantiopure tricyclic compounds by intramolecular 1,3-dipolar cycloaddition of nitrones","Tetrahedron","1998","54","13","3181","3196","10.1016/s0040-4020(98)00064-7","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100635","27.276","0.0019","19.7754","0.001","28.4888","0.0017","90","","90","","90","","15366.7","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H84 N3 P3 Yb2 -","- C90 H84 N3 P3 Yb2 -","- C720 H672 N24 P24 Yb16 -","8","1","","Anfang, S.; Gröb, T.; Harms, K.; Seybert, G.; Massa, W.; Greiner, A.; Dehnicke, K.","Phosphaniminato-Komplexe von Seltenerdelementen. Die Kristallstrukturen von [Yb~2~Cp~3~(NPPh~3~)~3~], [YCp(NPPh~3~)(μ-OSiMe~2~NPPh~3~)]~2~ und [M(NPPh~3~)~2~(μ-OSiMe~2~NPPh~3~)]~2~ mit M = Y und Sm","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","11","1853","1859","10.1002/(sici)1521-3749(199911)625:11<1853::aid-zaac1853>3.0.co;2-4","","","","","","","","","","","","","","","","","","","","","has coordinates","177956","2020-10-21","18:00:00",""
"1100636","14.6903","0.0011","12.3408","0.0009","27.615","0.002","90","","93.196","0.01","90","","4998.54","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C114 H114 N4 O2 P4 Si2 Y2 -","- C200 H196 N8 O4 P8 Si4 Y4 -","- C400 H392 N16 O8 P16 Si8 Y8 -","2","0.5","","Anfang, S.; Gröb, T.; Harms, K.; Seybert, G.; Massa, W.; Greiner, A.; Dehnicke, K.","Phosphaniminato-Komplexe von Seltenerdelementen. Die Kristallstrukturen von [Yb~2~Cp~3~(NPPh~3~)~3~], [YCp(NPPh~3~)(μ-OSiMe~2~NPPh~3~)]~2~ und [M(NPPh~3~)~2~(μ-OSiMe~2~NPPh~3~)]~2~ mit M = Y und Sm","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","11","1853","1859","10.1002/(sici)1521-3749(199911)625:11<1853::aid-zaac1853>3.0.co;2-4","","","","","","","","","","","","","","","","","","","","","has coordinates","177956","2020-10-21","18:00:00",""
"1100637","18.0406","0.0015","14.0182","0.0008","22.2165","0.0016","90","","98.716","0.009","90","","5553.6","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C126 H118 N6 O2 P6 Si2 Y2 -","- C238 H220 N12 O4 P12 Si4 Y4 -","- C476 H440 N24 O8 P24 Si8 Y8 -","2","0.5","","Anfang, S.; Gröb, T.; Harms, K.; Seybert, G.; Massa, W.; Greiner, A.; Dehnicke, K.","Phosphaniminato-Komplexe von Seltenerdelementen. Die Kristallstrukturen von [Yb~2~Cp~3~(NPPh~3~)~3~], [YCp(NPPh~3~)(μ-OSiMe~2~NPPh~3~)]~2~ und [M(NPPh~3~)~2~(μ-OSiMe~2~NPPh~3~)]~2~ mit M = Y und Sm","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","11","1853","1859","10.1002/(sici)1521-3749(199911)625:11<1853::aid-zaac1853>3.0.co;2-4","","","","","","","","","","","","","","","","","","","","","has coordinates","177956","2020-10-21","18:00:00",""
"1100638","13.6337","0.0011","13.6488","0.0009","16.5061","0.0012","112.457","0.008","91.948","0.009","114.974","0.008","2502.3","","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C112 H102 N6 O2 P6 Si2 Sm2 -","- C224 H204 N12 O4 P12 Si4 Sm4 -","- C224 H204 N12 O4 P12 Si4 Sm4 -","1","0.5","","Anfang, S.; Gröb, T.; Harms, K.; Seybert, G.; Massa, W.; Greiner, A.; Dehnicke, K.","Phosphaniminato-Komplexe von Seltenerdelementen. Die Kristallstrukturen von [Yb~2~Cp~3~(NPPh~3~)~3~], [YCp(NPPh~3~)(μ-OSiMe~2~NPPh~3~)]~2~ und [M(NPPh~3~)~2~(μ-OSiMe~2~NPPh~3~)]~2~ mit M = Y und Sm","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","11","1853","1859","10.1002/(sici)1521-3749(199911)625:11<1853::aid-zaac1853>3.0.co;2-4","","","","","","","","","","","","","","","","","","","","","has coordinates","177956","2020-10-21","18:00:00",""
"1100639","10.4739","0.0008","10.0858","0.0008","14.5229","0.0014","90","","93.919","0.007","90","","1530.58","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl N P -","- C18 H15 Cl N P -","- C72 H60 Cl4 N4 P4 -","4","1","","Grebe, Jutta; Schlecht, Sabine; Weller, Frank; Harms, Klaus; Geiseler, Gertraud; Dehnicke, Kurt","N-Chlortriphenylphosphanimin und seine Anwendung als Edukt zur Synthese asymmetrischer PNP-Kationen. Kristallstrukturen von Ph~3~PNCl und [Ph~3~PNPEt~3~]Cl","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","4","633","636","10.1002/(sici)1521-3749(199904)625:4<633::aid-zaac633>3.0.co;2-2","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100640","10.035","0.001","8.896","0.001","25.643","0.001","90","","91.94","0.01","90","","2287.87","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl N P2 -","- C24 H30 Cl N P2 -","- C96 H120 Cl4 N4 P8 -","4","1","","Grebe, Jutta; Schlecht, Sabine; Weller, Frank; Harms, Klaus; Geiseler, Gertraud; Dehnicke, Kurt","N-Chlortriphenylphosphanimin und seine Anwendung als Edukt zur Synthese asymmetrischer PNP-Kationen. Kristallstrukturen von Ph~3~PNCl und [Ph~3~PNPEt~3~]Cl","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","4","633","636","10.1002/(sici)1521-3749(199904)625:4<633::aid-zaac633>3.0.co;2-2","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100641","15.374","0.002","16.636","0.002","16.721","0.004","90","","107.13","0.01","90","","4086.88","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H44 B Cr -","- C60 H44 B Cr -","- C240 H176 B4 Cr4 -","4","1","","Elschenbroich, Christoph; Möckel, Reinhart; Vasil'kov, Alexander; Metz, Bernhard; Harms, Klaus","Chromium Sandwich Complexes of Polycyclic Aromatic Hydrocarbons: Triphenylene and Fluoranthene as η^6^ Ligands","European Journal of Inorganic Chemistry","1998","1998","10","1391","1401","10.1002/(sici)1099-0682(199810)1998:10<1391::aid-ejic1391>3.0.co;2-6","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100642","21.637","0.001","26.975","0.002","17.521","0.001","90","","90","","90","","10226.3","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C33.5 H23 Cr I O0.5 -","- C34.5 H26 Cr I O0.5 -","- C552 H416 Cr16 I16 O8 -","16","1","","Elschenbroich, Christoph; Möckel, Reinhart; Vasil'kov, Alexander; Metz, Bernhard; Harms, Klaus","Chromium Sandwich Complexes of Polycyclic Aromatic Hydrocarbons: Triphenylene and Fluoranthene as η^6^ Ligands","European Journal of Inorganic Chemistry","1998","1998","10","1391","1401","10.1002/(sici)1099-0682(199810)1998:10<1391::aid-ejic1391>3.0.co;2-6","","","","","","","","","","","","","","","","","","","","","has coordinates","177585","2020-10-21","18:00:00",""
"1100643","22.3915","0.0015","10.1812","0.0008","10.4478","0.0011","90","","90","","90","","2381.81","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H20 Cr I -","- C60 H40 Cr I -","- C240 H160 Cr4 I4 -","4","0.5","","Elschenbroich, Christoph; Möckel, Reinhart; Vasil'kov, Alexander; Metz, Bernhard; Harms, Klaus","Chromium Sandwich Complexes of Polycyclic Aromatic Hydrocarbons: Triphenylene and Fluoranthene as η^6^ Ligands","European Journal of Inorganic Chemistry","1998","1998","10","1391","1401","10.1002/(sici)1099-0682(199810)1998:10<1391::aid-ejic1391>3.0.co;2-6","","","","","","","","","","","","","","","","","","","","","has coordinates","177585","2020-10-21","18:00:00",""
"1100644","8.6024","0.0018","10.1643","0.0015","10.2254","0.0013","86.61","0.009","79.601","0.013","69.707","0.009","824.81","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Cl2 N2 O6 Zn2 -","- C52 H64 Cl4 N4 O10 Zn4 -","- C52 H64 Cl4 N4 O10 Zn4 -","1","0.5","","Boche, Gernot; Bosold, Ferdinand; Hermann, Holger; Marsch, Michael; Harms, Klaus; Lohrenz, J. C. W.","Crystal Structure of [2-ZnCl-benzoxazole·2 THF]~2~: The Remarkable Difference between 2-ZnHal- and 2-Li-oxazoles","Chemistry - A European Journal","1998","4","5","814","817","10.1002/(sici)1521-3765(19980515)4:5<814::aid-chem814>3.0.co;2-f","","","","","","","","","","","","","","","","","","","","","has coordinates","177970","2020-10-21","18:00:00",""
"1100645","8.0799","0.0013","12.969","0.0015","14.451","0.0018","90","","90","","90","","1514.29","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O4 S -","- C15 H21 N O4 S -","- C60 H84 N4 O16 S4 -","4","1","","Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus","Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone","European Journal of Organic Chemistry","1999","1999","11","2977","2990","10.1002/(sici)1099-0690(199911)1999:11<2977::aid-ejoc2977>3.0.co;2-3","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100646","8.455","0.001","11.6555","0.001","14.3828","0.001","90","","90","","90","","1417.39","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O4 S -","- C14 H19 N O4 S -","- C56 H76 N4 O16 S4 -","4","1","","Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus","Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone","European Journal of Organic Chemistry","1999","1999","11","2977","2990","10.1002/(sici)1099-0690(199911)1999:11<2977::aid-ejoc2977>3.0.co;2-3","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100647","7.623","0.001","9.913","0.001","9.624","0.001","90","","95.9","0.01","90","","723.4","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N O5 -","- C12 H21 N O5 -","- C24 H42 N2 O10 -","2","1","","Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus","Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone","European Journal of Organic Chemistry","1999","1999","11","2977","2990","10.1002/(sici)1099-0690(199911)1999:11<2977::aid-ejoc2977>3.0.co;2-3","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100648","8.6269","0.0007","9.251","0.002","9.789","0.001","90","","106.459","0.008","90","","749.22","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N O5 -","- C12 H21 N O5 -","- C24 H42 N2 O10 -","2","1","","Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus","Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone","European Journal of Organic Chemistry","1999","1999","11","2977","2990","10.1002/(sici)1099-0690(199911)1999:11<2977::aid-ejoc2977>3.0.co;2-3","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100649","15.625","0.004","23.028","0.006","7.685","0.002","90","","90","","90","","2765","1","123.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 F3 N3 -","- C15 H14 F3 N3 -","- C120 H112 F24 N24 -","8","1","","Chizuru, Sasaki; Soh-ichi, Kitoh; Kazuya, Yamada; Ko-Ki, Kunimoto; Shiro, Maeda; Akio, Kuwae; Kazuhiko, Hanai","Crystal Structure of 2-Trifluoromethyl-4'-dimethylaminoazobenzene","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x1","x2","10.2116/analscix.19.x1","","","0.7107","MoKα","","","0.0486","","","","0.0701","","","","","","0.979","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100650","14.21","0.01","6.28","0.01","8.73","0.01","90","","90","","90","","778","2","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C32 H32 N8 O8 -","4","1","","Azumaya, Isao; Okamoto, Iwao; Takayanagi, Hiroaki","Spontaneous Optical Resolution of 1,2-Bis(formylamino)benzene in Crystals","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x3","x4","10.2116/analscix.19.x3","","","1.5418","CuKα","","","0.0606","","","","0.0984","","","","","","1.307","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100651","4.373","0.002","10.654","0.006","20.05","0.01","90","","92.92","0.02","90","","933.2","0.9","116","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F4 N2 -","- C9 H6 F4 N2 -","- C36 H24 F16 N8 -","4","1","","Ryoichi, Nakagaki; Shigeru, Kohtani; Yuko, Nakamura; Michiyo, Okamura; Soh-ichi, Kitoh; Ko-Ki, Kunimoto","Crystal Structure of 4-N,N-Dimethylamino-2,3,5,6-tetrafluorobenzonitrile","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x5","x6","10.2116/analscix.19.x5","","","0.7107","MoKα","","","0.0726","","","","0.089","","","","","","1.631","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100652","14.5558","0.0005","30.2416","0.0006","6.2872","0.0003","90","","90","","90","","2767.6","0.2","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 O3 -","- C28 H50 O3 -","- C112 H200 O12 -","4","1","","Fujii, Isao; Hirayama, Noriaki","Structure of 7-α-hydroxycholesterol","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x7","x8","10.2116/analscix.19.x7","","","1.5418","CuKα","","","0.0676","","","","0.1447","","","","","","1.546","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100653","10.214","0.001","12.734","0.005","16.062","0.002","84.74","0.02","87.84","0.01","75.77","0.02","2016.2","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H54 O9 -","- C44 H54 O9 -","- C88 H108 O18 -","2","1","","Guillon, Jean; Leger, Jean-Michel; Sonnet, Pascal; Jarry, Christian","Crystal Structure of 25-(2-tert-Butoxyethoxy)-27-hydroxycalix[4]arene-crown-6 in the Cone Conformation","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x9","x10","10.2116/analscix.19.x9","","","1.54178","CuKα","","0.1052","0.088","","","0.2599","0.2807","","","","","","1.069","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100654","8.4053","0.0006","22.1236","0.0016","17.1548","0.0012","90","","100.903","0.001","90","","3132.4","0.4","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Enoxacin","1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazin-yl)-1,8-naphthyridine-3-carboxylic acid","","- C31 H44 F2 N8 O10 -","- C31 F2 N8 O10 -","- C124 F8 N32 O40 -","4","1","","Yoon, I.; Park, K.-M.; Bark, K.-M.; Yang, M. S.; Lee, S. S.","Crystal Structure of a Fluoroquinolone Antibiotic, Enoxacin","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x11","x12","10.2116/analscix.19.x11","","","","","","","0.0683","","","0.224","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100655","15.878","0.004","22.125","0.005","7.9029","0.0019","90","","90","","90","","2776.3","1.2","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C14 H17 N5 -","- C14 H17 N5 -","- C112 H136 N40 -","8","1","","Hansongnern, Kanidtha; Tempiam, Sansanee; Liou, Jian-Cheng; Liao, Fen-Ling; Lu, Tian-Huey","Crystal Structure of 2-(4'-N,N-Diethylaminophenylazo)pyrimidine","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x13","x14","10.2116/analscix.19.x13","","","0.71073","MoKα","","0.1696","0.0595","","","0.1081","0.1253","","","","","","0.822","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1100656","10.104","0.002","32.447","0.001","6.014","0.001","90","","90","","90","","1971.7","0.5","123.2","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H11 N O S -","- C10 H11 N O S -","- C80 H88 N8 O8 S8 -","8","2","","Kitoh, Soh-ichi; Senda, Hitoshi; Kunimoto, Ko-Ki","Crystal Structures of Chiral and Racemic 4-Methyl-5-phenyl-1,3-oxazolidine-2-thione","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x15","x16","10.2116/analscix.19.x15","","","0.7107","MoKα","","","0.0268","","","","0.0398","","","","","","1.115","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100657","27.238","0.004","6.0517","0.0008","11.726","0.003","90","","99.433","0.001","90","","1906.7","0.6","123.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H11 N O S -","- C10 H11 N O S -","- C80 H88 N8 O8 S8 -","8","1","","Kitoh, Soh-ichi; Senda, Hitoshi; Kunimoto, Ko-Ki","Crystal Structures of Chiral and Racemic 4-Methyl-5-phenyl-1,3-oxazolidine-2-thione","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x15","x16","10.2116/analscix.19.x15","","","0.7107","MoKα","","","0.0279","","","","0.0341","","","","","","0.93","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100658","7.251","","13.195","0.001","9.835","0.001","90","","101.94","","90","","920.62","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","imidazole","2-Butyl-4-chloro-1H-imidazole-5-carboxaldehyde","","- C8 H11 Cl N2 O -","- C8 H11 Cl N2 O -","- C32 H44 Cl4 N8 O4 -","4","1","","Doreswamy, Beeranahally H.; Basappa; Mahendra, Madegowda; Mantelingu, Kempegowda; Anandalwar, Sridhar M.; Prasad, Javaregowda S.; Rangappa, Kanchugarakoppal S.","Microwave-Assisted Synthesis and Crystal Structure of 2-Butyl-4-chloro-1H-imidazole-5-carboxaldehyde","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x31","x32","10.2116/analscix.19.x31","","x-ray","0.71073","MoKα","","0.0798","0.0651","","","0.189","0.2167","","","","","","1.064","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100659","13.409","0.0005","13.409","0.0005","13.81","0.0004","90","","90","","90","","2483.1","0.1","","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","Tetrathiourea Copper (II) chloride","Tetrathiourea Copper (II) chloride","","- C3 H12 Cl Cu N6 S3 -","- C3 Cl Cu N6 S3 -","- C24 Cl8 Cu8 N48 S24 -","8","1","","Lakshmi, S.; Sridhar, M. A.; Prasad, J. S.; Srinivasan, V.; Kandhaswamy, M. A.; Dhandapani, M.","Synthesis and Structural Analysis of Tetrathioureacopper(I) Chloride","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x19","x20","10.2116/analscix.19.x19","","","","","","","0.0362","","","","","","","","","","","","","","has coordinates","175113","2020-10-21","18:00:00",""
"1100660","26.0133","0.0006","26.0133","0.0006","15.898","0.0008","90","","90","","90","","10758","0.6","293.1","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C26 H41 N3 O5 -","- C26 H41 N3 O5 -","- C416 H656 N48 O80 -","16","1","","Akimoto, Toshio; Hirayama, Noriaki","Crystal Structure of Ciclopirox Olamine","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x21","x22","10.2116/analscix.19.x21","","","1.5419","CuKα","","","0.068","","","","0.141","","","","","","1.293","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100661","8.279","0.001","14.843","0.002","5.959","0.001","97.02","0.01","102.75","0.01","100.52","0.01","692.05","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","","Aygün, Muhittin; Akkus, Nilgün; Güven, Kutalmş; Akgüngör, Kadir","Crystal Structure of 4-Ethoxy-N-(o-hydroxyacetophenolidene)aniline","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x23","x24","10.2116/analscix.19.x23","","","0.71069","MoKα","","0.1198","0.0411","","","0.1169","0.1595","","","","","","1.009","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100662","10.0901","0.0006","11.776","0.0007","18.82","0.0007","74.054","0.002","81.034","0.003","88.4315","0.0007","2123.6","0.2","296.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O5 S -","- C23 H23 N O5 S -","- C92 H92 N4 O20 S4 -","4","2","","Akimoto, Toshio; Hirayama, Noriaki","Crystal Structure of Ketotifen Fumarate","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x25","x26","10.2116/analscix.19.x25","","","1.5418","CuKα","","","0.068","","","","0.172","","","","","","0.97","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100663","13.5608","0.0008","7.2782","0.0009","8.6423","0.0005","90","","90","","90","","853","0.1","293.2","","","","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C16 H24 Cl N3 S Zn -","- C16 H24 Cl N3 S Zn -","- C32 H48 Cl2 N6 S2 Zn2 -","2","0.5","","Kurosaki, Hiromasa; Tawada, Toshiaki; Kawasoe, Satomi; Ohashi, Yoko; Goto, Masafumi","Crystal Structure of Chloro{N-mercaptoethyl[bis(6-methyl-2-pyridylmethyl)amine]}zinc(II) complex","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x27","x28","10.2116/analscix.19.x27","","","0.7107","MoKα","","","0.0534","","","","0.0308","","","","","","320.49","","","","has coordinates","175153","2020-10-21","18:00:00",""
"1100664","5.882","0.0005","12.104","0.0005","30.58","0.003","90","","90","","90","","2177.2","0.3","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C112 H96 O16 -","8","1","","Mahendra, M.; Doreswamy, B. H.; Khanum, S. A.; Shashikanth, S.; Sudha, B. S.; Sridhar, M. A.; Prasad, J. S.","Synthesis and Crystal Structure of (2-Hydroxy-5-methyl phenyl)phenyl Methanone","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x29","x30","10.2116/analscix.19.x29","","x-ray","0.71073","MoKα","","0.0786","0.059","","","0.1965","0.2227","","","","","","1.057","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100666","7.916","0.001","15.736","0.002","8.737","0.0008","90","","108.11","0.006","90","","1034.4","0.2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Mahendra, Madegowda; Doreswamy, Beeranahally H.; Sridhar, Mandayam A.; Prasad, Javaregowda S.; Narodia, Vishal P.; Naliapara, Yogesh T.; Shah, Anamik","Crystal Structure of Ethyl-2H-1-benzopyran-2-oxo-3-carboxylate","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x33","x34","10.2116/analscix.19.x33","","x-ray","0.71073","MoKα","","0.0902","0.0696","","","0.1966","0.2325","","","","","","1.111","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100667","17.202","0.002","7.9139","0.0009","16.507","0.003","90","","94.716","0.009","90","","2239.5","0.5","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cl2 N2 O4 S2 -","- C6 H6 Cl2 N2 O4 S2 -","- C48 H48 Cl16 N16 O32 S16 -","8","1","","Haramura, Masayuki; Yanaka, Akito; Akimoto, Toshio; Hirayama, Noriaki","Crystal Structure of Dichlorphenamide","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x35","x36","10.2116/analscix.19.x35","","","1.5419","CuKα","","","0.037","","","","0.091","","","","","","1.093","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100668","7.6961","0.0003","14.6036","0.0005","10.4355","0.0005","90","","95.739","0.002","90","","1166.98","0.08","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H32 Cl F O5 -","- C25 H32 Cl F O5 -","- C50 H64 Cl2 F2 O10 -","2","1","","Haramura, Masayuki; Tanaka, Akito; Akimoto, Toshio; Hirayama, Noriaki","Crystal Structure of Clobetasol Propionate","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x37","x38","10.2116/analscix.19.x37","","","1.5419","CuKα","","","0.038","","","","0.091","","","","","","0.985","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100669","10.237","0.001","18.754","0.002","16.566","0.002","90","","106.257","0.004","90","","3053.3","0.5","173.1","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl F6 N3 O2 P2 Ru -","- C29 H22 Cl F6 N3 O2 P2 Ru -","- C116 H88 Cl4 F24 N12 O8 P8 Ru4 -","4","1","","Ooyama, Dai; Sato, Masahito","Crystal Structure of (2,2'-Bipyridine-N,N')(diphenyl-2-phosphinopyridine-P)-chloro(dicarbonyl)ruthenium(II) Hexafluorophosphate","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x39","x40","10.2116/analscix.19.x39","","","0.7107","MoKα","","","0.0341","","","","0.0794","","","","","","1.354","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100670","10.2822","0.0017","10.9006","0.0018","8.8072","0.0015","90","","100.148","0.003","90","","971.7","0.3","293","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-Aminothiazol-4-yl)-4-(hydroxyimino)acetic ester","","- C7 H9 N3 O3 S -","- C7 H9 N3 O3 S -","- C28 H36 N12 O12 S4 -","4","1","","Miao, Qian; Jin, Zhi-Min; Xiong, Jing; Hu, Mao-Lin","Crystal Structure of 4-(2-Aminothiazol-4-yl)-4-(hydroxyimino)acetic ester","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x41","x42","10.2116/analscix.19.x41","","","0.71073","MoKα","","0.0635","0.0501","","","0.1298","0.1357","","","","","","0.974","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100671","7.181","0.002","11.123","0.004","11.686","0.004","65.101","0.01","87.6","0.02","71.91","0.009","800.5","0.4","113.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Cl N O5 -","- C17 H14 Cl N O5 -","- C34 H28 Cl2 N2 O10 -","2","1","","Shimo, Tetsuro; Kamimura, Kazutaka; Nogita, Rika; Yasutake, Mikio; Shinmyozu, Teruo; Somekawa, Kenichi","Crystal Structure of 1:1 Complex Crystal between 4-(3-Chlorobenzyloxy)-6-methyl-2-pyrone and Maleimide","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x43","x44","10.2116/analscix.19.x43","","","0.7107","MoKα","","","0.0565","","","","0.0816","","","","","","1.28","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100672","16.152","0.006","10.127","0.005","11.45","0.005","90","","105.48","0.03","90","","1805","1.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","5-chloro-2-methyl-4-isothiazoline-3-one and 4,4'-ethylidenebisphenol","5-chloro-2-methyl-4-isothiazoline-3-one 4,4'-ethane-1,1-diyldiphenol","","- C18 H18 Cl N O3 S -","- C18 H18 Cl N O3 S -","- C72 H72 Cl4 N4 O12 S4 -","4","1","","Sekine, Akiko; Jomoto, Kohei; Uekusa, Hidehiro; Ohashi, Yuji; Yagi, Minoru","Crystal Structure of a Host-guest Complex of 4,4'-Ethylidenebisphenol and 5-Chloro-2-methyl-4-isothiazoline-3-one","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x45","x46","10.2116/analscix.19.x45","","","0.71069","MoKα","","0.1098","0.052","","","0.1251","0.146","","","","","","1.028","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1100673","12.402","0.002","10.257","0.002","11.295","0.003","90","","96.856","0.01","90","","1426.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","CMI gallate","5-chloro-2-methylisothiazol-3(2H)-one methyl 1,3,4,5-trihydroxybenzoate","","- C12 H12 Cl N O6 S -","- C12 H12 Cl N O6 S -","- C48 H48 Cl4 N4 O24 S4 -","4","1","","Sekine, Akiko; Mitsumori, Takahiro; Uekusa, Hidehiro; Ohashi, Yuji; Yagi, Minoru","Crystal Structure of a Host-guest Complex of 4,4'-Ethylidenebisphenol and 5-Chloro-2-methyl-4-isothiazoline-3-one","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x47","x48","10.2116/analscix.19.x47","","","0.71073","MoKα","","0.0649","0.0392","","","0.1096","0.1251","","","","","","0.913","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100674","15.456","0.003","9.993","0.002","21.691","0.002","90","","103.23","0.01","90","","3261","1","293.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H74 N10 O2 P2 Zn2 -","- C74 H74 N10 O2 P2 Zn2 -","- C148 H148 N20 O4 P4 Zn4 -","2","0.5","","Shen, Xuan; Sakata, Kazunori; Hashimoto, Mamoru","Crystal Structure of a Dinuclear 1,2-Bis(diphenylphosphinooxide)ethane-bridged (6,8,15,17-Tetramethyldibenzo[b,i][1,4,8,11]-tetraazacyclotetradecinato) zinc(II) Complex","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x49","x50","10.2116/analscix.19.x49","","","0.7107","MoKα","","","0.048","","","","0.1567","","","","","","1.022","","","","has coordinates","175028","2020-10-21","18:00:00",""
"1100675","21.724","0.0017","7.9633","0.0006","13.6074","0.0011","90","","95.924","0.001","90","","2341.4","0.3","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5hthalid","5'-Hydroxythalidomide","","- C13 H10 N2 O5 -","- C13 H10 N2 O5 -","- C104 H80 N16 O40 -","8","1","","Doi, Mitsunobu; Ijiri, Yoshio; Akagi, Masao; Uenishi, Miharu; Urata, Hidehito","Crystal Structure of 5'-Hydroxythalidomide In Vivo Metabolite of Thalidomide in Humans","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x51","x52","10.2116/analscix.19.x51","","","0.71073","MoKα","","0.0662","0.0639","","","0.1432","0.1445","","","","","","1.248","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100676","6.1468","0.0005","10.7412","0.0005","9.0572","0.0006","90","","103.665","0.003","90","","581.07","0.07","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H16 Br N -","- C11 H16 Br N -","- C22 H32 Br2 N2 -","2","1","","Kobayashi, Kimiko; Sassa, Masashi; Yajima, Keiji; Tsuboyama, Sei; Enomoto, Kouichiro; Miyamae, Hiroshi","Molecular Structure and Absolute Configuration of 1-Benzyl-(+)-2- methylazetidine Hydrobromide","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x53","x54","10.2116/analscix.19.x53","","","0.7107","MoKα","","","0.047","","","","0.052","","","","","","1.081","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100677","8.722","0.0007","11.42","0.0011","13.307","0.0012","90","","104.101","0.005","90","","1285.5","0.2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-dicyano-2,6-dimethyl-4-phenyl-1,4-dihydropyridine","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","","Mahendra, M.; Doreswamy, B. H.; Adlakha, Priti; Raval, Kena; Varu, Bharat; Shah, Anamik; Sridhar, M. A.; Prasad, J. S.","Synthesis and Crystal Structure of 3,5-dicyano-2,6-dimethyl-4-phenyl-1,4-dihydropyridine","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x55","x56","10.2116/analscix.19.x55","","x-ray","0.71073","MoKα","","0.1096","0.0625","","","0.1755","0.2265","","","","","","0.908","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100678","14.363","0.005","11.881","0.003","15.71","0.005","90","","107.664","0.005","90","","2554.4","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Cl4 Cu2 N5 S2 -","- C20 H21 Cl4 Cu2 N5 S2 -","- C80 H84 Cl16 Cu8 N20 S8 -","4","1","","","","","","","","","","","","","0.71073","MoKα","","0.154","0.0596","","","0.1073","0.1382","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100679","10.4686","0.0016","11.9543","0.0016","5.9271","0.0016","102.365","0.016","92.12","0.016","65.302","0.015","657.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 S -","- C14 H16 N2 S -","- C28 H32 N4 S2 -","2","1","","Aksoy, Ilhan; Çukurovali, Alaaddin; Güven, Kutalms; Yilmaz, Ibrahim; Sari, Ugur","Structure of 4-(1-phenyl-1-methylcyclobutyl-3-yl)-2-aminothiazole","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x59","x60","10.2116/analscix.19.x59","","","0.71069","MoKα","","0.0727","0.0419","","","0.1149","0.1333","","","","","","1.05","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1100680","23.516","0.003","5.364","0.003","21.872","0.003","90","","90","","90","","2758.7","1.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C120 H112 N16 O16 -","8","2","","Sari, Ugur; Bati, Hümeyra; Güven, Kutalms; Tas, Murat; Aksoy, Ilhan","Structure of 1-(4-Methylphenylamino)-2-phenyl-1,2-ethandione-1-oxime","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x61","x62","10.2116/analscix.19.x61","","","0.71069","MoKα","","0.1098","0.041","","","0.1284","0.1759","","","","","","1.06","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1100681","8.8162","0.0006","16.942","0.0015","4.8651","0.0003","90","","90","","90","","726.67","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Scorbamic acid","","","- C6 H9 N O5 -","- C6 H9 N O5 -","- C24 H36 N4 O20 -","4","1","","Imai, Tokiko; Yoshihiro, Yokoyama; Sekine, Akiko; Uekusa, Hidediro; Ohashi, Yuji","The Structure of 2-Amino-2-deoxyascorbic acid and 2-Amino-2-deoxyerythorbic acid","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x65","x66","10.2116/analscix.19.x65","","","0.7107","MoKα","","0.0444","0.0421","","","0.1233","0.128","","","","","","1.116","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100682","8.3338","0.0013","10.294","0.002","8.029","0.002","90","","90","","90","","688.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Erythroscorbamic acid","","","- C6 H9 N O5 -","- C6 H9 N O5 -","- C24 H36 N4 O20 -","4","1","","Imai, Tokiko; Yoshihiro, Yokoyama; Sekine, Akiko; Uekusa, Hidediro; Ohashi, Yuji","The Structure of 2-Amino-2-deoxyascorbic acid and 2-Amino-2-deoxyerythorbic acid","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x65","x66","10.2116/analscix.19.x65","","","0.7107","MoKα","","0.0455","0.0439","","","0.1249","0.1262","","","","","","1.113","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100683","7.735","0.002","7.989","0.002","11.949","0.002","86.02","0.03","77.61","0.03","71.18","0.03","682.6","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Cl4 Cu2 N6 S2 -","- C22 H24 Cl4 Cu2 N6 S2 -","- C22 H24 Cl4 Cu2 N6 S2 -","1","0.5","","Caradoc-Davies, Paula L.; Gregory, Duncan H.; Hanton, Lyall R.; Turnbull, Julia M.","Probing copper halide supramolecular arrays of a ditopic ligand with complexes of a monotopic analogue","Journal of the Chemical Society, Dalton Transactions","2002","","8","1574","1580","10.1039/b111176k","","","0.71073","MoKα","","0.195","0.1773","","","0.4681","0.4752","","","","","","1.892","","","","has coordinates","180569","2020-10-21","18:00:00",""
"1100684","6.3805","0.0005","15.624","0.001","24.778","0.002","90","","90","","90","","2470","0.4","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C128 H112 O16 -","8","1","","Kitamura, Chitoshi; Fujimoto, Jun; Ouchi, Mikio; Yoneda, Akio","Crystal Structure of 1,4-Dimethoxyanthracene","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x69","x70","10.2116/analscix.19.x69","","","0.7107","MoKα","","","0.0711","","","","0.1573","","","","","","1.772","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100685","6.5534","0.0013","7.4907","0.0015","12.03","0.002","85.42","0.03","82.92","0.03","74.83","0.03","564.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H11 N O9 Sn -","- C7 H11 N O9 Sn -","- C14 H22 N2 O18 Sn2 -","2","1","","Ranjbar, Maryam; Aghabozorg, Hossein; Moghimi, Abolghasem","Crystal Structure of a Binuclear Seven-Coordinate Tin(IV) Complex","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x71","x72","10.2116/analscix.19.x71","","","0.71073","MoKα","","0.0608","0.0528","","","0.1371","0.14","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1100686","5.2095","0.0001","14.1845","0.0005","6.0638","0.0002","90","","101.545","0.002","90","","439.01","0.02","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C3 H4 N4 -","- C3 H4 N4 -","- C12 H16 N16 -","4","1","","Hwang, Long-Chih; Wu, Rang-Rong; Jane, Shin-Yi; Lee, Gene-Hsiang","Crystal Structure of 3-Amino-1,2,4-triazine","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x73","x74","10.2116/analscix.19.x73","","","0.71073","MoKα","","0.0716","0.0477","","0.1228","0.1124","","","","1.01","1.096","1.096","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100687","10.935","0.003","13.921","0.003","17.152","0.005","89.795","0.009","78.487","0.009","89.933","0.009","2558.4","1.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 I3 O2 P -","- C22 H22 I3 O2 P -","- C88 H88 I12 O8 P4 -","4","2","","","","","","","","","","","","","0.71073","MoKα","","0.0772","0.0592","","","0.1849","0.1969","","","","","","1.141","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1100688","18.381","0.004","6.1799","0.0012","6.1865","0.0012","90","","90","","90","","702.7","0.2","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","2,3-bis(4-methylphenyl)tetrazolidine-5-thione","","- C15 H16 N4 S -","- C15 H16 N4 S -","- C30 H32 N8 S2 -","2","0.5","","Zhao, Pu Su; Jian, Fang Fang; Xiao, Hai Lian; Hou, Yu Xia","A Novel Synthesis and Crystal Structure of 2,3-Substituted-1,4-2H-tetrazolthione","Bulletin of the Korean Chemical Society","2004","25","12","1935","1936","10.5012/bkcs.2004.25.12.1935","","","0.71073","MoKα","","0.1207","0.1089","","","0.3064","0.3127","","","","","","1.219","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100689","12.4629","0.001","6.1705","0.0005","15.5815","0.0013","90","","102.243","0.002","90","","1171","0.17","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Crystal structure and Synthesis of β-(p-Fluorobenzoyloxy)-4,16-pregnadiene-6,20-dione","","- C28 H31 F O4 -","- C28 H31 F O4 -","- C56 H62 F2 O8 -","2","1","","Soriano-García, Manuel; Valencia, Norma; Flores, Eugenio; Bratoeff, Eugene; Ramírez, Elena; Cabeza, Marisa","Crystal structure and Synthesis of β-(p-Fluorobenzoyloxy)-4,16-pregnadiene-6,20-dione","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x79","x80","10.2116/analscix.19.x79","","","0.71073","MoKα","","0.0812","0.0476","","","0.0794","0.0868","","","","","","0.911","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1100690","7.733","0.003","10.511","0.002","7.715","0.002","98.17","0.02","109.89","0.02","82.79","0.02","581.7","0.3","296.2","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H32 N4 O16 P4 -","- C8 H32 N4 O16 P4 -","- C8 H32 N4 O16 P4 -","1","0.5","","Hemissi, Hanène; Abid, Sonia; Rzaigui, Mohamed","Structural Characterization of a New Organic Cyclotetraphosphate, [C~4~H~8~N~2~H~4~]~2~P~4~O~12~·4H~2~O","Analytical Sciences: X-ray Structure Analysis Online","2004","20","","x1","x2","10.2116/analscix.20.x1","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100691","11.082","0.003","35.856","0.008","12.135","0.003","90","","106.04","0.02","90","","4634","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetrakis(N,N-dimethyl,N'-phenylthiourea-S)cadmium(II)diperchlorate","","- C36 H48 Cd Cl2 N8 O8 S4 -","- C36 H48 Cd Cl2 N8 O8 S4 -","- C144 H192 Cd4 Cl8 N32 O32 S16 -","4","1","","Cherni, Saoussen Namouchi; Samba, Mohamadou; Dachraoui, Mohamed","Crystal Structure of Tetrakis(N,N-dimethyl, N'-phenylthiourea-S) cadmium(II) diperchlorate [Cd((CH~3~)~2~NCSNHPh)~4~](ClO~4~)~2~","Analytical Sciences: X-ray Structure Analysis Online","2004","20","","x3","x4","10.2116/analscix.20.x3","","","0.71073","MoKα","","0.0981","0.0496","","","0.118","0.1515","","","","","","1.024","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100692","6.985","0.002","9.045","0.002","10.256","0.003","111.87","0.02","104.25","0.02","102","0.02","549.5","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","hexapotassium dibismuth diphosphate","","- Bi2 K6 O21 P6 -","- Bi2 K6 O21 P6 -","- Bi2 K6 O21 P6 -","1","1","","Falah, Chiraz; Boughzala, Habib; Jouini, Tahar","Preparation and the Crystal Structure of Non-centrosymmetric K~6~Bi~2~(P~2~O~7~)~3~","Analytical Sciences: X-ray Structure Analysis Online","2004","20","","x17","x18","10.2116/analscix.20.x17","","","0.71073","MoKα","","0.077","0.0732","","","0.1715","0.1753","","","","","","1.053","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100696","8.0239","0.0005","18.7101","0.0011","9.516","0.0006","90","","110.112","0.001","90","","1341.5","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cu I N2 S -","- C12 H12 Cu I N2 S -","- C48 H48 Cu4 I4 N8 S4 -","4","1","","","","","","","","","","","","","0.71073","MoKα","","0.0313","0.0276","","","0.0698","0.0715","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100697","10.354","0.005","16.245","0.005","10.528","0.005","90","0.005","100.08","0.005","90","0.005","1743.5","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cu2 I2 N2 S -","- C13 H14 Cu2 I2 N2 S -","- C52 H56 Cu8 I8 N8 S4 -","4","1","","","","","","","","","","","","","0.71069","MoKα","","0.0445","0.037","","","0.1016","0.105","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100698","9.351","0.005","10.314","0.005","10.441","0.005","105.338","0.005","102.112","0.005","102.073","0.005","911.3","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cu2 I2 N2 S -","- C14 H16 Cu2 I2 N2 S -","- C28 H32 Cu4 I4 N4 S2 -","2","1","","","","","","","","","","","","","0.71069","MoKα","","0.0325","0.0274","","","0.0699","0.0713","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100699","8.077","0.002","13.919","0.004","12.956","0.003","90","","94.728","0.003","90","","1451.6","0.6","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl2 Cu N2 O S -","- C12 H12 Cl2 Cu N2 O S -","- C48 H48 Cl8 Cu4 N8 O4 S4 -","4","1","","","","","","","","","","","","","0.71073","MoKα","","0.052","0.0374","","","0.0783","0.0829","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100700","13.657","0.004","8.278","0.003","14.071","0.004","90","","103.063","0.004","90","","1549.7","0.8","173","2","173","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C12 H12 Ag F6 N2 P S -","- C12 H12 Ag F6 N2 P S -","- C48 H48 Ag4 F24 N8 P4 S4 -","4","1","","Caradoc-Davies, Paula L.; Hanton, Lyall R.; Lee, Kitty","Extension of a π-stacked N~2~S ligand to form bi- and tri-nuclear silver(I) complexes","Chemical Communications (Cambridge, United Kingdom)","2000","","9","783","784","10.1039/a910342m","","","0.71073","MoKα","","0.0426","0.0353","","","0.0899","0.094","","","","","","1.06","","","","has coordinates","178221","2020-10-21","18:00:00",""
"1100701","13.277","0.005","15.822","0.005","14.031","0.005","90","0.005","108.144","0.005","90","0.005","2800.9","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Ag2 N6 O6 S2 -","- C24 H24 Ag2 N6 O6 S2 -","- C96 H96 Ag8 N24 O24 S8 -","4","1","","","","","","","","","","","","","0.71069","MoKα","","0.3282","0.1869","","","0.5071","0.5275","","","","","","1.291","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100702","8.371","0.005","10.844","0.005","13.407","0.005","66.954","0.005","80.26","0.005","73.6","0.005","1072","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H18 Ag Cl N4 O4 S2 -","- C18 H18 Ag Cl N4 O4 S2 -","- C36 H36 Ag2 Cl2 N8 O8 S4 -","2","1","","","","","","","","","","","","","0.71069","MoKα","","0.0331","0.031","","","0.0851","0.0865","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100703","11.445","0.005","13.146","0.005","17.529","0.005","100.182","0.005","92.571","0.005","115.658","0.005","2317.8","1.5","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Ag4 N12 O13 S4 -","- C36 H36 Ag4 N12 O13 S4 -","- C72 H72 Ag8 N24 O26 S8 -","2","1","","Caradoc-Davies, Paula L.; Hanton, Lyall R.; Henderson, William","Coordination polymers and isomerism; a study using silver(I) and a π-stacked ligand","Journal of the Chemical Society, Dalton Transactions","2001","","19","2749","2755","10.1039/b104284j","","","0.71069","MoKα","","0.0659","0.039","","","0.0979","0.1061","","","","","","0.951","","","","has coordinates,has disorder","180573","2020-10-21","18:00:00",""
"1100704","9.182","0.002","9.182","0.002","52.48","0.018","90","","90","","120","","3831.7","1.9","163","2","163","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H22 Ag2 Cl2 N4 O8 S2 -","- C20 H22 Ag2 Cl2 N4 O8 S2 -","- C120 H132 Ag12 Cl12 N24 O48 S12 -","6","0.5","","Caradoc-Davies, Paula L.; Hanton, Lyall R.","Formation of a Single-Stranded Silver(I) Helical Coordination Polymer Containing π-Stacked Planar Chiral N~4~S~2~ Ligands","Chemical Communications (Cambridge, United Kingdom)","2001","","12","1098","1099","10.1039/b101875m","","","0.71073","MoKα","","0.0434","0.042","","","0.0887","0.0893","","","","","","1.177","","","","has coordinates","176868","2020-10-21","18:00:00",""
"1100705","10.033","0.001","8.7293","0.0008","12.3735","0.0011","90","","91.421","0.001","90","","1083.35","0.18","158","2","158","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu2 I2 N4 S2 -","- C18 H18 Cu2 I2 N4 S2 -","- C36 H36 Cu4 I4 N8 S4 -","2","0.5","","","","","","","","","","","","","0.71073","MoKα","","0.0313","0.029","","","0.0709","0.0729","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100706","9.0697","0.0005","11.5456","0.0006","13.9266","0.0008","90","","102.3","0.001","90","","1424.85","0.14","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H2 In O14 Rb3 Si5 -","- H2 In O14 Rb3 Si5 -","- H8 In4 O56 Rb12 Si20 -","4","1","","Ling-I Hung; Sue-Lein Wang; Chia-Yi Chen; Bor-Chen Chang; Kwang-Hwa Lii","Rb3In(H2O)Si5O13: A Novel Indium Silicate with a CdSO4-Topological-Type Structure","Inorganic Chemistry","2005","44","","2992","2994","10.1021/ic048296n","","","0.71073","MoKα","","0.0211","0.0209","","","0.0521","0.0522","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100707","8.919","0.005","15.424","0.007","10.074","0.005","90","","107.047","0.015","90","","1325","1.2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Pt(C(NHCH3)2)4] 2[Au(CN)2]","","","- C16 H32 Au2 N12 Pt -","- C16 H32 Au2 N12 Pt -","- C32 H64 Au4 N24 Pt2 -","2","0.5","","Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch","Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions","Inorganic Chemistry","2005","44","","3466","3472","10.1021/ic048333a","","","0.71073","MoKα","","0.0577","0.0527","","","0.1338","0.1408","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100708","8.3863","0.0005","8.4243","0.0005","10.8888","0.0007","86.48","0.002","74.549","0.002","89.27","0.003","740.07","0.08","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[Pt(C(NHCH~3~)~2~)~4~][Ag(CN)~2~][Ag~2~(CN)~3~]","","","- C16 H32 Ag3 N14 Pt -","- C16 H32 Ag3 N14 Pt -","- C16 H32 Ag3 N14 Pt -","1","0.5","","Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch","Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions","Inorganic Chemistry","2005","44","","3466","3472","10.1021/ic048333a","","","0.71073","MoKα","","0.0283","0.0236","","","0.058","0.0625","","","","","","0.904","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100709","7.0515","0.0013","9.2481","0.0014","9.2728","0.0018","75.077","0.002","77.247","0.005","79.743","0.006","565.16","0.17","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[Pt(bpy)~2~][Au(CN)~2~]~2~","","","- C24 H16 Au2 N8 Pt -","- C24 H16 Au2 N8 Pt -","- C24 H16 Au2 N8 Pt -","1","0.5","","Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch","Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions","Inorganic Chemistry","2005","44","","3466","3472","10.1021/ic048333a","","","0.71073","MoKα","","0.0387","0.0354","","","0.0903","0.0921","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100710","6.3598","0.0006","6.9603","0.0007","9.0333","0.0009","88.311","0.002","79.576","0.002","74.306","0.002","378.53","0.06","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[Pt(en)~2~][Au(CN)~2~]~2~","","","- C8 H16 Au2 N8 Pt -","- C8 H16 Au2 N8 Pt -","- C8 H16 Au2 N8 Pt -","1","0.5","","Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch","Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions","Inorganic Chemistry","2005","44","","3466","3472","10.1021/ic048333a","","","0.71073","MoKα","","0.0205","0.0205","","","0.0501","0.0501","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100711","6.3899","0.0004","6.9793","0.0005","8.9383","0.0006","89.026","0.001","79.631","0.001","73.716","0.001","376.15","0.04","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[Pt(en)~2~][Ag(CN)~2~]~2~","","","- C8 H16 Ag2 N8 Pt -","- C8 H16 Ag2 N8 Pt -","- C8 H16 Ag2 N8 Pt -","1","0.5","","Jay R. Stork; Daniel Rios; David Pham; Vincent Bicocca; Marilyn M. Olmstead; Alan L. Balch","Metal-Metal Interactions in Platinum(II)/Gold(I) or Platinum(II)/Silver(I) Salts Containing Planar Cations and Linear Anions","Inorganic Chemistry","2005","44","","3466","3472","10.1021/ic048333a","","","0.71073","MoKα","","0.0151","0.0151","","","0.0391","0.0391","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100712","9.444","0.001","10.522","0.001","19.75","0.001","88.64","0.01","89.6","0.01","67.44","0.01","1811.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 Ge N2 O Zr -","- C40 H54 Ge N2 O Zr -","- C80 H108 Ge2 N4 O2 Zr2 -","2","1","","Leslie W. Pineda; Vojtech Jancik; Herbert W. Roesky; Regine Herbst-Irmer","OH Functionality of Germanium(II) Compounds for the Formation of Heterobimetallic Oxides","Inorganic Chemistry","2005","44","","3537","3540","10.1021/ic048383f","","","1.54178","CuKα","","0.0297","0.0288","","","0.0728","0.0735","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100713","9.323","0.001","10.474","0.001","20.2","0.001","89.13","0.01","89.87","0.01","67.04","0.01","1816","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 Ge Hf N2 O -","- C40 H54 Ge Hf N2 O -","- C80 H108 Ge2 Hf2 N4 O2 -","2","1","","Leslie W. Pineda; Vojtech Jancik; Herbert W. Roesky; Regine Herbst-Irmer","OH Functionality of Germanium(II) Compounds for the Formation of Heterobimetallic Oxides","Inorganic Chemistry","2005","44","","3537","3540","10.1021/ic048383f","","","1.54178","CuKα","","0.0296","0.0287","","","0.0782","0.0785","","","","","","1.265","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100714","23.935","0.003","14.2035","0.0016","22.489","0.003","90","","106.99","0.02","90","","7311.7","1.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H156 F24 N16 O32 P4 Zn8 -","- C108 H156 F24 N16 O32 P4 Zn8 -","- C216 H312 F48 N32 O64 P8 Zn16 -","2","0.25","","Jingwen Chen; Xiaoyong Wang; Yangguang Zhu; Jun Lin; Xiaoliang Yang; Yizhi Li; Yi Lu; Zijian Guo","An Asymmetric Dizinc Phosphodiesterase Model with Phenolate and Carboxylate Bridges","Inorganic Chemistry","2005","44","","3422","3430","10.1021/ic048654m","","","0.71073","MoKα","","0.0631","0.0484","","","0.1325","0.1385","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100715","12.6448","0.0011","12.9364","0.0012","16.7806","0.0016","84.98","0.011","76.41","0.01","67.177","0.01","2459.2","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H58 N2 P4 W -","- C57 H58 N2 P4 W -","- C114 H116 N4 P8 W2 -","2","1","","Kay H. Horn; Natascha Böres; Nicolai Lehnert; Klaus Mersmann; Christian Näther; Gerhard Peters; Felix Tuczek","Reduction Pathway of End-On Terminally Coordinated Dinitrogen. IV. Geometric, Electronic, and Vibrational Structure of a W(IV) Dialkylhydrazido Complex and Its Two-Electron-Reduced Derivative Undergoing N-N Cleavage upon Protonation","Inorganic Chemistry","2005","44","","3016","3030","10.1021/ic048675g","","","0.71073","MoKα","","0.0599","0.0423","","","0.0922","0.0989","","","","","","1.006","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100717","21.232","0.005","21.232","0.005","4.323","0.002","90","","90","","120","","1687.7","1","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Br3 La9 Sb16 -","- Br3 La9 Sb16 -","- Br6 La18 Sb32 -","2","0.166667","","Chong Zheng; Hansjürgen Mattausch; Arndt Simon","La9Sb16Br3 and Ce9Sb16Cl3: Stars and Stripes in Rare Earth Halide and Intermetallic Compounds","Inorganic Chemistry","2005","44","","3684","3689","10.1021/ic049220u","","","0.71073","MoKα","","0.0411","0.0411","","","0.0866","0.0866","","","","","","1.608","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100718","20.8622","0.0016","20.8622","0.0016","4.2728","0.0007","90","","90","","120","","1610.5","0.3","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Ce9 Cl3 Sb16 -","- Ce9 Cl3 Sb16 -","- Ce18 Cl6 Sb32 -","2","0.166667","","Chong Zheng; Hansjürgen Mattausch; Arndt Simon","La9Sb16Br3 and Ce9Sb16Cl3: Stars and Stripes in Rare Earth Halide and Intermetallic Compounds","Inorganic Chemistry","2005","44","","3684","3689","10.1021/ic049220u","","","0.71073","MoKα","","0.0521","0.0519","","","0.1043","0.1044","","","","","","1.486","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100719","13.3916","0.0005","13.4574","0.0005","20.1343","0.0007","73.226","0.001","86.07","0.001","64.368","0.001","3125.6","0.2","141","2","141","2","","","","","","","","6","P -1","-P 1","2","AMA232","","","- C67 H84 B2 Cu2 N8 O7 -","- C67 H84 B2 Cu2 N8 O7 -","- C134 H168 B4 Cu4 N16 O14 -","2","1","","Aaron M. Appel; Rachel Newell; Daniel L. DuBois; M. Rakowski DuBois","Concentration of Carbon Dioxide by Electrochemically Modulated Complexation with a Binuclear Copper Complex","Inorganic Chemistry","2005","44","","3046","3056","10.1021/ic050023k","","","0.71073","MoKα","","0.1163","0.0663","","","0.1515","0.1763","","","","","","0.985","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100720","9.4708","0.0004","25.913","0.0011","31.6182","0.0013","90","","101.79","0.001","90","","7595.9","0.6","141","2","141","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cu2(CO3)(tpmc)(BPh4)2","","","- C340.43 H348.62 B8 Cu8 N36.22 O20 -","- C340.432 H348.648 B8 Cu8 N36.216 O20 -","- C340.432 H348.648 B8 Cu8 N36.216 O20 -","1","0.25","","Aaron M. Appel; Rachel Newell; Daniel L. DuBois; M. Rakowski DuBois","Concentration of Carbon Dioxide by Electrochemically Modulated Complexation with a Binuclear Copper Complex","Inorganic Chemistry","2005","44","","3046","3056","10.1021/ic050023k","","","0.71073","MoKα","","0.1448","0.1092","","","0.2472","0.2644","","","","","","1.159","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100721","3.3583","0.0004","3.3583","0.0004","14.3468","0.0019","90","","90","","120","","140.13","0.03","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","Manganese carbodiimide","","","- C Mn N2 -","- C Mn N2 -","- C3 Mn3 N6 -","3","0.0833333","","Xiaohui Liu; Manuel Krott; Paul Müller; Chunhua Hu; Heiko Lueken; Richard Dronskowski","Synthesis, Crystal Structure, and Properties of MnNCN, the First Carbodiimide of a Magnetic Transition Metal","Inorganic Chemistry","2005","44","","3001","3003","10.1021/ic050050a","","","0.71073","MoKα","","0.0251","0.0251","","","0.0593","0.0594","","","","","","1.166","","","","has coordinates","176729","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",""
"1100724","9.5809","0.0019","18.196","0.004","17.263","0.004","90","","105.54","0.03","90","","2899.5","1.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N4 O3 -","- C36 H30 N4 O3 -","- C144 H120 N16 O12 -","4","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.1053","0.0574","","","0.1497","0.1667","","","","","","1.105","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100725","10.188","0.002","22.928","0.005","13.624","0.003","90","","93.11","0.03","90","","3177.7","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 Cl4 Hg N4 O2 -","- C33 H24 Cl4 Hg N4 O2 -","- C132 H96 Cl16 Hg4 N16 O8 -","4","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.0607","0.0413","","","0.1103","0.117","","","","","","1.09","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100726","17.124","0.003","11.727","0.002","16.249","0.003","90","","103.84","0.03","90","","3168.3","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Cl4 Hg N4 O2 -","- C33 H24 Cl4 Hg N4 O2 -","- C132 H96 Cl16 Hg4 N16 O8 -","4","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.092","0.0432","","","0.084","0.0983","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100727","17.239","0.003","11.94","0.002","16.268","0.003","90","","103.34","0.03","90","","3258.2","1.1","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Br2 Cl2 Hg N4 O2 -","- C33 H24 Br2 Cl2 Hg N4 O2 -","- C132 H96 Br8 Cl8 Hg4 N16 O8 -","4","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.0631","0.0426","","","0.1016","0.1092","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100728","20.856","0.004","15.847","0.003","23.865","0.005","90","","96.91","0.03","90","","7830","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34.25 H27 Cl4.5 Hg I2 N4 O2 -","- C34.25 H27 Cl4.5 Hg I2 N4 O2 -","- C274 H216 Cl36 Hg8 I16 N32 O16 -","8","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.1469","0.074","","","0.1917","0.2271","","","","","","0.975","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1100729","15.023","0.003","15.582","0.003","16.554","0.003","90","","90","","90","","3875.1","1.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H34 Cl2 Hg I2 N4 O3 -","- C37 H34 Cl2 Hg I2 N4 O3 -","- C148 H136 Cl8 Hg4 I8 N16 O12 -","4","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.0689","0.0465","","","0.1014","0.1096","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100730","18.204","0.004","10.865","0.002","16.03","0.003","90","","91.91","0.03","90","","3168.8","1.1","396","2","396","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25.2 Cl2.8 Hg0.95 N4 O2.6 -","- C33 H25.2 Cl2.8 Hg0.95 N4 O2.6 -","- C132 H100.8 Cl11.2 Hg3.8 N16 O10.4 -","4","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.0876","0.0709","","","0.1892","0.2008","","","","","","1.049","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1100731","18.187","0.004","11.165","0.002","16.286","0.003","90","","92.5","0.03","90","","3303.9","1.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 Br2 Cl2 Hg N4 O2 -","- C33 H22 Br2 Cl2 Hg N4 O2 -","- C132 H88 Br8 Cl8 Hg4 N16 O8 -","4","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.0741","0.0514","","","0.1331","0.1486","","","","","","0.988","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100732","16.652","0.003","12.318","0.003","16.223","0.003","90","","102.03","0.03","90","","3254.6","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H24 Br3 Hg1.5 N4 O2.5 -","- C32.5 H24 Br3 Hg1.5 N4 O2.5 -","- C130 H96 Br12 Hg6 N16 O10 -","4","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.081","0.0625","","","0.182","0.1954","","","","","","1.027","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1100733","34.84","0.007","13.241","0.003","16.423","0.003","90","","103.28","0.03","90","","7374","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Hg1.5 I3 N4 O4 -","- C34 H30 Hg1.5 I3 N4 O4 -","- C272 H240 Hg12 I24 N32 O32 -","8","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.1247","0.0957","","","0.2766","0.3016","","","","","","1.016","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1100734","26.836","0.004","26.836","0.004","53.305","0.011","90","","90","","120","","33246","10","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C65 H46.33 Cl2 Hg2.17 I4.33 N8 O4.17 -","- C65 H46.34 Cl2 Hg2.16667 I4.33333 N8 O4.16667 -","- C1170 H834.12 Cl36 Hg39 I78 N144 O75 -","18","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.1482","0.0954","","","0.2451","0.2819","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100735","16.432","0.003","21.204","0.004","25.86","0.005","88.82","0.03","82.32","0.03","69.61","0.03","8367","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- Cl3 Eu H82 K5 O155.5 P4 W34 -","- Cl3 Eu K5 O155.5 P4 W34 -","- Cl6 Eu2 K10 O311 P8 W68 -","2","1","","Cheng Zhang; Robertha C. Howell; Qun-Hui Luo; Heidi L. Fieselmann; Louis J. Todaro; Lynn C. Francesconi","Influence of Steric and Electronic Properties of the Defect Site, Lanthanide Ionic Radii, and Solution Conditions on the Composition of Lanthanide(III) α1-P2W17O6110-Polyoxometalates","Inorganic Chemistry","2005","44","","3569","3578","10.1021/ic050103o","","","0.71073","MoKα","","0.1786","0.1125","","","0.2761","0.3158","","","","","","1.053","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100736","41.339","0.008","15.636","0.003","24.988","0.005","90","","104.53","0.03","90","","15635","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- K14 La O158 P4 W34 -","- K14 La O158 P4 W34 -","- K56 La4 O632 P16 W136 -","4","0.5","","Cheng Zhang; Robertha C. Howell; Qun-Hui Luo; Heidi L. Fieselmann; Louis J. Todaro; Lynn C. Francesconi","Influence of Steric and Electronic Properties of the Defect Site, Lanthanide Ionic Radii, and Solution Conditions on the Composition of Lanthanide(III) α1-P2W17O6110-Polyoxometalates","Inorganic Chemistry","2005","44","","3569","3578","10.1021/ic050103o","","","0.71073","MoKα","","0.1162","0.0744","","","0.1953","0.236","","","","","","1.07","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100737","41.072","0.008","16.152","0.003","24.933","0.005","90","","104.63","0.03","90","","16004","6","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- Cl4 H92 K4 Na6 Nd O162 P4 W34 -","- Cl4 K4 Na4 Nd O162 P4 W34 -","- Cl16 K16 Na16 Nd4 O648 P16 W136 -","4","0.5","","Cheng Zhang; Robertha C. Howell; Qun-Hui Luo; Heidi L. Fieselmann; Louis J. Todaro; Lynn C. Francesconi","Influence of Steric and Electronic Properties of the Defect Site, Lanthanide Ionic Radii, and Solution Conditions on the Composition of Lanthanide(III) α1-P2W17O6110-Polyoxometalates","Inorganic Chemistry","2005","44","","3569","3578","10.1021/ic050103o","","","0.71073","MoKα","","0.1846","0.1221","","","0.2982","0.3469","","","","","","1.044","","","","has coordinates","186650","2020-10-21","18:00:00",""
"1100738","13.236","0.002","13.659","0.002","14.778","0.002","94.841","0.003","101.952","0.004","97.012","0.004","2577.7","0.6","223.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H61 B Mn N5 O2 -","- C58 H61 B Mn N5 O2 -","- C116 H122 B2 Mn2 N10 O4 -","2","1","","Yutaka Hitomi; Akira Ando; Hajime Matsui; Tomoyuki Ito; Tsunehiro Tanaka; Seiji Ogo; Takuzo Funabiki","Aerobic Catechol Oxidation Catalyzed by a Bis(μ-oxo)dimanganese(III,III) Complex via a Manganese(II)-Semiquinonate Complex","Inorganic Chemistry","2005","44","","3473","3478","10.1021/ic050109d","","","0.7107","MoKα","","","0.0554","","","","0.1279","","","","","","1.618","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100739","19.474","0.002","14.884","0.002","24.538","0.003","90","","105.37","0.003","90","","6858","1.4","243.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H76 B2 Mn2 N8 O2 -","- C84 H76 B2 Mn2 N8 O2 -","- C336 H304 B8 Mn8 N32 O8 -","4","0.5","","Yutaka Hitomi; Akira Ando; Hajime Matsui; Tomoyuki Ito; Tsunehiro Tanaka; Seiji Ogo; Takuzo Funabiki","Aerobic Catechol Oxidation Catalyzed by a Bis(μ-oxo)dimanganese(III,III) Complex via a Manganese(II)-Semiquinonate Complex","Inorganic Chemistry","2005","44","","3473","3478","10.1021/ic050109d","","","0.7107","MoKα","","","0.066","","","","0.1797","","","","","","1.055","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100740","10.9413","0.0017","11.9501","0.0017","13.0235","0.0016","77.422","0.016","76.19","0.017","74.858","0.017","1574.1","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(PPh4)[Ni(midt)2]","","","- C32 H22 N2 Ni O4 P S4 -","- C32 H22 N2 Ni O4 P S4 -","- C64 H44 N4 Ni2 O8 P2 S8 -","2","1","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail","A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups","Inorganic Chemistry","2005","44","","3380","3382","10.1021/ic050174n","","","0.71073","MoKα","","0.0872","0.0396","","","0.0702","0.0783","","","","","","0.781","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100741","13.0034","0.0012","18.3544","0.0014","22.048","0.002","90","","93.924","0.011","90","","5249.9","0.8","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(PPh4)2 Ni(midt)2 CH3CN","","","- C58 H45 N3 Ni O4 P2 S4 -","- C58 H45 N3 Ni O4 P2 S4 -","- C232 H180 N12 Ni4 O16 P8 S16 -","4","1","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail","A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups","Inorganic Chemistry","2005","44","","3380","3382","10.1021/ic050174n","","","0.71073","MoKα","","0.067","0.0291","","","0.0488","0.0585","","","","","","0.711","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100742","13.0984","0.0016","13.3622","0.0019","15.772","0.002","90.929","0.016","108.964","0.014","113.839","0.014","2352.9","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","(n-Bu4N)2(Ni(midt)2)","","","- C40 H74 N4 Ni O4 S4 -","- C40 H74 N4 Ni O4 S4 -","- C80 H148 N8 Ni2 O8 S8 -","2","1","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail","A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups","Inorganic Chemistry","2005","44","","3380","3382","10.1021/ic050174n","","","0.71073","MoKα","","0.0678","0.0354","","","0.0734","0.0793","","","","","","0.854","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100743","10.318","0.0014","13.0706","0.0019","15.399","0.002","114.341","0.015","94.651","0.016","101.106","0.017","1826.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(PPh4)[Ni(madt)2](H2O)","","","- C32 H24 N4 Ni O5 P S4 -","- C32 H28 N4 Ni O5 P S4 -","- C64 H56 N8 Ni2 O10 P2 S8 -","2","1","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail","A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups","Inorganic Chemistry","2005","44","","3380","3382","10.1021/ic050174n","","","0.71073","MoKα","","0.0803","0.0549","","","0.1789","0.1938","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100744","9.1252","0.0017","11.804","0.003","12.478","0.003","70.09","0.03","77.79","0.02","76.68","0.03","1216.7","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","(n-Bu4N)[Ni(mant)2]","","","- C40 H76 N6 Ni O2 S4 -","- C40 H76 N6 Ni O2 S4 -","- C40 H76 N6 Ni O2 S4 -","1","0.5","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail","A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups","Inorganic Chemistry","2005","44","","3380","3382","10.1021/ic050174n","","","0.71073","MoKα","","0.1528","0.0414","","","0.0625","0.0874","","","","","","0.592","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100745","10.1114","0.0016","13.1679","0.0017","14.002","0.002","72.019","0.016","70.639","0.017","77.02","0.017","1657.4","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(n-Bu4N)2[Ni(mant)2]","","","- C32 H24 N4 Ni O2 P S4 -","- C32 H24 N4 Ni O2 P S4 -","- C64 H48 N8 Ni2 O4 P2 S8 -","2","1","","Stéphane A. Baudron; Narcis Avarvari; Patrick Batail","A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups","Inorganic Chemistry","2005","44","","3380","3382","10.1021/ic050174n","","","0.71073","MoKα","","0.1752","0.0515","","","0.0911","0.1162","","","","","","0.728","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100746","6.403","0.005","10.388","0.005","16.976","0.005","84.087","0.005","84.161","0.005","79.369","0.005","1099.9","1.1","176","2","176","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Cl N4 O5 Re -","- C24 H14 Cl N4 O5 Re -","- C48 H28 Cl2 N8 O10 Re2 -","2","1","","Natasha J. Lundin; Penny J. Walsh; Sarah L. Howell; John J. McGarvey; Allan G. Blackman; Keith C. Gordon","Complexes of Functionalized Dipyrido[3,2-a:2',3'-c]-phenazine: A Synthetic, Spectroscopic, Structural, and Density Functional Theory Study","Inorganic Chemistry","2005","44","","3551","3560","10.1021/ic050179k","","","0.71069","MoKα","","0.0536","0.041","","","0.0928","0.0978","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100747","19.506","0.005","18.043","0.005","13.32","0.005","90","","114.936","0.005","90","","4251","2","164","2","164","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 Br Cl N4 O4 Re -","- C22 H12 Br Cl N4 O4 Re -","- C176 H96 Br8 Cl8 N32 O32 Re8 -","8","1","","Natasha J. Lundin; Penny J. Walsh; Sarah L. Howell; John J. McGarvey; Allan G. Blackman; Keith C. Gordon","Complexes of Functionalized Dipyrido[3,2-a:2',3'-c]-phenazine: A Synthetic, Spectroscopic, Structural, and Density Functional Theory Study","Inorganic Chemistry","2005","44","","3551","3560","10.1021/ic050179k","","","0.71069","MoKα","","0.0345","0.0298","","","0.0791","0.0827","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100748","10.523","0.005","13.556","0.005","12.465","0.005","110.15","0.01","95.25","0.02","92.05","0.02","1658","1.2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H70.16 Cl2 Co4 N12 O27.08 -","- C54 H48 Cl2 Co4 N12 O27.08 -","- C54 H48 Cl2 Co4 N12 O27.08 -","1","0.5","","Theocharis C. Stamatatos; Stavroula Dionyssopoulou; Georgios Efthymiou; Panayotis Kyritsis; Catherine P. Raptopoulou; Aris Terzis; Ramon Vicente; Albert Escuer; Spyros P. Perlepes","The First Cobalt Metallacrowns: Preparation and Characterization of Mixed-Valence Cobalt(II/III), Inverse 12-Metallacrown-4 Complexes","Inorganic Chemistry","2005","44","","3374","3376","10.1021/ic050208r","","","0.71073","MoKα","","0.0785","0.0596","","0.1696","0.1546","","","","1.093","1.136","1.136","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100749","11.867","0.004","14.534","0.006","12.289","0.005","70.09","0.01","80.6","0.01","69.86","0.01","1868.5","1.3","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C59.6 H78.4 Co4 F12 N12 O17.6 P2 -","- C59.6 H44 Co4 F12 N12 O17.6 P2 -","- C59.6 H44 Co4 F12 N12 O17.6 P2 -","1","0.5","","Theocharis C. Stamatatos; Stavroula Dionyssopoulou; Georgios Efthymiou; Panayotis Kyritsis; Catherine P. Raptopoulou; Aris Terzis; Ramon Vicente; Albert Escuer; Spyros P. Perlepes","The First Cobalt Metallacrowns: Preparation and Characterization of Mixed-Valence Cobalt(II/III), Inverse 12-Metallacrown-4 Complexes","Inorganic Chemistry","2005","44","","3374","3376","10.1021/ic050208r","","","0.71073","MoKα","","0.0838","0.0544","","","0.139","0.1602","","","","","","1.068","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100750","6.8211","0.0014","9.6203","0.0019","13.172","0.003","90","","90","","90","","864.4","0.3","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- Ba6 Cl3 Mn4 O34 Si12 -","- Ba6 Cl3 Mn4 O34 Si12 -","- Ba6 Cl3 Mn4 O34 Si12 -","1","0.25","","Xunhua Mo; Erin Ferguson; Shiou-Jyh Hwu","Salt-Inclusion Synthesis of Two New Polar Solids, Ba6Mn4Si12O34Cl3 and Ba6Fe5Si11O34Cl3","Inorganic Chemistry","2005","44","","3121","3126","10.1021/ic050228t","","","0.71073","MoKα","","0.0474","0.0405","","","0.0868","0.0906","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100751","6.8782","0.0014","9.6635","0.0019","13.098","0.003","90","","90","","90","","870.6","0.3","298","2","298","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- Ba6 Cl3 Fe5 O34 Si11 -","- Ba6 Cl3 Fe5 O34 Si11 -","- Ba6 Cl3 Fe5 O34 Si11 -","1","0.25","","Xunhua Mo; Erin Ferguson; Shiou-Jyh Hwu","Salt-Inclusion Synthesis of Two New Polar Solids, Ba6Mn4Si12O34Cl3 and Ba6Fe5Si11O34Cl3","Inorganic Chemistry","2005","44","","3121","3126","10.1021/ic050228t","","","0.71073","MoKα","","0.027","0.026","","","0.0557","0.0561","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100752","17.5832","0.0004","17.5832","0.0004","12.1881","0.0006","90","","90","","90","","3768.2","0.2","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C10 H10 Cl5 Cu5 N2 S2 -","- C10 H10 Cl5 Cu5 N2 S2 -","- C80 H80 Cl40 Cu40 N16 S16 -","8","0.5","","Jian-Kai Cheng; Yu-Biao Chen; Ling Wu; Jian Zhang; Yi-Hang Wen; Zhao-Ji Li; Yuan-Gen Yao","A 3-D Noninterpenetrating Diamondoid Network of a Decanuclear Copper(I) Complex","Inorganic Chemistry","2005","44","","3386","3388","10.1021/ic050301f","","","0.71073","MoKα","","","0.0559","","","0.1001","0.1216","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1100753","13.9","0.04","18.83","0.05","19.15","0.05","91.11","0.05","93.27","0.05","90.39","0.05","5003","2","108","2","108","2","","","","","","","","8","P -1","-P 1","2","","","","- C92 H118 Cl2 F12 N16 O9 Pt2 Sb2 -","- C92 H118 Cl2 F12 N16 O9 Pt2 Sb2 -","- C184 H236 Cl4 F24 N32 O18 Pt4 Sb4 -","2","1","","James D. Crowley; Ian M. Steele; B. Bosnich","Supramolecular Recognition Forces: An Examination of Weak Metal-Metal Interactions in Host-Guest Formation","Inorganic Chemistry","2005","44","","2989","2991","10.1021/ic0481531","","","0.71073","MoKα","","0.0793","0.0678","","","0.1767","0.183","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100754","15.917","0.003","17.412","0.003","4.9587","0.001","90","","90","","90","","1374.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H11 Au N2 -","- C18 H11 Au N2 -","- C72 H44 Au4 N8 -","4","1","","James D. Crowley; Ian M. Steele; B. Bosnich","Supramolecular Recognition Forces: An Examination of Weak Metal-Metal Interactions in Host-Guest Formation","Inorganic Chemistry","2005","44","","2989","2991","10.1021/ic0481531","","","0.71073","MoKα","","0.0358","0.0331","","","0.078","0.0787","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100755","15.1085","0.0011","17.2305","0.0013","18.5398","0.0014","109.456","0.004","111.06","0.004","90.56","0.004","4200.6","0.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.5 H56.75 Fe N5.25 O6 -","- C41.5 H56.75 Fe N5.25 O6 -","- C166 H227 Fe4 N21 O24 -","4","2","","Panagiotis Angaridis; Jeff W. Kampf; Vincent L. Pecoraro","Multinuclear Fe(III) Complexes with Polydentate Ligands of the Family of Dicarboxyimidazoles: Nuclearity- and Topology-Controlled Syntheses and Magneto-Structural Correlations","Inorganic Chemistry","2005","44","","3626","3635","10.1021/ic0481879","","","0.71073","MoKα","","0.1202","0.0751","","","0.1898","0.2148","","","","","","0.981","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1100756","11.162","0.003","19.736","0.004","21.367","0.005","68.17","0.004","76.554","0.004","74.682","0.004","4166.6","1.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C78.5 H110.5 Cl3 Fe2 N8.5 O8 -","- C77.5 H109 Cl3 Fe2 N8 O8 -","- C155 H218 Cl6 Fe4 N16 O16 -","2","1","","Panagiotis Angaridis; Jeff W. Kampf; Vincent L. Pecoraro","Multinuclear Fe(III) Complexes with Polydentate Ligands of the Family of Dicarboxyimidazoles: Nuclearity- and Topology-Controlled Syntheses and Magneto-Structural Correlations","Inorganic Chemistry","2005","44","","3626","3635","10.1021/ic0481879","","","0.71073","MoKα","","0.0787","0.0591","","","0.1742","0.1851","","","","","","1.08","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1100757","12.641","0.002","17.362","0.003","33.972","0.006","80.73","0.011","88.282","0.011","85.548","0.011","7335","2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H98 Fe2 N6 O8 -","- C70.8185 H97.4555 Fe2 N6 O8 -","- C283.274 H389.822 Fe8 N24 O32 -","4","2","","Panagiotis Angaridis; Jeff W. Kampf; Vincent L. Pecoraro","Multinuclear Fe(III) Complexes with Polydentate Ligands of the Family of Dicarboxyimidazoles: Nuclearity- and Topology-Controlled Syntheses and Magneto-Structural Correlations","Inorganic Chemistry","2005","44","","3626","3635","10.1021/ic0481879","","","0.71073","MoKα","","0.0973","0.0571","","","0.1344","0.1539","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100758","26.567","0.005","15.983","0.003","26.753","0.005","90","","104.552","0.003","90","","10995","4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C109 H152.5 Fe3 N10.5 O10 -","- C109 H152.5 Fe3 N10.5 O10 -","- C436 H610 Fe12 N42 O40 -","4","1","","Panagiotis Angaridis; Jeff W. Kampf; Vincent L. Pecoraro","Multinuclear Fe(III) Complexes with Polydentate Ligands of the Family of Dicarboxyimidazoles: Nuclearity- and Topology-Controlled Syntheses and Magneto-Structural Correlations","Inorganic Chemistry","2005","44","","3626","3635","10.1021/ic0481879","","","0.71073","MoKα","","0.0715","0.0439","","","0.1126","0.1267","","","","","","1.023","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100759","6.72","0.002","9.494","0.003","10.682","0.003","111.979","0.004","96.879","0.005","106.678","0.005","585.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 Cu3 N4 O5 -","- C4 H10 Cu3 N4 O5 -","- C8 H20 Cu6 N8 O10 -","2","1","","Ji-Min Zheng; Stuart R. Batten; Miao Du","A Unique Cyanide-Bridged Three-Dimensional (3-D) Copper(II)-Copper(I) Mixed-Valence Polymer Containing 1-D Water Tapes with Cyclic Pentamer Units","Inorganic Chemistry","2005","44","","3371","3373","10.1021/ic0483491","","","0.71073","MoKα","","0.0461","0.0387","","","0.1041","0.1094","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100760","9.5419","0.0014","11.8807","0.0017","11.9229","0.0018","93.561","0.003","93.604","0.003","109.951","0.002","1263","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 P2 Ru2 Se4 -","- C46 H40 P2 Ru2 Se4 -","- C46 H40 P2 Ru2 Se4 -","1","0.5","","Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers","Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates","Inorganic Chemistry","2005","44","","3441","3448","10.1021/ic0483646","","","0.71073","MoKα","","0.0686","0.0443","","","0.1192","0.1295","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100761","12.401","0.003","13.607","0.003","14.801","0.003","90","","110.628","0.003","90","","2337.4","0.9","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Ru4 Se6 -","- C20 H20 Ru4 Se6 -","- C80 H80 Ru16 Se24 -","4","0.5","","Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers","Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates","Inorganic Chemistry","2005","44","","3441","3448","10.1021/ic0483646","","","0.71073","MoKα","","0.054","0.0347","","","0.0772","0.086","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100762","25.211","0.002","13.8374","0.0012","17.1079","0.0015","90","","119.506","0.001","90","","5194.1","0.8","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 P2 Ru2 Te6 -","- C46 H40 P2 Ru2 Te6 -","- C184 H160 P8 Ru8 Te24 -","4","0.5","","Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers","Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates","Inorganic Chemistry","2005","44","","3441","3448","10.1021/ic0483646","","","0.71073","MoKα","","0.0697","0.0426","","","0.0932","0.1022","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100763","9.3753","0.0016","14.52","0.002","19.117","0.003","81.536","0.003","83.552","0.003","74.87","0.003","2477.4","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H42 Cl2 P2 Ru2 Te6 -","- C47 H42 Cl2 P2 Ru2 Te6 -","- C94 H84 Cl4 P4 Ru4 Te12 -","2","1","","Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers","Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates","Inorganic Chemistry","2005","44","","3441","3448","10.1021/ic0483646","","","0.71073","MoKα","","0.0719","0.0496","","","0.1279","0.1459","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100764","10.1","0.019","13.8","0.03","14.71","0.03","90","","103.45","0.03","90","","1994","7","245","2","245","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H92 B4 N24 S8 Zn4 -","- C60 H92 B4 N24 S8 Zn4 -","- C60 H92 B4 N24 S8 Zn4 -","1","0.25","","Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp","Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes","Inorganic Chemistry","2005","44","10","3518","3523","10.1021/ic0484147","","","0.71073","MoKα","","0.1094","0.0474","","","0.0662","0.0863","","","","","","0.604","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100765","9.392","0.004","12.838","0.005","19.134","0.008","90","","90","","90","","2307.1","1.6","230","2","230","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 B N6 S2 Zn -","- C20 H25 B N6 S2 Zn -","- C80 H100 B4 N24 S8 Zn4 -","4","1","","Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp","Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes","Inorganic Chemistry","2005","44","10","3518","3523","10.1021/ic0484147","","","0.71073","MoKα","","0.0451","0.0333","","","0.0719","0.0777","","","","","","1.067","","","","has coordinates","175230","2020-10-21","18:00:00",""
"1100766","10.103","0.0017","23.398","0.004","10.1354","0.0017","90","","103.741","0.003","90","","2327.3","0.7","499","2","499","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 B Cl N6 S2 Zn -","- C19 H22 B Cl N6 S2 Zn -","- C76 H88 B4 Cl4 N24 S8 Zn4 -","4","1","","Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp","Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes","Inorganic Chemistry","2005","44","10","3518","3523","10.1021/ic0484147","","","0.71073","MoKα","","0.0833","0.0406","","","0.0767","0.0903","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100768","21.345","0.004","8.6672","0.0016","24.5","0.005","90","","98.926","0.004","90","","4477.6","1.5","245","2","245","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 B N6 S2 Zn -","- C19 H23 B N6 S2 Zn -","- C152 H184 B8 N48 S16 Zn8 -","8","1","","Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp","Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes","Inorganic Chemistry","2005","44","10","3518","3523","10.1021/ic0484147","","","0.71073","MoKα","","0.1475","0.0473","","","0.0903","0.118","","","","","","0.907","","","","has coordinates","175230","2020-10-21","18:00:00",""
"1100769","20.688","0.004","8.5506","0.0017","25.364","0.005","90","","100.111","0.004","90","","4417.1","1.5","245","2","245","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 B Cl N6 S2 Zn -","- C18 H20 B Cl N6 S2 Zn -","- C144 H160 B8 Cl8 N48 S16 Zn8 -","8","1","","Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp","Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes","Inorganic Chemistry","2005","44","10","3518","3523","10.1021/ic0484147","","","0.71073","MoKα","","0.0631","0.0351","","","0.07","0.0774","","","","","","0.892","","","","has coordinates","175230","2020-10-21","18:00:00",""
"1100770","8.798","0.0013","10.1982","0.0015","17.945","0.003","90","","90","","90","","1610.1","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N Ni O5 P -","- C6 H8 N Ni O5 P -","- C48 H64 N8 Ni8 O40 P8 -","8","1","","Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng","Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O","Inorganic Chemistry","2005","44","","3599","3604","10.1021/ic0484248","","","0.71073","MoKα","","0.1099","0.0541","","","0.0834","0.0958","","","","","","0.919","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100771","23.344","0.006","5.2745","0.0014","16.571","0.004","90","","121.576","0.004","90","","1738.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Cd N O5 P -","- C6 H8 Cd N O5 P -","- C48 H64 Cd8 N8 O40 P8 -","8","1","","Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng","Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O","Inorganic Chemistry","2005","44","","3599","3604","10.1021/ic0484248","","","0.71073","MoKα","","0.0953","0.0715","","","0.112","0.1192","","","","","","1.218","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100772","22.2714","0.0016","22.2714","0.0016","9.8838","0.0011","90","","90","","120","","4245.7","0.6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H33 Gd N3 O18 P3 -","- C18 H33 Gd N3 O18 P3 -","- C108 H198 Gd6 N18 O108 P18 -","6","0.333333","","Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng","Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O","Inorganic Chemistry","2005","44","","3599","3604","10.1021/ic0484248","","","0.71073","MoKα","","0.0627","0.0516","","","0.1502","0.1532","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100773","14.9131","0.0012","12.6146","0.001","24.0113","0.0019","90","","99.792","0.002","90","","4451.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H27 Cr F15 N5 -","- C53 H27 Cr F15 N5 -","- C212 H108 Cr4 F60 N20 -","4","1","","Nicola Y. Edwards; Rebecca A. Eikey; Megan I. Loring; Mahdi M. Abu-Omar","High-Valent Imido Complexes of Manganese and Chromium Corroles","Inorganic Chemistry","2005","44","","3700","3708","10.1021/ic0484506","","","0.71073","MoKα","","0.0997","0.0437","","","0.091","0.116","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100774","14.243","0.0018","14.243","0.0018","28.419","0.005","90","","90","","90","","5765.2","1.4","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C14 H10 N8 Zn -","- C14 H10 N8 Zn -","- C224 H160 N128 Zn16 -","16","1","","Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue","A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis","Inorganic Chemistry","2005","44","","3618","3625","10.1021/ic0500098","","","0.71073","MoKα","","0.045","0.0317","","","0.0894","0.0929","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100775","10.485","0.0016","10.485","0.0016","13.088","0.003","90","","90","","90","","1438.8","0.5","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C12 H10 Cl0 N12 Zn -","- C12 H10 N12 Zn -","- C48 H40 N48 Zn4 -","4","0.25","","Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue","A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis","Inorganic Chemistry","2005","44","","3618","3625","10.1021/ic0500098","","","0.71073","MoKα","","0.0502","0.0449","","","0.1179","0.1196","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100776","14.0469","0.0008","23.9451","0.0013","14.2106","0.0008","90","","110.88","0.001","90","","4465.9","0.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","J*N(Me)Tl","","","- C25.75 H30 N O0.25 Tl -","- C25.75 H30 N O0.25 Tl -","- C206 H240 N8 O2 Tl8 -","8","2","","Robert J. Wright; Marcin Brynda; Philip P. Power","A Monomeric Thallium(I) Amide in the Solid State: Synthesis and Structure of TlN(Me)Ar^Mes~2~^ (Ar^Mes~2~^= C~6~H~3~-2,6-Mes~2~)","Inorganic Chemistry","2005","44","","3368","3370","10.1021/ic0500255","","","0.71073","MoKα","","0.0566","0.0301","","","0.0663","0.0728","","","","","","1.035","","","","has coordinates","192294","2020-10-21","18:00:00",""
"1100777","8.648","0.003","10.323","0.003","15.103","0.005","90","","90.879","0.006","90","","1348.1","0.8","295","2","295","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- Na2 O8 S2 Zn -","- Na2 O8 S2 Zn -","- Na16 O64 S16 Zn8 -","8","2","","Rolf W. Berg; Niels Thorup","The Reaction between ZnO and Molten Na2S2O7 or K2S2O7 Forming Na2Zn(SO4)2 or K2Zn(SO4)2, Studied by Raman Spectroscopy and X-ray Diffraction","Inorganic Chemistry","2005","44","","3485","3493","10.1021/ic0500513","","","0.71073","MoKα","","0.0758","0.0369","","","0.081","0.0945","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100778","5.3582","0.0011","8.7653","0.0018","16.152","0.003","90","","91.78","0.03","90","","758.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K2 O8 S2 Zn -","- K2 O8 S2 Zn -","- K8 O32 S8 Zn4 -","4","1","","Rolf W. Berg; Niels Thorup","The Reaction between ZnO and Molten Na2S2O7 or K2S2O7 Forming Na2Zn(SO4)2 or K2Zn(SO4)2, Studied by Raman Spectroscopy and X-ray Diffraction","Inorganic Chemistry","2005","44","","3485","3493","10.1021/ic0500513","","","0.71073","MoKα","","0.0526","0.0351","","","0.0694","0.0758","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100779","22.69","0.002","16.6746","0.0017","18.1507","0.0019","90","","93.39","0.002","90","","6855.2","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H104 N12 O72 P12 S2 Zn14 -","- C72 H104 N12 O72 P12 S2 Zn14 -","- C144 H208 N24 O144 P24 S4 Zn28 -","2","0.25","","Deng-Ke Cao; Yi-Zhi Li; Li-Min Zheng","[Zn7{(2-C5H4N)CH(OH)PO3}6(H2O)6]SO4.4H2O: A Zinc Phosphonate Cluster with a Drum-like Cage Structure","Inorganic Chemistry","2005","44","","2984","2985","10.1021/ic0500659","","","0.71073","MoKα","","0.085","0.057","","","0.1159","0.1231","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100780","11.824","0.002","10.358","0.002","21.483","0.004","90","","108.296","0.004","90","","2498.1","0.8","153.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H78 N4 -","- C56 H78 N4 -","- C112 H156 N8 -","2","0.5","","Chizu Shimokawa; Shinobu Itoh","The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex","Inorganic Chemistry","2005","44","","3010","3012","10.1021/ic0501014","","","0.7107","MoKα","","","0.053","","","","0.054","","","","","","1.07","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100781","11.16","0.008","12.854","0.009","21.44","0.02","82.84","0.03","83.35","0.03","85.24","0.03","3024","4","153.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H78 Ag2 Cl4 N4 -","- C56 H78 Ag2 Cl4 N4 -","- C112 H156 Ag4 Cl8 N8 -","2","1","","Chizu Shimokawa; Shinobu Itoh","The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex","Inorganic Chemistry","2005","44","","3010","3012","10.1021/ic0501014","","","0.7107","MoKα","","","0.064","","","","0.065","","","","","","1.048","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100782","14.866","0.004","28.12","0.007","17.752","0.005","90","","118.873","0.003","90","","6498","3","153.1","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C113 H146 Ag4 Cl2 N12 -","- C113 H146 Ag4 Cl2 N12 -","- C226 H292 Ag8 Cl4 N24 -","2","0.5","","Chizu Shimokawa; Shinobu Itoh","The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex","Inorganic Chemistry","2005","44","","3010","3012","10.1021/ic0501014","","","0.7107","MoKα","","","0.05","","","","0.052","","","","","","1.065","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100783","12.432","0.002","16.167","0.002","15.208","0.003","90","","105.025","0.004","90","","2952.1","0.8","153.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H38 Ag Cl2 N3 O2 -","- C28 H38 Ag Cl2 N3 O2 -","- C112 H152 Ag4 Cl8 N12 O8 -","4","2","","Chizu Shimokawa; Shinobu Itoh","The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex","Inorganic Chemistry","2005","44","","3010","3012","10.1021/ic0501014","","","0.7107","MoKα","","","0.047","","","","0.05","","","","","","1.069","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100784","10.9754","0.0008","11.4045","0.0008","12.9314","0.0009","109.108","0.001","98.409","0.001","102.747","0.001","1449.22","0.18","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H58 Ag2 B2 F8 N12 O6 P2 -","- C54 H58 Ag2 B2 F8 N12 O6 P2 -","- C54 H58 Ag2 B2 F8 N12 O6 P2 -","1","0.5","","Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.","Supramolecular networks of silver(i) and iron(ii) complexes of the third generation tris(pyrazolyl)methane ligand Ph2(O)POCH2C(pz)3 (pz = pyrazolyl ring)","Dalton Transactions","2008","","17","2253","2260","10.1039/B719023A","","","0.71073","MoKα","","0.0455","0.0404","","","0.0993","0.1027","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100788","21.365","0.006","15.428","0.005","6.697","0.005","90","","90","","90","","2207","1","294.1","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H30 Ir2 N4 -","- C22 H30 Ir2 N4 -","- C88 H120 Ir8 N16 -","4","0.5","","Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes","Organometallics","2005","24","10","2251","2254","10.1021/om048978i","","","0.7107","MoKα","","","0.052","","","","0.054","","","","","","1.001","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100789","8.888","0.005","11.704","0.004","12.696","0.004","88.75","0.03","86.05","0.04","76.3","0.04","1280.2","0.9","294.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Ir2 N4 O2 -","- C24 H30 Ir2 N4 O2 -","- C48 H60 Ir4 N8 O4 -","2","1","","Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes","Organometallics","2005","24","10","2251","2254","10.1021/om048978i","","","0.7107","MoKα","","","0.026","","","","0.026","","","","","","1.006","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100790","19.199","0.005","13.714","0.005","9.781","0.003","90","","90","","90","","2575","1","108.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H39 Ir2 N4 P -","- C25 H39 Ir2 N4 P -","- C100 H156 Ir8 N16 P4 -","4","0.5","","Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes","Organometallics","2005","24","10","2251","2254","10.1021/om048978i","","","0.7107","MoKα","","","0.058","","","","0.068","","","","","","1.006","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100791","12.084","0.004","12.105","0.004","19.525","0.007","99.37","0.01","91.82","0.01","118.88","0.01","2447","1","294.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H61 Ir2 N4 P2 -","- C56 H61 Ir2 N4 P2 -","- C112 H122 Ir4 N8 P4 -","2","1","","Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes","Organometallics","2005","24","10","2251","2254","10.1021/om048978i","","","0.7107","MoKα","","","0.031","","","","0.036","","","","","","1.005","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100792","12.68","0.002","12.734","0.002","32.297","0.004","90","","90","","90","","5214","1","293.1","","","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C55 H64 B Cl2 Ir2 N4 Rh -","- C55 H64 B Cl2 Ir2 N4 Rh -","- C220 H256 B4 Cl8 Ir8 N16 Rh4 -","4","0.5","","Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes","Organometallics","2005","24","10","2251","2254","10.1021/om048978i","","","0.7107","MoKα","","","0.051","","","","0.052","","","","","","1.007","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100798","11.3691","0.0015","13.9028","0.0009","15.137","0.002","90","","108.131","0.012","90","","2273.8","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 N2 Si2 Zr -","- C18 H36 N2 Si2 Zr -","- C72 H144 N8 Si8 Zr4 -","4","1","","Cano, Jesús; Sudupe, María; Royo, Pascual; Mosquera, Marta E. G.","Insertion Reactions into the Metal‒Alkyl and Metal‒Amido Bonds of 1,3-Di(silyl-η-amido)cyclopentadienyl Titanium and Zirconium Complexes","Organometallics","2005","24","10","2424","2432","10.1021/om048984e","","x-ray","0.71073","MoKα","","0.0683","0.0402","","","0.0886","0.1001","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100799","11.119","0.002","19.43","0.004","15.805","0.002","90","","106.355","0.011","90","","3276.4","1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H49 N3 Si2 Zr -","- C33 H49 N3 Si2 Zr -","- C132 H196 N12 Si8 Zr4 -","4","1","","Cano, Jesús; Sudupe, María; Royo, Pascual; Mosquera, Marta E. G.","Insertion Reactions into the Metal‒Alkyl and Metal‒Amido Bonds of 1,3-Di(silyl-η-amido)cyclopentadienyl Titanium and Zirconium Complexes","Organometallics","2005","24","10","2424","2432","10.1021/om048984e","","x-ray","0.71073","MoKα","","0.1359","0.0636","","","0.121","0.1446","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1100800","9.7722","0.001","11.3369","0.0004","17.0066","0.0016","98.372","0.006","102.866","0.01","99.863","0.007","1776.2","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 N4 Si2 Ti -","- C36 H54 N4 Si2 Ti -","- C72 H108 N8 Si4 Ti2 -","2","1","","Cano, Jesús; Sudupe, María; Royo, Pascual; Mosquera, Marta E. G.","Insertion Reactions into the Metal–Alkyl and Metal–Amido Bonds of 1,3-Di(silyl-η-amido)cyclopentadienyl Titanium and Zirconium Complexes","Organometallics","2005","24","10","2424","2432","10.1021/om048984e","","x-ray","0.71073","MoKα","","0.1097","0.0614","","","0.1466","0.1654","","","","","","1.023","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100801","6.5764","0.0009","13.4764","0.0019","17.321","0.002","75.545","0.002","81.394","0.002","82.551","0.002","1462.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H62 Cl2 F24 N12 O4 P8 Ru2 -","- C34 H62 Cl2 F24 N12 O4 P8 Ru2 -","- C34 H62 Cl2 F24 N12 O4 P8 Ru2 -","1","0.5","","Mebi, Charles A.; Frost, Brian J.","Effect of pH on the Biphasic Catalytic Hydrogenation of Benzylidene Acetone Using CpRu(PTA)~2~H","Organometallics","2005","24","10","2339","2346","10.1021/om048987r","","","0.71073","MoKα","","0.1534","0.0669","","","0.1353","0.1524","","","","","","0.929","","","","has coordinates","180561","2020-10-21","18:00:00",""
"1100802","26.2152","0.0019","14.954","0.0011","6.4535","0.0005","90","","90","","90","","2529.9","0.3","123","2","123","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C17 H30 Cl F6 N6 O3 P3 Ru -","- C17 H30 Cl F6 N6 O3 P3 Ru -","- C68 H120 Cl4 F24 N24 O12 P12 Ru4 -","4","1","","Mebi, Charles A.; Frost, Brian J.","Effect of pH on the Biphasic Catalytic Hydrogenation of Benzylidene Acetone Using CpRu(PTA)~2~H","Organometallics","2005","24","10","2339","2346","10.1021/om048987r","","","0.71073","MoKα","","0.0745","0.0471","","","0.0918","0.0984","","","","","","0.928","","","","has coordinates","180561","2020-10-21","18:00:00",""
"1100803","18.2636","0.0011","9.3501","0.0004","9.2895","0.0004","90","","90","","90","","1586.34","0.14","133","2","133","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H23 Cl N2 O Pd -","- C13 H23 Cl N2 O Pd -","- C52 H92 Cl4 N8 O4 Pd4 -","4","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia; Jones, Peter G.","Reactivity of [Pd{CH~2~C(O)Me}Cl]~n~ toward Isocyanides","Organometallics","2005","24","10","2516","2527","10.1021/om048999c","","","0.71073","MoKα","","0.0166","0.0152","","","0.0381","0.0386","","","","","","1.044","","","","has coordinates","180560","2020-10-21","18:00:00",""
"1100804","8.6505","0.0005","11.8001","0.0005","18.7442","0.0014","83.546","0.005","87.742","0.005","70.234","0.004","1789.2","0.19","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H33 Cl3 F3 N3 O4 Pd S -","- C32 H33 Cl3 F3 N3 O4 Pd S -","- C64 H66 Cl6 F6 N6 O8 Pd2 S2 -","2","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia; Jones, Peter G.","Reactivity of [Pd{CH~2~C(O)Me}Cl]~n~ toward Isocyanides","Organometallics","2005","24","10","2516","2527","10.1021/om048999c","","","0.71073","MoKα","","0.0361","0.029","","","0.0684","0.0705","","","","","","1.041","","","","has coordinates,has disorder","180560","2020-10-21","18:00:00",""
"1100809","9.0352","0.0003","20.1007","0.0008","18.2507","0.0007","90","","104.14","0.002","90","","3214.2","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Ti{Me3SiNC(Ph)CH2CH2CH2NMe2}{OC(O)N-t-Bu}]","","- C30 H50 N4 O2 Si Ti -","- C30 H50 N4 O2 Si Ti -","- C120 H200 N16 O8 Si4 Ti4 -","4","1","","Boyd, Catherine L.; Clot, Eric; Guiducci, Aldo E.; Mountford, Philip","Pendant Arm Functionalized Benzamidinate Titanium Imido Compounds: Experimental and Computational Studies of Their Reactions with CO~2~","Organometallics","2005","24","10","2347","2367","10.1021/om049026f","","","0.71073","MoKα","","","0.0597","","","","0.0496","","","","","","1.0724","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1100810","12.7045","0.0004","16.1774","0.0004","22.812","0.0008","108.2","0.001","94.168","0.001","90.162","0.002","4440.5","","150","","150","","","","","","","","[Ti(N-t-Bu){Me3SiNC(C6H5)NCH2CH2NMe2}Cl] + CO2","6","P -1","-P 1","2","","[Ti2(mu-O)2(C5H4Me)2{Me3SiNC(C6H5)NCH2CH2NMe2}2]","","- C40 H62 N6 O2 Si2 Ti2 -","- C40 H62 N6 O2 Si2 Ti2 -","- C160 H248 N24 O8 Si8 Ti8 -","4","2","","Boyd, Catherine L.; Clot, Eric; Guiducci, Aldo E.; Mountford, Philip","Pendant Arm Functionalized Benzamidinate Titanium Imido Compounds: Experimental and Computational Studies of Their Reactions with CO~2~","Organometallics","2005","24","10","2347","2367","10.1021/om049026f","","","0.71073","MoKα","","","0.0522","","","","0.0575","","","","","","0.2534","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1100811","9.3597","0.0002","10.7886","0.0002","12.1749","0.0003","72.8419","0.0008","76.2046","0.0008","72.8192","0.0009","1106.74","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Ti2(mu-O)2(C5H4Me)2{Me3SiNC(C6H5)NCH2CH2CH2NMe2}2]","","- C42 H66 N6 O2 Si2 Ti2 -","- C42 H66 N6 O2 Si2 Ti2 -","- C42 H66 N6 O2 Si2 Ti2 -","1","0.5","","Boyd, Catherine L.; Clot, Eric; Guiducci, Aldo E.; Mountford, Philip","Pendant Arm Functionalized Benzamidinate Titanium Imido Compounds: Experimental and Computational Studies of Their Reactions with CO~2~","Organometallics","2005","24","10","2347","2367","10.1021/om049026f","","","0.71073","MoKα","","","0.0367","","","0.0387","","","","","1.076","1.076","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1100814","10.0185","0.0012","17.18","0.002","23.544","0.003","90","","98.977","0.003","90","","4002.7","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tri-μ-chloro-bis{(η^6^-ethoxybenzene)ruthenium(II)}(1+)tetraphenylborate(1-) 1 acetone solvate","","- C43 H46 B Cl3 O3 Ru2 -","- C43 H46 B Cl3 O3 Ru2 -","- C172 H184 B4 Cl12 O12 Ru8 -","4","1","","Soleimannejad, Janet; White, Colin","A Convenient One-Pot Synthesis of a Functionalized-Arene Ruthenium Half-Sandwich Compound [RuCl~2~(η^6^-C~6~H~5~OCH~2~CH~2~OH)]~2~","Organometallics","","24","10","2538","2541","10.1021/om049044x","","","0.71073","MoKα","","0.076","0.0443","","","0.1062","0.1208","","","","","","0.976","","","","has coordinates,has disorder","180565","2020-10-21","18:00:00",""
"1100815","6.149","0.003","9.548","0.004","9.604","0.005","116.519","0.011","108.648","0.009","91.492","0.008","468.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","di-μ-chloro-bis{chloro(η^6^-2-hydroxyethoxybenzene)ruthenium(II)}","","- C16 H20 Cl4 O4 Ru2 -","- C16 H20 Cl4 O4 Ru2 -","- C16 H20 Cl4 O4 Ru2 -","1","0.5","","Soleimannejad, Janet; White, Colin","A Convenient One-Pot Synthesis of a Functionalized-Arene Ruthenium Half-Sandwich Compound [RuCl~2~(η^6^-C~6~H~5~OCH~2~CH~2~OH)]~2~","Organometallics","","24","10","2538","2541","10.1021/om049044x","","","0.71073","MoKα","","0.1107","0.0727","","","0.1678","0.1857","","","","","","0.95","","","","has coordinates","180565","2020-10-21","18:00:00",""
"1100816","12.611","0.003","12.665","0.002","14.887","0.002","72.302","0.012","70.461","0.013","68.172","0.015","2035.8","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H43 F3 N Ni O P -","- C46 H43 F3 N Ni O P -","- C92 H86 F6 N2 Ni2 O2 P2 -","2","1","","Li, Xiao-Fang; Li, Yang-Guo; Li, Yue-Sheng; Chen, Yan-Xiang; Hu, Ning-Hai","Copolymerization of Ethylene with Methyl Methacrylate with Neutral Nickel(II) Complexes Bearing β-Ketoiminato Chelate Ligands","Organometallics","2005","24","10","2502","2510","10.1021/om049080w","","","0.71073","MoKα","","0.0781","0.0405","","","0.0643","0.0696","","","","","","0.872","","","","has coordinates","187722","2020-10-21","18:00:00",""
"1100817","10.782","0.003","38.013","0.011","10.424","0.003","90","","114.18","0.02","90","","3897.5","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N Ni O P -","- C46 H46 N Ni O P -","- C184 H184 N4 Ni4 O4 P4 -","4","1","","Li, Xiao-Fang; Li, Yang-Guo; Li, Yue-Sheng; Chen, Yan-Xiang; Hu, Ning-Hai","Copolymerization of Ethylene with Methyl Methacrylate with Neutral Nickel(II) Complexes Bearing β-Ketoiminato Chelate Ligands","Organometallics","2005","24","10","2502","2510","10.1021/om049080w","","","0.71073","MoKα","","0.0998","0.0438","","","0.0723","0.079","","","","","","0.915","","","","has coordinates","187722","2020-10-21","18:00:00",""
"1100818","9.299","0.003","21.609","0.006","18.37","0.013","90","","96.7","0.03","90","","3666","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 F3 N Ni O P -","- C41 H41 F3 N Ni O P -","- C164 H164 F12 N4 Ni4 O4 P4 -","4","1","","Li, Xiao-Fang; Li, Yang-Guo; Li, Yue-Sheng; Chen, Yan-Xiang; Hu, Ning-Hai","Copolymerization of Ethylene with Methyl Methacrylate with Neutral Nickel(II) Complexes Bearing β-Ketoiminato Chelate Ligands","Organometallics","2005","24","10","2502","2510","10.1021/om049080w","","","0.71073","MoKα","","0.1164","0.0677","","","0.1763","0.1924","","","","","","1.02","","","","has coordinates","187722","2020-10-21","18:00:00",""
"1100823","10.0582","0.0005","10.9779","0.0006","28.1698","0.0015","90","","90","","90","","3110.5","0.3","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H51 Si2 Y -","- C31 H51 Si2 Y -","- C124 H204 Si8 Y4 -","4","1","","Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.","Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands","Organometallics","2005","24","10","2269","2278","10.1021/om049286x","","","0.71073","MoKα","","0.0681","0.0426","","","0.0861","0.0968","","","","","","1.024","","","","has coordinates","282633","2023-04-14","12:39:59",""
"1100824","11.0875","0.001","19.7843","0.0018","15.6311","0.0014","90","","93.695","0.002","90","","3421.7","0.5","171","2","171","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H116 Al2 Si4 Y2 -","- C64 H116 Al2 Si4 Y2 -","- C128 H232 Al4 Si8 Y4 -","2","0.5","","Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.","Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands","Organometallics","2005","24","10","2269","2278","10.1021/om049286x","","","0.71073","MoKα","","0.1233","0.0531","","","0.1111","0.1381","","","","","","1.021","","","","has coordinates","282633","2023-04-14","12:40:02",""
"1100825","29.2318","0.0015","29.2318","0.0015","10.1105","0.0007","90","","90","","90","","8639.4","0.9","163","2","163","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C23 H35 Si Y -","- C23 H30 Si Y -","- C368 H480 Si16 Y16 -","16","1","","Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.","Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands","Organometallics","2005","24","10","2269","2278","10.1021/om049286x","","","0.71073","MoKα","","0.0485","0.0361","","","0.0896","0.0965","","","","","","1.074","","","","has coordinates","282633","2023-04-14","12:40:04",""
"1100826","22.5779","0.0005","22.5779","0.0005","8.4111","0.0003","90","","90","","90","","4287.7","0.2","163","2","163","2","","","","","","","","3","I -4","I -4","82","","","","- C23 H35 Lu -","- C23 H35 Lu -","- C184 H280 Lu8 -","8","1","","Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.","Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands","Organometallics","2005","24","10","2269","2278","10.1021/om049286x","","","0.71073","MoKα","","0.0237","0.0214","","","0.0492","0.0504","","","","","","1.073","","","","has coordinates","282633","2023-04-14","12:40:07",""
"1100827","8.9218","0.0011","17.632","0.002","13.6181","0.0017","90","","90.066","0.002","90","","2142.3","0.5","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 Y -","- C23 H35 Y -","- C92 H140 Y4 -","4","1","","Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.","Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands","Organometallics","2005","24","10","2269","2278","10.1021/om049286x","","","0.71073","MoKα","","0.0499","0.0304","","","0.0671","0.0732","","","","","","1.056","","","","has coordinates","282633","2023-04-14","12:40:08",""
"1100830","13.1163","0.0002","16.2269","0.0003","14.1022","0.0003","90","","117.693","0.001","90","","2657.65","0.09","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Au Cl2 P -","- C28 H26 Au Cl2 P -","- C112 H104 Au4 Cl8 P4 -","4","1","","Schuster, Oliver; Schmidbaur, Hubert","Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup>","Organometallics","2005","24","10","2289","2296","10.1021/om050038q","","","0.71073","MoKα","","0.0407","0.0371","","","0.0937","0.0961","","","","","","1.124","","","","has coordinates","282633","2023-04-14","12:40:11",""
"1100831","17.2772","0.0001","18.3213","0.0002","18.6586","0.0002","90","","90","","90","","5906.21","0.1","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H46 Au N -","- C32 H46 Au N -","- C256 H368 Au8 N8 -","8","1","","Schuster, Oliver; Schmidbaur, Hubert","Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup>","Organometallics","2005","24","10","2289","2296","10.1021/om050038q","","","0.71073","MoKα","","0.0426","0.04","","","0.1229","0.126","","","","","","1.081","","","","has coordinates","282633","2023-04-14","12:40:14",""
"1100832","8.9747","0.0002","12.4383","0.0003","17.9334","0.0005","78.1633","0.0012","84.1125","0.0013","78.1765","0.0019","1913.93","0.08","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H106 Au2 Cl4 N2 -","- C82 H106 Au2 Cl4 N2 -","- C82 H106 Au2 Cl4 N2 -","1","0.5","","Schuster, Oliver; Schmidbaur, Hubert","Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup>","Organometallics","2005","24","10","2289","2296","10.1021/om050038q","","","0.71073","MoKα","","0.0668","0.04","","","0.0763","0.0848","","","","","","1.111","","","","has coordinates","282633","2023-04-14","12:40:19",""
"1100833","8.9539","0.0005","12.9892","0.0008","15.4944","0.0011","83.782","0.005","79.915","0.005","78.659","0.002","1734.47","0.19","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Au Cl2 P -","- C36 H28 Au Cl2 P -","- C72 H56 Au2 Cl4 P2 -","2","1","","Schuster, Oliver; Schmidbaur, Hubert","Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup>","Organometallics","2005","24","10","2289","2296","10.1021/om050038q","","","0.71073","MoKα","","0.0719","0.0597","","","0.1361","0.1434","","","","","","1.182","","","","has coordinates,has disorder","282633","2023-04-14","12:40:32",""
"1100834","9.2632","0.0001","11.1278","0.0002","12.1561","0.0002","82.9382","0.0006","73.8315","0.0006","78.437","0.0009","1176.05","0.03","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 Au P -","- C27 H24 Au P -","- C54 H48 Au2 P2 -","2","1","","Schuster, Oliver; Schmidbaur, Hubert","Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup>","Organometallics","2005","24","10","2289","2296","10.1021/om050038q","","","0.71073","MoKα","","0.0232","0.0231","","","0.0615","0.0617","","","","","","1.122","","","","has coordinates","282777","2023-04-20","11:56:39",""
"1100840","7.3561","0.0001","14.3852","0.0003","11.9104","0.0002","90","","90.843","0.0012","90","","1260.21","0.04","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H44 Cl2 O P2 Ru -","- C20 H44 Cl2 O P2 Ru -","- C40 H88 Cl4 O2 P4 Ru2 -","2","1","","Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.","Substituents Effects in POP Pincer Complexes of Ruthenium","Organometallics","2005","24","10","2492","2501","10.1021/om050053v","","","0.71073","MoKα","","0.0327","0.0286","","","0.0727","0.0752","","","","","","1.017","","","","has coordinates","282777","2023-04-20","11:56:39",""
"1100841","10.9035","0.0008","14.2678","0.0011","15.581","0.0013","68.844","0.004","89.075","0.005","83.462","0.005","2245","0.3","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C32 H72 Cl3 F6 O2 P5 Ru2 -","- C32 H72 Cl3 F6 O2 P5 Ru2 -","- C64 H144 Cl6 F12 O4 P10 Ru4 -","2","1","","Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.","Substituents Effects in POP Pincer Complexes of Ruthenium","Organometallics","2005","24","10","2492","2501","10.1021/om050053v","","","0.71073","MoKα","","0.186","0.1039","","","0.2273","0.2738","","","","","","1.037","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100842","11.829","0.0003","13.4628","0.0004","15.2504","0.0003","79.474","0.0015","87.028","0.0014","73.807","0.0013","2293.05","0.1","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C45 H66 B Cl3 N2 O P2 Ru -","- C45 H66 B Cl3 N2 O P2 Ru -","- C90 H132 B2 Cl6 N4 O2 P4 Ru2 -","2","1","","Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.","Substituents Effects in POP Pincer Complexes of Ruthenium","Organometallics","2005","24","10","2492","2501","10.1021/om050053v","","","0.71073","MoKα","","0.1021","0.0559","","","0.1234","0.1488","","","","","","1.046","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100843","10.7468","0.0004","16.5738","0.0004","12.9615","0.0005","90","","109.736","0.0014","90","","2173.03","0.13","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H38 Cl2 O P2 Ru -","- C16 H38 Cl2 O P2 Ru -","- C64 H152 Cl8 O4 P8 Ru4 -","4","1","","Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.","Substituents Effects in POP Pincer Complexes of Ruthenium","Organometallics","2005","24","10","2492","2501","10.1021/om050053v","","","0.71073","MoKα","","0.0741","0.0403","","","0.0812","0.0944","","","","","","1.078","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100844","10.7245","0.0002","13.8487","0.0004","15.4083","0.0004","90","","90","","90","","2288.45","0.1","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Cl2 N2 O P2 Ru -","- C16 H36 Cl2 N2 O P2 Ru -","- C64 H144 Cl8 N8 O4 P8 Ru4 -","4","1","","Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.","Substituents Effects in POP Pincer Complexes of Ruthenium","Organometallics","2005","24","10","2492","2501","10.1021/om050053v","","","0.71073","MoKα","","0.0493","0.036","","","0.0751","0.0815","","","","","","1.085","","","","has coordinates,has disorder","282777","2023-04-20","11:56:40",""
"1100845","11.7581","0.0005","12.0235","0.0006","17.3035","0.0008","105.799","0.001","95.97","0.001","98.834","0.001","2298.4","0.18","153","2","153","2","","","","","","","","6","P -1","-P 1","2","[HFe(CH3CN)(PNP)(dmpm)][BPh4]","","","- C44 H68 B Fe N3 P4 -","- C44 H68 B Fe N3 P4 -","- C88 H136 B2 Fe2 N6 P8 -","2","1","","Henry, Renee M.; Shoemaker, Richard K.; Newell, Rachel H.; Jacobsen, George M.; DuBois, Daniel L.; Rakowski DuBois, M.","Stereochemical Control of Iron(II) Complexes Containing a Diphosphine Ligand with a Pendant Nitrogen Base","Organometallics","","24","10","2481","2491","10.1021/om050071c","","","0.71073","MoKα","","0.0658","0.054","","","0.1403","0.1515","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100846","21.873","0.01","13.629","0.006","24.754","0.011","90","","109.824","0.01","90","","6942","6","154","2","154","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Fe(PNP)2(CH3CN)(CO)](BPh4)2","","","- C73 H97 B2 Fe N3 O P4 -","- C73 H97 B2 Fe N3 O P4 -","- C292 H388 B8 Fe4 N12 O4 P16 -","4","1","","Henry, Renee M.; Shoemaker, Richard K.; Newell, Rachel H.; Jacobsen, George M.; DuBois, Daniel L.; Rakowski DuBois, M.","Stereochemical Control of Iron(II) Complexes Containing a Diphosphine Ligand with a Pendant Nitrogen Base","Organometallics","","24","10","2481","2491","10.1021/om050071c","","","0.71073","MoKα","","0.2638","0.1074","","","0.223","0.3062","","","","","","0.896","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100847","33.5236","0.001","33.5236","0.001","8.7943","0.0004","90","","90","","90","","9883.3","0.6","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H38 B4 Cl2 Ru2 -","- C20 H38 B4 Cl2 Ru2 -","- C320 H608 B64 Cl32 Ru32 -","16","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.026","0.0241","","","0.0576","0.0586","","","","","","1.132","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1100848","9.0023","0.0003","9.5781","0.0004","16.027","0.0006","76.678","0.001","79.159","0.001","67.732","0.001","1236.64","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 B4 Cl2 Ru2 -","- C20 H36 B4 Cl2 Ru2 -","- C40 H72 B8 Cl4 Ru4 -","2","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0251","0.0225","","","0.0556","0.057","","","","","","1.042","","","","has coordinates,has disorder","200397","2020-10-21","18:00:00",""
"1100849","10.5503","0.0004","13.9118","0.0005","17.6855","0.0007","90","","105.063","0.001","90","","2506.58","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 B4 Cl3 Ru2 -","- C20 H35 B4 Cl3 Ru2 -","- C80 H140 B16 Cl12 Ru8 -","4","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0256","0.0228","","","0.0575","0.0589","","","","","","1.025","","","","has coordinates","200397","2020-10-21","18:00:00",""
"1100850","22.027","0.003","12.4145","0.0014","23.813","0.003","90","","90","","90","","6511.5","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24.5 H43.84 B5 Cl3 Ru2 S -","- C24.5 H38 B5 Cl3 Ru2 S -","- C196 H304 B40 Cl24 Ru16 S8 -","8","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0372","0.0348","","","0.1026","0.1041","","","","","","1.163","","","","has coordinates","200397","2020-10-21","18:00:00",""
"1100851","8.4861","0.0004","20.9284","0.001","15.954","0.0007","90","","91.414","0.001","90","","2832.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 B5 Cl3 Ru2 S -","- C22 H38 B5 Cl3 Ru2 S -","- C88 H152 B20 Cl12 Ru8 S4 -","4","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0217","0.0203","","","0.0478","0.0484","","","","","","1.081","","","","has coordinates","200397","2020-10-21","18:00:00",""
"1100852","9.066","0.0005","32.7224","0.0017","9.1682","0.0005","90","","111.444","0.001","90","","2531.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 B6 Cl3 Ru2 -","- C20 H33 B6 Cl3 Ru2 -","- C80 H132 B24 Cl12 Ru8 -","4","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.051","0.0436","","","0.1052","0.1086","","","","","","1.122","","","","has coordinates","200397","2020-10-21","18:00:00",""
"1100853","14.5799","0.0009","11.3893","0.0007","17.7889","0.0011","90","","94.371","0.001","90","","2945.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H42 B6 Cl4 Ru2 -","- C21 H42 B6 Cl4 Ru2 -","- C84 H168 B24 Cl16 Ru8 -","4","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0437","0.0323","","","0.0736","0.0786","","","","","","1.027","","","","has coordinates","200397","2020-10-21","18:00:00",""
"1100854","9.705","0.004","13.701","0.004","19.123","0.006","90","","90","","90","","2542.8","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41 B8 Cl Ru2 -","- C20 H39 B8 Cl Ru2 -","- C80 H156 B32 Cl4 Ru8 -","4","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0476","0.0451","","","0.1095","0.1108","","","","","","1.219","","","","has coordinates,has disorder","200397","2020-10-21","18:00:00",""
"1100855","18.032","0.004","10.346","0.002","21.479","0.004","90","","105.5","0.03","90","","3861.2","1.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H40 Cl2 Fe4 N2 O8 -","- C39 H40 Cl2 Fe4 N2 O8 -","- C156 H160 Cl8 Fe16 N8 O32 -","4","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Deprotonation of μ-Vinyliminium Ligands in Diiron Complexes: A Route for the Synthesis of Mono- and Polynuclear Species Containing Novel Multidentate Ligands","Organometallics","2005","24","10","2297","2306","10.1021/om050095j","","","0.71073","MoKα","","0.0584","0.0502","","","0.1353","0.1416","","","","","","1.062","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100856","9.3991","0.0019","19.964","0.004","10.132","0.002","90","","109.83","0.03","90","","1788.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Fe N O2 -","- C20 H21 Fe N O2 -","- C80 H84 Fe4 N4 O8 -","4","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Deprotonation of μ-Vinyliminium Ligands in Diiron Complexes: A Route for the Synthesis of Mono- and Polynuclear Species Containing Novel Multidentate Ligands","Organometallics","2005","24","10","2297","2306","10.1021/om050095j","","","0.71073","MoKα","","0.0892","0.0494","","","0.1252","0.1452","","","","","","0.963","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100857","12.735","0.003","27.48","0.006","10.206","0.002","90","","112.8","0.03","90","","3292.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Fe4 N2 O4 -","- C36 H38 Fe4 N2 O4 -","- C144 H152 Fe16 N8 O16 -","4","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Deprotonation of μ-Vinyliminium Ligands in Diiron Complexes: A Route for the Synthesis of Mono- and Polynuclear Species Containing Novel Multidentate Ligands","Organometallics","2005","24","10","2297","2306","10.1021/om050095j","","","0.71073","MoKα","","0.0956","0.0564","","","0.1226","0.1398","","","","","","1.054","","","","has coordinates,has disorder","282777","2023-04-20","11:56:40",""
"1100858","9.92","0.002","34.927","0.007","14.849","0.003","90","","90","","90","","5144.6","1.8","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C27 H31 Fe2 N O2 Si -","- C27 H31 Fe2 N O2 Si -","- C216 H248 Fe16 N8 O16 Si8 -","8","","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Deprotonation of μ-Vinyliminium Ligands in Diiron Complexes: A Route for the Synthesis of Mono- and Polynuclear Species Containing Novel Multidentate Ligands","Organometallics","2005","24","10","2297","2306","10.1021/om050095j","","","0.71073","MoKα","","0.0692","0.0478","","","0.1113","0.1212","","","","","","1.05","","","","has coordinates,has disorder","282777","2023-04-20","11:56:40",""
"1100859","14.7275","0.0005","28.8178","0.0009","9.7016","0.0003","90","","90","","90","","4117.5","0.2","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H24 Au Cl N2 -","- C21 H24 Au Cl N2 -","- C168 H192 Au8 Cl8 N16 -","8","0.5","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0184","0.0161","","","0.0387","0.0396","","","","","","1.094","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100860","8.4242","0.0003","21.933","0.0009","11.2534","0.0005","90","","91.06","0.001","90","","2078.91","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Au Cl N2 -","- C21 H26 Au Cl N2 -","- C84 H104 Au4 Cl4 N8 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0179","0.0173","","","0.0438","0.0441","","","","","","1.187","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100861","10.9098","0.0005","12.5994","0.0006","19.3635","0.0009","90","","90","","90","","2661.6","0.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H38 Au Cl N2 -","- C27 H38 Au Cl N2 -","- C108 H152 Au4 Cl4 N8 -","4","0.5","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0263","0.0187","","","0.0426","0.0467","","","","","","1.06","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100862","8.084","0.0003","8.084","0.0003","20.631","0.0015","90","","90","","90","","1348.26","0.12","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C11 H20 Au Cl N2 -","- C11 H20 Au Cl N2 -","- C44 H80 Au4 Cl4 N8 -","4","0.5","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0206","0.0201","","","0.0494","0.0497","","","","","","1.155","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100863","10.405","0.002","8.4073","0.0018","11.068","0.002","90","","90","","90","","968.3","0.4","396","2","396","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 Au Cl N2 -","- C7 H12 Au Cl N2 -","- C28 H48 Au4 Cl4 N8 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0698","0.0477","","","0.1035","0.1102","","","","","","1.08","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100864","9.557","0.0005","19.4416","0.001","17.6956","0.0009","90","","103.144","0.001","90","","3201.8","0.3","396","2","396","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Au2 Cl2 N4 -","- C30 H48 Au2 Cl2 N4 -","- C120 H192 Au8 Cl8 N16 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0386","0.0371","","","0.0881","0.0888","","","","","","1.079","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100865","14.5735","0.0007","11.7626","0.0006","12.9098","0.0006","90","","111.449","0.001","90","","2059.76","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 Au Cl N2 -","- C23 H32 Au Cl N2 -","- C92 H128 Au4 Cl4 N8 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0225","0.0207","","","0.0524","0.0535","","","","","","1.096","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100866","7.3539","0.0004","10.8603","0.0005","14.5517","0.0007","91.929","0.001","91.323","0.001","101.547","0.001","1137.48","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Au Cl N3 -","- C11 H11 Au Cl N3 -","- C44 H44 Au4 Cl4 N12 -","4","2","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0218","0.0214","","","0.0634","0.0637","","","","","","1.077","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100867","38.8057","0.0019","10.9768","0.0006","15.7674","0.0008","90","","103.486","0.001","90","","6531.1","0.6","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","RuCl2(H2IMes)(=CH-Ph-CH=N-Ph)","","","- C35 H37 Cl2 N3 Ru -","- C35 H37 Cl2 N3 Ru -","- C280 H296 Cl16 N24 Ru8 -","8","1","","Slugovc, Christian; Burtscher, Daniel; Stelzer, Franz; Mereiter, Kurt","Thermally Switchable Olefin Metathesis Initiators Bearing Chelating Carbenes: Influence of the Chelate's Ring Size","Organometallics","2005","24","10","2255","2258","10.1021/om050141f","","","0.71073","MoKα","","0.0742","0.0498","","","0.1207","0.1342","","","","","","1.046","","","","has coordinates,has disorder","282777","2023-04-20","11:56:41",""
"1100868","27.76","0.04","15.49","0.02","17.149","0.005","90","","92.59","0.04","90","","7366","15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","RuCl2(H2IMes)(=CH-Ph-N=CH-Ph).solv","","","- C35 H37 Cl2 N3 Ru -","- C37.489 H37 Cl2 N3 Ru -","- C299.912 H296 Cl16 N24 Ru8 -","8","1","","Slugovc, Christian; Burtscher, Daniel; Stelzer, Franz; Mereiter, Kurt","Thermally Switchable Olefin Metathesis Initiators Bearing Chelating Carbenes: Influence of the Chelate's Ring Size","Organometallics","2005","24","10","2255","2258","10.1021/om050141f","","","0.71073","MoKα","","0.0996","0.0586","","","0.1214","0.1692","","","","","","1.176","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100869","9.5092","0.0001","17.3418","0.0002","18.1765","0.0002","69.709","0.0005","88.5567","0.0005","89.6242","0.0005","2810.52","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","fac-[(2-methoxycarbonylethynil)tricarbonyl(bis(diphenylphosphanyl)methane) manganese(I)]","","- C64 H50 Mn2 O10 P4 -","- C64 H50 Mn2 O10 P4 -","- C128 H100 Mn4 O20 P8 -","2","1","","Ruiz, J.; Quesada, R.; Vivanco, M.; Castellano, E. E.; Piro, O. E.","Stepwise Formation of σ-Alkynyl, Vinylidene, and Vinylphosphonium Complexes of Manganese(I)","Organometallics","2005","24","10","2542","2545","10.1021/om050146c","","","0.71073","MoKα","","0.0394","0.032","","","0.0939","0.1016","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100870","10.2407","0.0002","16.6566","0.0004","18.3683","0.0004","90","","95.65","0.001","90","","3118","0.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","fac-[tricarbonyl(2-methoxycarbonylvinyliden(diphenylphosphanylmethyl)diphenylphosphorane)maganese(I)] tetrafluoroborate","","- C32 H26 B F4 Mn O5 P2 -","- C32 H26 B F4 Mn O5 P2 -","- C128 H104 B4 F16 Mn4 O20 P8 -","4","1","","Ruiz, J.; Quesada, R.; Vivanco, M.; Castellano, E. E.; Piro, O. E.","Stepwise Formation of σ-Alkynyl, Vinylidene, and Vinylphosphonium Complexes of Manganese(I)","Organometallics","2005","24","10","2542","2545","10.1021/om050146c","","","0.71073","MoKα","","0.0472","0.0373","","","0.0945","0.101","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100871","42.11","0.005","10.6323","0.0009","20.577","0.002","90","","117.67","0.006","90","","8159.4","1.4","163","","163","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H51 F12 N O2 P2 W -","- C35 H51 F12 N O2 P2 W -","- C280 H408 F96 N8 O16 P16 W8 -","8","1","","Jamison, Gregory M.; Wheeler, David R.; Loy, Douglas A.; Ziller, Joseph W.","Double Phosphaalkyne Insertion to a Tungsten Alkylidene: Formation of a Diphosphametallabicyclobutane","Organometallics","2005","24","10","2245","2247","10.1021/om050150o","","","0.71073","MoKα","","0.0467","0.0317","","0.0714","0.065","","","","1.06","1.085","1.085","","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100872","14.6994","0.0004","17.0733","0.0005","18.7037","0.0006","113.789","0.001","93.112","0.001","95.302","0.001","4255.2","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H134 N10 Sm2 -","- C92 H134 N10 Sm2 -","- C184 H268 N20 Sm4 -","2","1","","Wang, Jun; Amos, Ruth I. J.; Frey, Alistair S. P.; Gardiner, Michael G.; Cole, Marcus L.; Junk, Peter C.","Reversible Sm(III)/Sm(II) Redox Chemistry of an Organosamarium(III) Complex","Organometallics","2005","24","10","2259","2261","10.1021/om050172a","","","0.71073","MoKα","","0.0821","0.0436","","","0.0935","0.1075","","","","","","1.015","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100873","12.6218","0.0005","13.3776","0.0005","14.3654","0.0005","92.678","0.001","91.051","0.001","109.958","0.001","2275.91","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 O13 P Pt Ru5 -","- C38 H42 O13 P Pt Ru5 -","- C76 H84 O26 P2 Pt2 Ru10 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Platinum Participation in the Hydrogenation of Phenylacetylene by Ru~5~(CO)~15~(C)[Pt(PBut~3~)]","Journal of the American Chemical Society","2004","126","10","3042","3043","10.1021/ja049955y","","","0.71073","MoKα","","0.0578","0.0454","","","0.1139","0.1227","","","","","","1.037","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100874","39.057","0.0013","18.0757","0.0006","22.9961","0.0007","90","","126.005","0.001","90","","13133.4","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H74 O13 P2 Pt2 Ru5 -","- C52 H74 O13 P2 Pt2 Ru5 -","- C416 H592 O104 P16 Pt16 Ru40 -","8","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","New High Nuclearity Platinum‒Ruthenium Carbonyl Cluster Complexes Containing a Phenylacetylene Ligand: Structures and Properties","Organometallics","2005","24","10","2419","2423","10.1021/om050175n","","","0.71073","MoKα","","0.0731","0.0509","","","0.1155","0.124","","","","","","1.095","","","","has coordinates","180566","2020-10-21","18:00:00",""
"1100875","14.7755","0.0008","16.3794","0.0009","17.372","0.001","80.34","0.001","66.324","0.001","71.645","0.001","3650.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H90 O13 P3 Pt3 Ru5 -","- C61 H90 O13 P3 Pt3 Ru5 -","- C122 H180 O26 P6 Pt6 Ru10 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","New High Nuclearity Platinum‒Ruthenium Carbonyl Cluster Complexes Containing a Phenylacetylene Ligand: Structures and Properties","Organometallics","2005","24","10","2419","2423","10.1021/om050175n","","","0.71073","MoKα","","0.0673","0.0485","","","0.1275","0.1401","","","","","","1.019","","","","has coordinates","180566","2020-10-21","18:00:00",""
"1100878","14.12","0.004","24.452","0.007","11.08","0.003","90","","90.92","0.02","90","","3825","2","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H33 O8 Ru3 -","- C43 H26 O8 Ru3 -","- C172 H104 O32 Ru12 -","4","0.5","","Osintseva, Svetlana V.; Dolgushin, Fedor M.; Shtel'tser, Nikolay A.; Petrovskii, Pavel V.; Kreindlin, Arkadii Z.; Rybin, Leonid V.; Antipin, Mikhail Yu.","Reaction of Ru <sub>3</sub> (CO) <sub>12</sub> with Dibenzylideneacetone","Organometallics","2005","24","10","2279","2288","10.1021/om0489958","","","0.71073","MoKα","","0.0721","0.0367","","","0.0788","0.0827","","","","","","0.917","","","","has coordinates","282777","2023-04-20","11:56:41",""
"1100879","10.6747","0.0013","12.9415","0.0016","23.694","0.003","88.432","0.003","83.478","0.003","73.94","0.004","3125.1","0.7","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H56 O11 Ru3 -","- C75 H56 O11 Ru3 -","- C150 H112 O22 Ru6 -","2","1","","Osintseva, Svetlana V.; Dolgushin, Fedor M.; Shtel'tser, Nikolay A.; Petrovskii, Pavel V.; Kreindlin, Arkadii Z.; Rybin, Leonid V.; Antipin, Mikhail Yu.","Reaction of Ru <sub>3</sub> (CO) <sub>12</sub> with Dibenzylideneacetone","Organometallics","2005","24","10","2279","2288","10.1021/om0489958","","","0.71073","MoKα","","0.1234","0.0597","","","0.1071","0.1187","","","","","","0.946","","","","has coordinates","282777","2023-04-20","11:56:42",""
"1100880","10.4959","0.0017","12.347","0.002","12.762","0.002","75.86","0.003","83.084","0.003","76.385","0.003","1555.2","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H56 O12 Ru4 -","- C76 H56 O12 Ru4 -","- C76 H56 O12 Ru4 -","1","0.5","","Osintseva, Svetlana V.; Dolgushin, Fedor M.; Shtel'tser, Nikolay A.; Petrovskii, Pavel V.; Kreindlin, Arkadii Z.; Rybin, Leonid V.; Antipin, Mikhail Yu.","Reaction of Ru <sub>3</sub> (CO) <sub>12</sub> with Dibenzylideneacetone","Organometallics","2005","24","10","2279","2288","10.1021/om0489958","","","0.71073","MoKα","","0.0777","0.0437","","","0.1042","0.1227","","","","","","0.986","","","","has coordinates","282777","2023-04-20","11:56:42",""
"1100881","11.2554","0.0012","14.1456","0.0015","14.174","0.0015","65.566","0.002","80.367","0.002","70.567","0.002","1936.4","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H40 O8 Ru2 -","- C44 H40 O8 Ru2 -","- C88 H80 O16 Ru4 -","2","1","","Osintseva, Svetlana V.; Dolgushin, Fedor M.; Shtel'tser, Nikolay A.; Petrovskii, Pavel V.; Kreindlin, Arkadii Z.; Rybin, Leonid V.; Antipin, Mikhail Yu.","Reaction of Ru <sub>3</sub> (CO) <sub>12</sub> with Dibenzylideneacetone","Organometallics","2005","24","10","2279","2288","10.1021/om0489958","","","0.71073","MoKα","","0.0729","0.0514","","","0.1139","0.1225","","","","","","1.045","","","","has coordinates","282777","2023-04-20","11:56:42",""
"1100887","7.265","0.003","11.059","0.004","22.303","0.008","90","","91.824","0.005","90","","1791.2","1","168","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Fe -","- C26 H18 Fe -","- C104 H72 Fe4 -","4","1","","Cuffe, Laurence; Hudson, Richard D. A.; Gallagher, John F.; Jennings, Sarah; McAdam, C. John; Connelly, Rosamond B. T.; Manning, Anthony R.; Robinson, Brian. H.; Simpson, Jim","Synthesis, Structure, and Redox Chemistry of Ethenyl and Ethynyl Ferrocene Polyaromatic Dyads","Organometallics","2005","24","9","2051","2060","10.1021/om0492653","","","","","","0.0608","0.0423","","","0.101","0.1075","","","","","","0.919","","","","has coordinates","209832","2020-10-21","18:00:00",""
"1100888","7.81","0.005","9.956","0.006","13.205","0.008","107.54","0.006","101.733","0.007","100.521","0.006","925.4","1","163","2","163","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H18 Fe -","- C28 H18 Fe -","- C56 H36 Fe2 -","2","1","","Cuffe, Laurence; Hudson, Richard D. A.; Gallagher, John F.; Jennings, Sarah; McAdam, C. John; Connelly, Rosamond B. T.; Manning, Anthony R.; Robinson, Brian. H.; Simpson, Jim","Synthesis, Structure, and Redox Chemistry of Ethenyl and Ethynyl Ferrocene Polyaromatic Dyads","Organometallics","2005","24","9","2051","2060","10.1021/om0492653","","","0.71073","MoKα","","0.0515","0.0374","","","0.0894","0.093","","","","","","0.966","","","","has coordinates","209832","2020-10-21","18:00:00",""
"1100889","11.421","0.001","10.868","0.001","17.2066","0.0016","90","","99.609","0.001","90","","2105.8","0.3","158","2","158","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Fe -","- C32 H20 Fe -","- C128 H80 Fe4 -","4","1","","Cuffe, Laurence; Hudson, Richard D. A.; Gallagher, John F.; Jennings, Sarah; McAdam, C. John; Connelly, Rosamond B. T.; Manning, Anthony R.; Robinson, Brian. H.; Simpson, Jim","Synthesis, Structure, and Redox Chemistry of Ethenyl and Ethynyl Ferrocene Polyaromatic Dyads","Organometallics","2005","24","9","2051","2060","10.1021/om0492653","","","0.71073","MoKα","","0.0891","0.0754","","","0.2192","0.2279","","","","","","1.066","","","","has coordinates","209832","2020-10-21","18:00:00",""
"1100890","7.7278","0.0004","10.5188","0.0009","12.0885","0.0008","101.449","0.005","100.901","0.004","95.453","0.005","936.69","0.11","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 Fe -","- C26 H20 Fe -","- C52 H40 Fe2 -","2","1","","Cuffe, Laurence; Hudson, Richard D. A.; Gallagher, John F.; Jennings, Sarah; McAdam, C. John; Connelly, Rosamond B. T.; Manning, Anthony R.; Robinson, Brian. H.; Simpson, Jim","Synthesis, Structure, and Redox Chemistry of Ethenyl and Ethynyl Ferrocene Polyaromatic Dyads","Organometallics","2005","24","9","2051","2060","10.1021/om0492653","","","0.71073","MoKα","","0.0436","0.0345","","","0.0905","0.1033","","","","","","0.613","","","","has coordinates,has disorder","209832","2020-10-21","18:00:00",""
"1100891","19.12","0.03","7.379","0.009","14.89","0.03","90","","110.62","0.03","90","","1966","5","168","2","168","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-1-ferrocenyl-2-(1-pyrenyl) ethene","","- C28 H20 Fe -","- C28 H20 Fe -","- C112 H80 Fe4 -","4","1","","Cuffe, Laurence; Hudson, Richard D. A.; Gallagher, John F.; Jennings, Sarah; McAdam, C. John; Connelly, Rosamond B. T.; Manning, Anthony R.; Robinson, Brian. H.; Simpson, Jim","Synthesis, Structure, and Redox Chemistry of Ethenyl and Ethynyl Ferrocene Polyaromatic Dyads","Organometallics","2005","24","9","2051","2060","10.1021/om0492653","","","0.71073","MoKα","","0.102","0.0363","","","0.0594","0.0696","","","","","","0.829","","","","has coordinates","209832","2020-10-21","18:00:00",""
"1100892","6.0387","0.0001","32.3369","0.0005","15.9373","0.0002","90","","103.062","0.0006","90","","3031.6","0.08","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H8 F20 O0.18 P2 -","- C32 H8 F20 O0.18 P2 -","- C128 H32 F80 O0.72 P8 -","4","1","","Chase, Preston A.; Gagliardo, Marcella; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Electron-Poor Pentafluorophenyl-Substituted PCP–Palladium Pincer Complexes","Organometallics","2005","24","9","2016","2019","10.1021/om0500063","","","0.71073","MoKα","","0.0615","0.0381","","","0.0929","0.1046","","","","","","1.072","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100893","10.1565","0.0002","25.6619","0.0005","16.1795","0.0003","90","","110.544","0.0008","90","","3948.77","0.13","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H10 B F24 N P2 Pd -","- C34 H10 B F24 N P2 Pd -","- C136 H40 B4 F96 N4 P8 Pd4 -","4","1","","Chase, Preston A.; Gagliardo, Marcella; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Electron-Poor Pentafluorophenyl-Substituted PCP‒Palladium Pincer Complexes","Organometallics","2005","24","9","2016","2019","10.1021/om0500063","","","0.71073","MoKα","","0.0577","0.0407","","","0.0931","0.1001","","","","","","1.04","","","","has coordinates,has disorder","210323","2020-10-21","18:00:00",""
"1100894","15.4853","0.0001","13.6515","0.0001","26.0274","0.0002","90","","122.559","0.0003","90","","4637.39","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46.7 H23.8 Cl F20 P2 Pd -","- C46.7 H23.8 Cl F20 P2 Pd -","- C186.8 H95.2 Cl4 F80 P8 Pd4 -","4","1","","Chase, Preston A.; Gagliardo, Marcella; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Electron-Poor Pentafluorophenyl-Substituted PCP‒Palladium Pincer Complexes","Organometallics","2005","24","9","2016","2019","10.1021/om0500063","","","0.71073","MoKα","","0.0542","0.043","","","0.1286","0.1381","","","","","","1.06","","","","has coordinates,has disorder","210323","2020-10-21","18:00:00",""
"1100895","16.8425","0.0003","21.51","0.0004","36.4135","0.0007","90","","100.741","0.0006","90","","12960.8","","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Nb(NtBu){MeC(2-C5H4N)(CH2NSiMe3)(CH2NC(OSiMe3)NtBu)}Cl]","","- C24 H47 Cl N5 Nb O Si2 -","- C24 H47 Cl N5 Nb O Si2 -","- C384 H752 Cl16 N80 Nb16 O16 Si32 -","16","4","","Ward, Benjamin D.; Orde, Gavin; Clot, Eric; Cowley, Andrew R.; Gade, Lutz H.; Mountford, Philip","Reactions of Neutral and Cationic Diamide-Supported Imido Complexes with CO <sub>2</sub> and Other Heterocumulenes: Issues of Site Selectivity","Organometallics","2005","24","10","2368","2385","10.1021/om0500265","","","0.71073","MoKα","","","0.0433","","","","0.0501","","","","","","1.0441","","","","has coordinates","282777","2023-04-20","11:56:42",""
"1100899","11.4596","0.0005","12.0029","0.0005","16.3524","0.0007","78.569","0.001","89.576","0.001","75.536","0.001","2132.65","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H69 Ge N2 P2 Si4 -","- C35 H68 Ge N2 P2 Si4 -","- C70 H136 Ge2 N4 P4 Si8 -","2","1","","Izod, Keith; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W.","An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study","Organometallics","2005","24","9","2157","2167","10.1021/om0501125","","","0.71073","MoKα","","0.0299","0.0268","","","0.0755","0.0776","","","","","","1.036","","","","has coordinates","210321","2020-10-21","18:00:00",""
"1100900","48.748","0.003","11.2312","0.0006","11.141","0.0006","90","","90","","90","","6099.7","0.6","160","2","160","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C44 H92 Ge I2 Li2 N2 O3 P2 Si4 -","- C44 H92 Ge I2 Li2 N2 O3 P2 Si4 -","- C176 H368 Ge4 I8 Li8 N8 O12 P8 Si16 -","4","1","","Izod, Keith; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W.","An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study","Organometallics","2005","24","9","2157","2167","10.1021/om0501125","","","0.71073","MoKα","","0.0581","0.0476","","","0.0965","0.0998","","","","","","1.106","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1100901","23.4873","0.0005","23.4873","0.0005","23.4873","0.0005","90","","90","","90","","12956.8","0.5","150","2","150","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C48 H93 Ge K N3 P3 Si6 -","- C48 H93 Ge K N3 P3 Si6 -","- C384 H744 Ge8 K8 N24 P24 Si48 -","8","0.333333","","Izod, Keith; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W.","An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study","Organometallics","2005","24","9","2157","2167","10.1021/om0501125","","","0.71073","MoKα","","0.0548","0.0402","","","0.1185","0.1358","","","","","","1.167","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100902","9.814","0.004","9.861","0.004","11.505","0.005","101.19","0.03","111.44","0.04","101.37","0.03","971.9","0.7","243.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H27 Cl2 N2 V -","- C17 H27 Cl2 N2 V -","- C34 H54 Cl4 N4 V2 -","2","1","","Yamada, Junji; Fujiki, Michiya; Nomura, Kotohiro","A Vanadium(V) Alkylidene Complex Exhibiting Remarkable Catalytic Activity for Ring-Opening Metathesis Polymerization (ROMP)","Organometallics","2005","24","10","2248","2250","10.1021/om0501834","","","0.7107","MoKα","","","0.036","","","","0.045","","","","","","1.056","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100903","9.838","0.001","12.565","0.002","20.509","0.003","90","","95.857","0.004","90","","2521.9","0.6","243.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Cl2 N2 P V -","- C20 H36 Cl2 N2 P V -","- C80 H144 Cl8 N8 P4 V4 -","4","1","","Yamada, Junji; Fujiki, Michiya; Nomura, Kotohiro","A Vanadium(V) Alkylidene Complex Exhibiting Remarkable Catalytic Activity for Ring-Opening Metathesis Polymerization (ROMP)","Organometallics","2005","24","10","2248","2250","10.1021/om0501834","","","0.7107","MoKα","","","0.057","","","","0.068","","","","","","1.064","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100904","29.52","0.003","10.9241","0.0005","18.578","0.001","90","","109.683","0.003","90","","5641","0.7","243.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H43 Cl2 N2 P2 V -","- C23 H43 Cl2 N2 P2 V -","- C184 H344 Cl16 N16 P16 V8 -","8","1","","Yamada, Junji; Fujiki, Michiya; Nomura, Kotohiro","A Vanadium(V) Alkylidene Complex Exhibiting Remarkable Catalytic Activity for Ring-Opening Metathesis Polymerization (ROMP)","Organometallics","2005","24","10","2248","2250","10.1021/om0501834","","","0.7107","MoKα","","","0.043","","","","0.048","","","","","","1.094","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100905","10.554","0.002","10.944","0.002","13.145","0.003","98.745","0.008","92.067","0.009","98.33","0.01","1482.2","0.5","243.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H46 N2 P Si V -","- C24 H46 N2 P Si V -","- C48 H92 N4 P2 Si2 V2 -","2","1","","Yamada, Junji; Fujiki, Michiya; Nomura, Kotohiro","A Vanadium(V) Alkylidene Complex Exhibiting Remarkable Catalytic Activity for Ring-Opening Metathesis Polymerization (ROMP)","Organometallics","2005","24","10","2248","2250","10.1021/om0501834","","","0.7107","MoKα","","","0.054","","","","0.067","","","","","","1.02","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100907","10.7589","0.0009","17.8696","0.0017","22.667","0.0018","90","","90","","90","","4357.9","0.7","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic acidd","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C204 H180 N12 O48 -","12","3","","Brady, Fiona; Gallagher, John F.","Intermolecular O-H...O hydrogen bonding in the three independent molecules of (2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic acid","Acta Crystallographica, Section C","2000","56","","1407","1410","10.1107/S010827010001163X","","","0.7107","MoKα","","0.086","0.045","","","","0.116","","","","","","1.02","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100908","15.922","0.002","5.7331","0.0008","21.341","0.003","90","","91.097","0.011","90","","1947.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aqua-bis(trans-2-butenoate)- bis(pyridine)copper(II)","","- C18 H22 Cu N2 O5 -","- C18 H22 Cu N2 O5 -","- C72 H88 Cu4 N8 O20 -","4","0.5","","Baggio, Ricardo; Foxman, Bruce; Garland, Maria Teresa; Perec, Mireille; Shang, Wen","Aquabis(crotonato)bis(pyridine)copper(II)","Acta Crystallographica Section C","2000","56","11","e505","e506","10.1107/S0108270100013937","","","0.71073","MoKα","","0.041","0.031","","","","0.082","","","","","","1.068","","","","has coordinates,has Fobs","301773","2025-08-18","12:42:42",""
"1100910","7.496","0.001","6.308","0.001","10.125","0.002","90","","100.11","0.01","90","","471.32","0.13","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Bismuth(V)iron(III) oxophosphate","Bismuth(V) iron(III) tris(phosphate) oxide","","- Bi0.4 Fe3 O13 P3 -","- Bi0.4 Fe3 O13 P3 -","- Bi0.8 Fe6 O26 P6 -","2","0.5","","Benabad, Aicha; Bakhous, Karima; Cherkaoui, Fatima; Holt, Elizabeth M.","Bismuth(V) iron(III) tris(phosphate) oxide","Acta Crystallographica, Section C","2000","56","","1292","1293","10.1107/S010827010000977X","","","0.71073","MoKα","","0.099","0.058","","","","0.128","","","","","","0.835","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100911","6.207","0.003","11.915","0.005","15.583","0.006","90","","90","","90","","1152.5","0.9","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","Sodium nitroprusside, deuterated","disodium pentacyanonitrosylferrate(III) bis(dideuterium oxide)","","- C5 D4 Fe N6 Na2 O3 -","- C5 D4 Fe N6 Na2 O3 -","- C20 D16 Fe4 N24 Na8 O12 -","4","0.5","","Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N.","Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction","Acta Crystallographica, Section C","2000","56","","1289","1291","10.1107/S0108270100008763","","","0.71073","MoKα","","0.02","0.019","","","","0.051","","","","","","1.227","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1100912","6.124","0.002","11.837","0.005","15.547","0.006","90","","90","","90","","1127","0.7","11","1","11","2","","","","","","","","6","P n n m","-P 2 2n","58","Sodium nitroprusside, deuterated","disodium pentacyanonitrosylferrate(III) bis(dideuterium oxide)","","- C5 D4 Fe N6 Na2 O3 -","- C5 D4 Fe N6 Na2 O3 -","- C20 D16 Fe4 N24 Na8 O12 -","4","0.5","","Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N.","Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction","Acta Crystallographica, Section C","2000","56","","1289","1291","10.1107/S0108270100008763","","","0.71073","MoKα","","0.025","0.02","","","","0.054","","","","","","1.081","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1100913","6.124","0.002","11.837","0.005","15.547","0.006","90","","90","","90","","1127","0.7","11","","15","","","","","","","","","7","P n n m","-P 2 2n","58","Sodium nitroprusside, deuterated","disodium pentacyanonitrosylferrate(III) bis(dideuterium oxide)","","- C5 H1.1 D2.9 Fe N6 Na2 O3 -","- C5 H1.102 D2.898 Fe N6 Na2 O3 -","- C20 H4.408 D11.592 Fe4 N24 Na8 O12 -","4","0.5","","Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N.","Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction","Acta Crystallographica, Section C","2000","56","","1289","1291","10.1107/S0108270100008763","","neutron","","pulsedneutron","","","0.058","","","0.051","","","","3.75","","","","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100915","11.891","0.006","11.954","0.005","9.387","0.006","90","0","90","0","90","0","1334","1","","","","","","","","","","","","3","P 21 c n","","","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Mario Nardelli","","","","","","","","","","","0.71069","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100916","5.5462","0.0003","5.6028","0.0004","15.6365","0.0013","90","","90","","90","","485.9","0.06","292","1","","","","","","","","","","3","P b c m","-P 2c 2b","57","","silver niobate","","- Ag Nb O3 -","- Ag Nb O3 -","- Ag8 Nb8 O24 -","8","1","","Fabry, Jan; Zikmund, Zdenek; Kania, Antoni; Petricek, Vaclav","Structural study of AgNbO~3~ at room temperature","Acta Crystallographica, Section C","2000","56","","916","918","10.1107/S0108270100006806","","","0.71073","MoKα","","","0.034","","","","0.053","","","2.69","","","2.84","","","","has coordinates","134621","2020-10-21","18:00:00",""
"1100918","8.638","","13.833","","9.537","","90","","99.06","","90","","1125.35","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N6 O4 -","- C19 H25 Co N6 O4 -","- C38 H50 Co2 N12 O8 -","2","1","","Yuji Ohashi; Kazunori Yanagi; Toshiharu Kurihara; Yoshio Sasada; Yoshiaki Ohgo","Crystalline state reaction of cobaloxime complexes by x-ray exposure. 1. Direct observation of cobalt-carbon bond cleavage in [(R)-1-cyanoethyl][(S)-(-)-.alpha.-methylbenzylamine] bis(dimethylglyoximato)cobalt(III)","Journal of the American Chemical Society","1981","103","","5805","5812","10.1021/ja00409a031","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100920","27.543","0.008","13.226","0.006","31.171","0.013","90","","104.81","0.03","90","","10977.9","7.5","293","2","213","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H42.5 Cu1.5 N4 O9 -","- C64 H42.5 Cu1.5 N4 O9 -","- C512 H340 Cu12 N32 O72 -","8","1","","","","","","","","","","","","","0.71073","MoKα","","0.1743","0.0973","","0.2917","0.2448","","","","1.268","1.49","1.49","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1100923","8.586","0.008","15.286","0.011","15.606","0.008","94.57","0.04","92.31","0.04","100.58","0.04","2004","3","295","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 N2 S Se2 -","- C22 H16 N2 S Se2 -","- C88 H64 N8 S4 Se8 -","4","2","","","","","","","","","","","","","0.71067","MoKα","","","","","","","","","","","","","","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100935","11.634","0.002","13.223","0.003","13.291","0.003","99.27","0.03","92.21","0.03","99.95","0.03","1982.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H46 Na8 O38 Ti -","- C18 H36 Na8 O38 Ti -","- C36 H72 Na16 O76 Ti2 -","2","1","","Joseph M. Collins; Ritika Uppal; Christopher D. Incarvito; Ann M. Valentine","Titanium(IV) Citrate Speciation and Structure under Environmentally and Biologically Relevant Conditions","Inorganic Chemistry","2005","44","","3431","3440","10.1021/ic048158y","","","0.71073","MoKα","","0.0737","0.0575","","","0.1748","0.1858","","","","","","1.342","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100936","7.285","0.003","10.067","0.004","8.103","0.002","90","","112.21","0.02","90","","550.2","0.3","293","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H16 N P Si -","- C7 H16 N P Si -","- C14 H32 N2 P2 Si2 -","2","0.5","","Becker, Gerd; Brombach, Heike; Horner, Stephen T.; Niecke, Edgar; Schwarz, Wolfgang; Streubel, Rainer; Würthwein, Ernst-Ulrich","Synthesis and Structure of K^+^[^i^PrN=C=P]^-^, a 1-Aza-3λ^3^-phospha-3-allenide","Inorganic Chemistry","2005","44","9","3080","3086","10.1021/ic048162+","","","0.71073","MoKα","","0.0327","0.0296","","","0.0858","0.0889","","","","","","1.08","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100937","14.3655","0.0019","8.8715","0.0012","8.4647","0.0016","90","","90","","90","","1078.8","0.3","173","2","173","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C16 H31 K N O6 P -","- C16 H31 K N O6 P -","- C32 H62 K2 N2 O12 P2 -","2","0.5","","Becker, Gerd; Brombach, Heike; Horner, Stephen T.; Niecke, Edgar; Schwarz, Wolfgang; Streubel, Rainer; Würthwein, Ernst-Ulrich","Synthesis and Structure of K^+^[^i^PrN=C=P]^-^, a 1-Aza-3λ^3^-phospha-3-allenide","Inorganic Chemistry","2005","44","9","3080","3086","10.1021/ic048162+","","","0.71073","MoKα","","0.0533","0.0369","","","0.0904","0.0994","","","","","","0.984","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100938","39.07","0.03","9.625","0.008","19.353","0.016","90","","111.644","0.013","90","","6765","9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H25 Cl2 N8 O13 Ru -","- C30 H25 Cl2 N8 O13 Ru -","- C240 H200 Cl16 N64 O104 Ru8 -","8","1","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.71073","MoKα","","0.1679","0.0744","","","0.1456","0.1846","","","","","","0.992","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100939","14.398","0.0008","12.162","0.0009","15.477","0.0014","90","","92.644","0.006","90","","2707.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cl2 N6 O4 Ru -","- C28 H22 Cl2 N6 O4 Ru -","- C112 H88 Cl8 N24 O16 Ru4 -","4","1","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.7093","MoKα","","0.041","0.0339","","","0.086","0.0934","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100940","13.702","0.0008","13.805","0.0011","15.196","0.0012","90","0.006","101.52","0.006","90","0.006","2816.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28 H22 Cl N7 O6 Ru -","- C28 H22 Cl N7 O6 Ru -","- C112 H88 Cl4 N28 O24 Ru4 -","4","1","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.7093","MoKα","","0.0428","0.033","","","0.0757","0.0817","","","","","","1.065","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100941","9.2829","0.0014","10.4319","0.0015","18.729","0.003","104.955","0.002","92.655","0.002","95.718","0.002","1738.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cl3 N7 O15 Ru -","- C28 H26 Cl3 N7 O15 Ru -","- C56 H52 Cl6 N14 O30 Ru2 -","2","1","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.71073","MoKα","","0.0771","0.0544","","","0.1317","0.1428","","","","","","1.063","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100942","21.1704","0.0018","30.04","0.003","14.8373","0.0013","90","","133.379","0.001","90","","6858.3","1.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28.5 H21.25 Cl3 N6.75 O14 Ru -","- C28.5 H21.25 Cl3 N6.75 O14 Ru -","- C228 H170 Cl24 N54 O112 Ru8 -","8","2","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.71073","MoKα","","0.0475","0.0423","","","0.1127","0.117","","","","","","1.045","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100943","11.191","0.0011","14.194","0.001","33.151","0.001","90","0.004","90","0.006","90","0.007","5265.9","0.7","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C27 H19 Cl2 N5 O5 Ru -","- C27 H19 Cl2 N5 O5 Ru -","- C216 H152 Cl16 N40 O40 Ru8 -","8","1","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.7093","MoKα","","0.0475","0.0347","","","0.0814","0.0896","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100944","11.196","0.0009","14.428","0.001","34.039","0.006","90","0.011","90","0.01","90","0.006","5498.5","1.1","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C27 H20 Cl N6 O7.5 Ru -","- C27 H20 Cl N6 O7.5 Ru -","- C216 H160 Cl8 N48 O60 Ru8 -","8","1","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.7093","","","0.0495","0.0357","","","0.0848","0.0918","","","","","","1.063","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100945","13.6062","0.0016","15.2525","0.0018","15.6016","0.0019","113.505","0.002","93.348","0.002","105.418","0.002","2812.3","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27.25 H20 Cl2 N5 O4.25 Ru S -","- C27.25 H20 Cl2 N5 O4.25 Ru S -","- C109 H80 Cl8 N20 O17 Ru4 S4 -","4","2","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.71073","MoKα","","0.1044","0.0715","","","0.1933","0.2138","","","","","","1.051","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100946","8.697","0.006","13.905","0.006","21.176","0.008","90","","90","","90","","2561","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Ce Cu N5 O13 -","- C20 H22 Ce Cu N5 O13 -","- C80 H88 Ce4 Cu4 N20 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0568","0.0347","","","0.0731","0.0889","","","","","","1.108","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100947","8.619","0.005","13.8698","0.001","21.1269","0.0015","90","","90","","90","","2525.6","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu N5 O13 Pr -","- C20 H22 Cu N5 O13 Pr -","- C80 H88 Cu4 N20 O52 Pr4 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0331","0.0273","","","0.0718","0.0837","","","","","","1.182","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100948","8.601","0.003","13.786","0.002","21.1483","0.0016","90","","90","","90","","2507.6","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu Eu N5 O13 -","- C20 H22 Cu Eu N5 O13 -","- C80 H88 Cu4 Eu4 N20 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.037","0.0302","","","0.0775","0.0817","","","","","","1.089","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100949","8.611","0.003","13.814","0.005","21.244","0.006","90","","90","","90","","2527","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu N5 O13 Tb -","- C20 H22 Cu N5 O13 Tb -","- C80 H88 Cu4 N20 O52 Tb4 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0393","0.0289","","","0.067","0.0809","","","","","","1.159","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100950","8.587","0.0003","13.758","0.0005","21.1665","0.0007","90","","90","","90","","2500.61","0.15","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu Dy N5 O13 -","- C20 H22 Cu Dy N5 O13 -","- C80 H88 Cu4 Dy4 N20 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0264","0.0205","","","0.0441","0.0452","","","","","","1.025","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100951","8.583","0.003","13.749","0.003","21.191","0.003","90","","90","","90","","2500.7","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu Ho N5 O13 -","- C20 H22 Cu Ho N5 O13 -","- C80 H88 Cu4 Ho4 N20 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0723","0.0456","","","0.1003","0.1152","","","","","","1.079","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100952","8.566","0.003","13.735","0.003","21.1786","0.0019","90","","90","","90","","2491.7","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu N5 O13 Tm -","- C20 H22 Cu N5 O13 Tm -","- C80 H88 Cu4 N20 O52 Tm4 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0468","0.0306","","","0.07","0.0803","","","","","","1.106","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100953","8.576","0.003","13.705","0.003","21.114","0.003","90","","90","","90","","2481.6","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu N5 O13 Yb -","- C20 H22 Cu N5 O13 Yb -","- C80 H88 Cu4 N20 O52 Yb4 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0518","0.0447","","","0.1137","0.1332","","","","","","1.159","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100954","8.6323","0.0012","13.822","0.002","21.176","0.003","90","","90","","90","","2526.6","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Ce N5 Ni O13 -","- C20 H22 Ce N5 Ni O13 -","- C80 H88 Ce4 N20 Ni4 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0292","0.025","","","0.0659","0.0707","","","","","","1.156","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100955","8.6215","0.0015","13.776","0.004","21.179","0.003","90","","90","","90","","2515.4","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N5 Nd Ni O13 -","- C20 H22 N5 Nd Ni O13 -","- C80 H88 N20 Nd4 Ni4 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0389","0.029","","","0.0689","0.0762","","","","","","1.091","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100956","8.617","0.004","21.215","0.003","13.754","0.003","90","","90","","90","","2514.4","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Eu N5 Ni O13 -","- C20 H22 Eu N5 Ni O13 -","- C80 H88 Eu4 N20 Ni4 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0327","0.0277","","","0.0744","0.0796","","","","","","1.139","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100957","8.607","0.003","21.24","0.004","13.742","0.003","90","","90","","90","","2512.2","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N5 Ni O13 Tb -","- C20 H22 N5 Ni O13 Tb -","- C80 H88 N20 Ni4 O52 Tb4 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0316","0.0265","","","0.0659","0.0698","","","","","","1.059","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100958","8.601","0.004","13.71","0.004","21.252","0.005","90","","90","","90","","2506","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Er N5 Ni O13 -","- C20 H22 Er N5 Ni O13 -","- C80 H88 Er4 N20 Ni4 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0331","0.0253","","","0.0607","0.0705","","","","","","1.134","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100959","9.4702","0.0005","13.8619","0.0008","18.8839","0.0011","90","","97.916","0.001","90","","2455.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Fe P2 -","- C24 H40 Fe P2 -","- C96 H160 Fe4 P8 -","4","1","","Eric J. Hawrelak; Wesley H. Bernskoetter; Emil Lobkovsky; Gordon T. Yee; Eckhard Bill; Paul J. Chirik","Square Planar vs Tetrahedral Geometry in Four Coordinate Iron(II) Complexes","Inorganic Chemistry","2005","44","","3103","3111","10.1021/ic048202+","","","0.71073","MoKα","","0.1064","0.0543","","","0.1162","0.1362","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100960","10.6501","0.0007","9.2391","0.0006","18.165","0.0012","90","0.0018","106.95","0.0018","90","0.0019","1709.74","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H52 Fe P2 -","- C38 H52 Fe P2 -","- C76 H104 Fe2 P4 -","2","0.5","","Eric J. Hawrelak; Wesley H. Bernskoetter; Emil Lobkovsky; Gordon T. Yee; Eckhard Bill; Paul J. Chirik","Square Planar vs Tetrahedral Geometry in Four Coordinate Iron(II) Complexes","Inorganic Chemistry","2005","44","","3103","3111","10.1021/ic048202+","","","0.71073","MoKα","","0.0904","0.0494","","","0.0972","0.1103","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100961","17.9931","0.0005","15.2837","0.0004","20.2132","0.0006","90","","90","","90","","5558.7","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H46 Fe P2 -","- C28 H46 Fe P2 -","- C224 H368 Fe8 P16 -","8","1","","Eric J. Hawrelak; Wesley H. Bernskoetter; Emil Lobkovsky; Gordon T. Yee; Eckhard Bill; Paul J. Chirik","Square Planar vs Tetrahedral Geometry in Four Coordinate Iron(II) Complexes","Inorganic Chemistry","2005","44","","3103","3111","10.1021/ic048202+","","","0.71073","MoKα","","0.0536","0.036","","","0.0799","0.0881","","","","","","1.054","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1100962","12.114","0.0005","13.1394","0.0006","19.0367","0.0009","90","","91.137","0.001","90","","3029.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Cl Fe P2 -","- C35 H35 Cl Fe P2 -","- C140 H140 Cl4 Fe4 P8 -","4","1","","Eric J. Hawrelak; Wesley H. Bernskoetter; Emil Lobkovsky; Gordon T. Yee; Eckhard Bill; Paul J. Chirik","Square Planar vs Tetrahedral Geometry in Four Coordinate Iron(II) Complexes","Inorganic Chemistry","2005","44","","3103","3111","10.1021/ic048202+","","","0.71073","MoKα","","0.1125","0.0536","","","0.1007","0.1183","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100963","10.6719","0.0013","14.4951","0.0017","11.6623","0.0014","90","","103.629","0.003","90","","1753.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 Cl10 Fe P2 -","- C32 H30 Cl10 Fe P2 -","- C64 H60 Cl20 Fe2 P4 -","2","0.5","","Eric J. Hawrelak; Wesley H. Bernskoetter; Emil Lobkovsky; Gordon T. Yee; Eckhard Bill; Paul J. Chirik","Square Planar vs Tetrahedral Geometry in Four Coordinate Iron(II) Complexes","Inorganic Chemistry","2005","44","","3103","3111","10.1021/ic048202+","","","0.71073","MoKα","","0.0899","0.0491","","","0.0898","0.101","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100964","11.643","0.006","11.702","0.006","17.89","0.009","72.939","0.011","74.285","0.009","70.911","0.019","2160.4","1.9","112","2","112","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Cl4 Mn4 N6 O14 -","- C36 H36 Cl4 Mn4 N6 O14 -","- C72 H72 Cl8 Mn8 N12 O28 -","2","1","","Jae Yoo; Wolfgang Wernsdorfer; En-Che Yang; Motohiro Nakano; Arnold L. Rheingold; David N. Hendrickson","One-Dimensional Chain of Tetranuclear Manganese Single-Molecule Magnets","Inorganic Chemistry","2005","44","","3377","3379","10.1021/ic048212a","","","0.71073","MoKα","","0.167","0.1055","","","0.2148","0.232","","","","","","1.586","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1100965","12.7724","0.0004","14.3104","0.0007","15.4164","0.0006","70.926","0.013","65.352","0.011","88.35","0.02","2401.4","0.4","193.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H40 Cu2 N2 P2 S4 W -","- C50 H40 Cu2 N2 P2 S4 W -","- C100 H80 Cu4 N4 P4 S8 W2 -","2","1","","Jian-Ping Lang; Chang-Mei Jiao; Shan-Bao Qiao; Wen-Hua Zhang; Brendan F. Abrahams","Acetic Acid Induced Self-Assembly of Supramolecular Compounds [Et4N]3[(WS4Cu2)2(μ-CN)3].2MeCN and [PPh4][WS4Cu3(μ-CN)2].MeCN from Preformed Clusters [A]2[WS4(CuCN)2] (A = Et4N, PPh4)","Inorganic Chemistry","2005","44","","3664","3668","10.1021/ic048224w","","","0.7107","MoKα","","","0.055","","","","0.07","","","","","","1.054","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100966","10.078","0.004","18.958","0.007","13.535","0.005","90","","101.785","0.004","90","","2531.5","1.7","193.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H66 Cu4 N8 S8 W2 -","- C15.5 H23 Cu2 N4 S4 W -","- C62 H92 Cu8 N16 S16 W4 -","4","1","","Jian-Ping Lang; Chang-Mei Jiao; Shan-Bao Qiao; Wen-Hua Zhang; Brendan F. Abrahams","Acetic Acid Induced Self-Assembly of Supramolecular Compounds [Et4N]3[(WS4Cu2)2(μ-CN)3].2MeCN and [PPh4][WS4Cu3(μ-CN)2].MeCN from Preformed Clusters [A]2[WS4(CuCN)2] (A = Et4N, PPh4)","Inorganic Chemistry","2005","44","","3664","3668","10.1021/ic048224w","","","0.7107","MoKα","","","0.038","","","","0.05","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100967","30.344","0.003","10.3195","0.0007","26.17","0.003","90","","128.202","0.003","90","","6439.7","1.1","193.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H46 Cu6 N6 P2 S8 W2 -","- C55.96 H16 Cu6 N6 P2 S8 W2 -","- C223.84 H64 Cu24 N24 P8 S32 W8 -","4","0.5","","Jian-Ping Lang; Chang-Mei Jiao; Shan-Bao Qiao; Wen-Hua Zhang; Brendan F. Abrahams","Acetic Acid Induced Self-Assembly of Supramolecular Compounds [Et4N]3[(WS4Cu2)2(μ-CN)3].2MeCN and [PPh4][WS4Cu3(μ-CN)2].MeCN from Preformed Clusters [A]2[WS4(CuCN)2] (A = Et4N, PPh4)","Inorganic Chemistry","2005","44","","3664","3668","10.1021/ic048224w","","","0.7107","MoKα","","","0.047","","","","0.057","","","","","","1.012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100968","22.608","0.002","6.6669","0.0007","15.527","0.002","90","","125.015","0.002","90","","1916.7","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 O12 Sn2 -","- C12 H24 O12 Sn2 -","- C48 H96 O48 Sn8 -","4","0.5","","Corrado Di Nicola; Agustin Galindo; John V. Hanna; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Eleonora Rivarola; Brian W. Skelton; Allan H. White","Synthesis and Spectroscopic and X-ray Structural Characterization of R2SnIV-Oxydiacetate and -Iminodiacetate Complexes","Inorganic Chemistry","2005","44","","3094","3102","10.1021/ic048240t","","","0.71073","MoKα","","0.027","0.024","","0.045","","0.043","","","1.101","","","1.105","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100969","8.137","0.001","17.648","0.003","14.085","0.002","90","","98.296","0.004","90","","2001.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Cl2 O7 Sn2 -","- C12 H24 Cl2 O7 Sn2 -","- C48 H96 Cl8 O28 Sn8 -","4","1","","Corrado Di Nicola; Agustin Galindo; John V. Hanna; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Eleonora Rivarola; Brian W. Skelton; Allan H. White","Synthesis and Spectroscopic and X-ray Structural Characterization of R2SnIV-Oxydiacetate and -Iminodiacetate Complexes","Inorganic Chemistry","2005","44","","3094","3102","10.1021/ic048240t","","","0.71073","MoKα","","0.07","0.058","","0.097","","0.09","","","1.151","","","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1100970","10.6103","0.0007","6.7816","0.0005","15.501","0.001","90","","107.231","0.001","90","","1065.31","0.13","150","","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 N O5 Sn -","- C7 H15 N O5 Sn -","- C28 H60 N4 O20 Sn4 -","4","1","","Corrado Di Nicola; Agustin Galindo; John V. Hanna; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Eleonora Rivarola; Brian W. Skelton; Allan H. White","Synthesis and Spectroscopic and X-ray Structural Characterization of R2SnIV-Oxydiacetate and -Iminodiacetate Complexes","Inorganic Chemistry","2005","44","","3094","3102","10.1021/ic048240t","","","0.71073","MoKα","","0.044","0.034","","0.05","","0.047","","","1.1","","","1.131","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1100971","5.787","0.002","8.807","0.003","6.41","0.002","90","","90","","90","","326.69","0.19","293","1","293","1","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cu Mn O4 V -","- Cu Mn O4 V -","- Cu4 Mn4 O16 V4 -","4","0.25","","Hamdi Ben Yahia; Etienne Gaudin; Jacques Darriet; Michael Banks; Reinhard K. Kremer; Antoine Villesuzanne; Myung-Hwan Whangbo","Synthesis, Crystal Structure, Magnetic Properties, and Electronic Structure of the New Ternary Vanadate CuMnVO4","Inorganic Chemistry","2005","44","","3087","3093","10.1021/ic048244y","","","0.71069","MoKα","","0.0356","0.0356","","","0.1091","0.1091","","","","1.71","1.71","1.71","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100972","6.6475","0.0006","9.5474","0.0009","9.883","0.001","94.11","0.002","99.429","0.002","104.141","0.002","595.91","0.1","293","","293","","","","","","","","","4","P -1","-P 1","2","hydrazinium/hydrazine tin(IV) selenide","hydrazinium/hydrazine tin(IV) selenide","","- H32 N14 Se6 Sn2 -","- H32 N14 Se6 Sn2 -","- H32 N14 Se6 Sn2 -","1","0.5","","David B. Mitzi","Synthesis, Structure, and Thermal Properties of Soluble Hydrazinium Germanium(IV) and Tin(IV) Selenide Salts","Inorganic Chemistry","2005","44","","3755","3761","10.1021/ic048276l","","x-ray","0.7093","MolybdenumKα","","0.023","0.023","","0.028","0.028","","","","","1.15","1.15","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100973","12.708","0.0012","12.708","0.0012","21.9553","0.002","90","","90","","90","","3545.6","0.6","293","","293","","","","","","","","","4","I 41 c d","I 4bw -2c","110","hydrazinium germanium(IV) selenide","hydrazinium germanium(IV) selenide","","- Ge2 H20 N8 Se6 -","- Ge2 H20 N8 Se6 -","- Ge16 H160 N64 Se48 -","8","0.5","","David B. Mitzi","Synthesis, Structure, and Thermal Properties of Soluble Hydrazinium Germanium(IV) and Tin(IV) Selenide Salts","Inorganic Chemistry","2005","44","","3755","3761","10.1021/ic048276l","","x-ray","0.7093","MolybdenumKα","","0.019","0.019","","0.027","0.027","","","","","0.98","0.98","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100974","15.816","0.003","8.9899","0.0017","11.474","0.002","90","","117.899","0.003","90","","1441.8","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[ZnCl4][H2Me2biim]","","","- C8 H12 Cl4 N4 Zn -","- C8 H10 Cl4 N4 Zn -","- C32 H40 Cl16 N16 Zn4 -","4","0.5","","Ruili Sang; Li Xu","A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties","Inorganic Chemistry","2005","44","","3731","3737","10.1021/ic048280x","","","0.71073","MoKα","","0.0813","0.0613","","","0.1299","0.1384","","","","","","1.633","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100975","11.747","0.003","13.566","0.004","14.367","0.004","90","","90","","90","","2289.5","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[Zn2Cl4(Me2biim)2]","","","- C16 H20 Cl4 N8 Zn2 -","- C16 H20 Cl4 N8 Zn2 -","- C64 H80 Cl16 N32 Zn8 -","4","0.5","","Ruili Sang; Li Xu","A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties","Inorganic Chemistry","2005","44","","3731","3737","10.1021/ic048280x","","","0.71073","MoKα","","0.0453","0.0414","","","0.1409","0.1452","","","","","","1.137","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100976","8.5217","0.0012","5.1528","0.0008","13.719","0.002","90","","97.24","0.003","90","","597.61","0.15","273","2","273","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C8 H10 Cd Cl2 N4 -","- C8 H10 Cd Cl2 N4 -","- C16 H20 Cd2 Cl4 N8 -","2","1","","Ruili Sang; Li Xu","A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties","Inorganic Chemistry","2005","44","","3731","3737","10.1021/ic048280x","","","0.71073","MoKα","","0.0513","0.0443","","","0.1243","0.1358","","","","","","1.136","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100977","30.503","0.005","4.8598","0.0009","16.322","0.003","90","","90","","90","","2419.5","0.7","273","2","273","2","","","","","","","","6","F d d 2","F 2 -2d","43","[CdBr2(N,N'-dimethylbiimidazole)]n","","","- C8 H10 Br2 Cd N4 O0 -","- C8 H10 Br2 Cd N4 -","- C64 H80 Br16 Cd8 N32 -","8","0.5","","Ruili Sang; Li Xu","A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties","Inorganic Chemistry","2005","44","","3731","3737","10.1021/ic048280x","","","0.71073","MoKα","","0.0978","0.0861","","","0.2436","0.2717","","","","","","1.512","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100978","5.3546","0.0012","15.7642","0.0008","15.773","0.002","90","","96.989","0.003","90","","1321.5","0.3","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","[CdI2(N,N'-dimethylbiimidazole)]n","","","- C8 H10 Cd I2 N4 -","- C8 H10 Cd I2 N4 -","- C32 H40 Cd4 I8 N16 -","4","1","","Ruili Sang; Li Xu","A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties","Inorganic Chemistry","2005","44","","3731","3737","10.1021/ic048280x","","","0.71073","MoKα","","0.1072","0.079","","","0.1394","0.1528","","","","","","1.813","","","","has coordinates","198386","2020-10-21","18:00:00",""
"1100979","9.857","0.0001","12.1339","0.0003","16.911","0.0004","82.535","0.001","86.419","0.001","68.443","0.001","1864.96","0.07","273","2","273","2","","","","","","","","5","P -1","-P 1","2","[Zn2(Me2biim)3][NO3]4","","","- C24 H36 N16 O15 Zn2 -","- C24 H30 N16 O15 Zn2 -","- C48 H60 N32 O30 Zn4 -","2","1","","Ruili Sang; Li Xu","A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties","Inorganic Chemistry","2005","44","","3731","3737","10.1021/ic048280x","","","0.71073","MoKα","","0.1371","0.0999","","","0.165","0.1775","","","","","","2.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100980","13.681","0.003","15.381","0.004","21.74","0.005","77.647","0.005","79.185","0.005","86.666","0.007","4388.6","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Cd3(Mebiim)8][ClO4]12","","","- C64 H86 Cd3 Cl6 N32 O27 -","- C64 H80 Cd3 Cl6 N32 O27.1 -","- C128 H160 Cd6 Cl12 N64 O54.2 -","2","1","","Ruili Sang; Li Xu","A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties","Inorganic Chemistry","2005","44","","3731","3737","10.1021/ic048280x","","","0.71073","MoKα","","0.0799","0.0632","","","0.1599","0.1725","","","","","","1.231","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100981","21.5769","0.0006","13.2251","0.0003","30.9126","0.0008","90","","95.586","0.005","90","","8779.2","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 B F10 N2 O2 Pd -","- C42 H48 B F10 N2 O2 Pd -","- C336 H384 B8 F80 N16 O16 Pd8 -","8","1","","Swarnalatha Kokatam; Thomas Weyhermüller; Eberhard Bothe; Phalguni Chaudhuri; Karl Wieghardt","Structural Characterization of Four Members of the Electron-Transfer Series [PdII(L)2)2]n (L = o-Iminophenolate Derivative; n= 2-, 1-, 0, 1+, 2+). Ligand Mixed Valency in the Monocation and Monoanion with S=1/2 Ground States","Inorganic Chemistry","2005","44","","3709","3717","10.1021/ic048292i","","","0.71073","MoKα","","0.0668","0.0482","","","0.0819","0.087","","","","","","1.14","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100982","10.1173","0.0006","10.4874","0.0006","12.6206","0.0006","67.012","0.005","73.738","0.005","88.769","0.005","1177.57","0.13","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C52 H58 Co F6 N2 O2 Pd -","- C52 H58 Co F6 N2 O2 Pd -","- C52 H58 Co F6 N2 O2 Pd -","1","1","","Swarnalatha Kokatam; Thomas Weyhermüller; Eberhard Bothe; Phalguni Chaudhuri; Karl Wieghardt","Structural Characterization of Four Members of the Electron-Transfer Series [PdII(L)2)2]n (L = o-Iminophenolate Derivative; n= 2-, 1-, 0, 1+, 2+). Ligand Mixed Valency in the Monocation and Monoanion with S=1/2 Ground States","Inorganic Chemistry","2005","44","","3709","3717","10.1021/ic048292i","","","0.71073","MoKα","","0.0308","0.03","","","0.0736","0.0742","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100983","13.5833","0.0005","16.8101","0.0007","18.3743","0.0007","78.548","0.005","72.946","0.005","78.209","0.005","3883.1","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C43.33 H51.33 B2.67 Cl2.67 F16.67 N2 O2 Pd -","- C43.3333 H51.3333 B2.66667 Cl2.66667 F16.6667 N2 O2 Pd -","- C130 H154 B8 Cl8 F50 N6 O6 Pd3 -","3","1.5","","Swarnalatha Kokatam; Thomas Weyhermüller; Eberhard Bothe; Phalguni Chaudhuri; Karl Wieghardt","Structural Characterization of Four Members of the Electron-Transfer Series [PdII(L)2)2]n (L = o-Iminophenolate Derivative; n= 2-, 1-, 0, 1+, 2+). Ligand Mixed Valency in the Monocation and Monoanion with S=1/2 Ground States","Inorganic Chemistry","2005","44","","3709","3717","10.1021/ic048292i","","","0.71073","MoKα","","0.0675","0.0568","","","0.1331","0.1401","","","","","","1.128","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100984","12.8217","0.0003","15.1119","0.0003","13.2926","0.0003","90","","98.21","0.005","90","","2549.18","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Cl6 F6 N2 Ni O10 -","- C44 H52 Cl6 F6 N2 Ni O10 -","- C88 H104 Cl12 F12 N4 Ni2 O20 -","2","0.5","","Swarnalatha Kokatam; Thomas Weyhermüller; Eberhard Bothe; Phalguni Chaudhuri; Karl Wieghardt","Structural Characterization of Four Members of the Electron-Transfer Series [PdII(L)2)2]n (L = o-Iminophenolate Derivative; n= 2-, 1-, 0, 1+, 2+). Ligand Mixed Valency in the Monocation and Monoanion with S=1/2 Ground States","Inorganic Chemistry","2005","44","","3709","3717","10.1021/ic048292i","","","0.71073","MoKα","","0.0592","0.0423","","","0.0984","0.1071","","","","","","1.029","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1100985","13.984","0.001","12.722","0.002","8.024","0.002","90","","90","","90","","1427.5","0.4","299.2","","299.2","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H12.4 O2 -","- C20 H8 O2 -","- C80 H32 O8 -","4","0.5","","Yamamura, Kimiaki; Kawashima Taiga; Eda, Kazuo; Tajima, Fukue; Hashimoto, Masao","Solid solution of triptycenequinone and triptycenehydroquinone as a non-stoichiometric quinhydrone. Bathochromic changes in color caused by local intermolecular interaction between p-benzoquinone and hydroquinone moieties","Journal of Molecular Structure","2005","737","1","1","6","10.1016/j.molstruc.2004.10.002","","","0.71073","MoKα","","0.1592","0.0882","","","0.2639","0.2835","","","","","","1.075","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100986","7.977","0.002","8.346","0.002","10.018","0.003","107.104","0.004","102.884","0.005","109.765","0.005","560","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","potassium tetramolybdate","","","- K2 Mo4 O13 -","- K2 Mo4 O13 -","- K4 Mo8 O26 -","2","1","","","","","","","","","","","","","0.71073","MoKα","","0.0464","0.0355","","","0.0875","0.0935","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100989","8.315","0.007","7.046","0.006","9.099","0.008","90","","107.483","0.017","90","","508.4","0.8","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-ethylurea","","","- C3 H8 N2 O -","- C3 H8 N2 O -","- C12 H32 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1562","0.0856","","","0.204","0.2321","","","","","","0.942","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100991","13.092","0.003","7.247","0.0018","9.288","0.002","90","","103.348","0.004","90","","857.4","0.4","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,4-diureidoalkane","","","- C6 H14 N4 O2 -","- C6 H14 N4 O2 -","- C24 H56 N16 O8 -","4","0.5","","Eda, Kazuo; Okazaki, Tadashi; Yamamura, Kimiaki; Hashimoto, Masao","Three-dimensional supramolecular assembly having infinite two-dimensional interlocking networks built up only from simple and non-rigid organic molecules via hydrogen bonds. Crystal structures of α,ω-diureidoalkanes H~2~N(CO)NH–(CH~2~)n–NH(CO)NH~2~ with n=4 and 5","Journal of Molecular Structure","2005","752","1-3","93","97","10.1016/j.molstruc.2005.05.042","","","0.71073","MoKα","","0.062","0.0448","","","0.1072","0.1168","","","","","","1.136","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100992","4.6629","0.0015","5.7364","0.0019","25.863","0.008","90","","94.627","0.005","90","","689.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-butylurea","","","- C5 H12 N2 O -","- C5 H12 N2 O -","- C20 H48 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.0652","0.0489","","","0.132","0.1412","","","","","","0.988","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100994","8.2002","0.0014","13.084","0.002","9.2354","0.0015","90","","90","","90","","990.8","0.3","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","1,5-diureidoalkane","","","- C7 H16 N4 O2 -","- C7 H16 N4 O2 -","- C28 H64 N16 O8 -","4","0.5","","Eda, Kazuo; Okazaki, Tadashi; Yamamura, Kimiaki; Hashimoto, Masao","Three-dimensional supramolecular assembly having infinite two-dimensional interlocking networks built up only from simple and non-rigid organic molecules via hydrogen bonds. Crystal structures of α,ω-diureidoalkanes H~2~N(CO)NH–(CH~2~)n–NH(CO)NH~2~ with n=4 and 5","Journal of Molecular Structure","2005","752","1-3","93","97","10.1016/j.molstruc.2005.05.042","","","0.71073","MoKα","","0.0524","0.0393","","","0.1057","0.1163","","","","","","1.049","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100995","13.026","0.003","7.2083","0.0016","9.277","0.002","90","","110.861","0.003","90","","813.9","0.3","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-pentylurea","","","- C6 H14 N2 O -","- C6 H14 N2 O -","- C24 H56 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1071","0.049","","","0.1089","0.1241","","","","","","0.829","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100996","12.976","0.003","7.4298","0.0016","9.287","0.002","90","","92.73","0.004","90","","894.4","0.3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-hexylurea","","","- C7 H16 N2 O -","- C7 H16 N2 O -","- C28 H64 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.089","0.0529","","","0.1273","0.1424","","","","","","0.897","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100998","14.407","0.004","7.529","0.0018","9.318","0.002","90","","102.426","0.004","90","","987.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-heptylurea","","","- C8 H18 N2 O -","- C8 H18 N2 O -","- C32 H72 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1446","0.0786","","","0.1945","0.2253","","","","","","0.897","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100999","15.425","0.004","17.603","0.005","18.426","0.005","64.772","0.005","67.794","0.004","79.16","0.006","4188","2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 Mo36 N8 O156 -","- C32 Mo36 N8 O156 -","- C32 Mo36 N8 O156 -","1","0.5","","Kazuo Eda; Yuichi Iriki","","Chemistry Letters","","","","","","","","","0.71073","MoKα","","0.1342","0.0846","","","0.2081","0.2348","","","","","","0.976","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1101000","16.407","0.018","7.558","0.009","9.321","0.011","90","","93.17","0.03","90","","1154","2","360","2","360","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-octylurea","","","- C9 H20 N2 O -","- C9 H15 N2 O -","- C36 H60 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.2218","0.1206","","","0.2751","0.3131","","","","","","0.781","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101001","32.02","0.006","7.4123","0.0014","9.3147","0.0017","90","","97.939","0.004","90","","2189.6","0.7","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","n-octylurea","","","- C9 H20 N2 O -","- C9 H20 N2 O -","- C72 H160 N16 O8 -","8","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.093","0.0607","","","0.1587","0.1725","","","","","","0.955","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101002","17.774","0.004","7.4623","0.0016","9.264","0.002","90","","103.726","0.004","90","","1193.7","0.5","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-nonylurea","","","- C10 H22 N2 O -","- C10 H22 N2 O -","- C40 H88 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1056","0.0566","","","0.1357","0.1549","","","","","","0.856","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101003","19.386","0.003","14.7539","0.0018","18.465","0.002","70.538","0.002","85.632","0.003","123.229","0.002","3934.9","0.9","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 Mo36 N8 O142 -","- C40 Mo36 N8 O142 -","- C40 Mo36 N8 O142 -","1","0.5","","Kazuo Eda; Yuichi Iriki","","Chemistry Letters","","","","","","","","","0.71073","MoKα","","0.1183","0.0773","","","0.1894","0.2184","","","","","","0.968","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1101004","18.336","0.004","7.5383","0.0015","9.2943","0.0019","90","","94.584","0.004","90","","1280.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-decylurea","","","- C11 H24 N2 O -","- C11 H24 N2 O -","- C44 H96 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.131","0.0474","","","0.0968","0.1126","","","","","","0.786","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101005","18.007","0.004","7.5233","0.0015","9.2731","0.0018","90","","96.371","0.004","90","","1248.5","0.4","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-decylurea","","","- C11 H24 N2 O -","- C11 H24 N2 O -","- C44 H96 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1258","0.0517","","","0.1201","0.1425","","","","","","0.754","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101006","16.552","0.003","17.108","0.003","17.298","0.003","67.803","0.003","68.165","0.003","81.981","0.003","4210.1","1.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 Mo36 N8 O146 -","- C44 Mo36 N8 O146 -","- C44 Mo36 N8 O146 -","1","0.5","","Kazuo Eda; Yuichi Iriki","","Chemistry Letters","","","","","","","","","0.71073","MoKα","","0.1447","0.0913","","","0.2152","0.2381","","","","","","1.044","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1101007","19.617","0.003","7.5941","0.0013","9.3394","0.0016","90","","97.54","0.003","90","","1379.3","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-undecylurea","","","- C12 H26 N2 O -","- C12 H26 N2 O -","- C48 H104 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.0838","0.06","","","0.164","0.1767","","","","","","1.021","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101008","42.43","0.01","7.5982","0.0018","9.295","0.002","90","","95.624","0.004","90","","2982.3","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","n-dodecylurea","","","- C13 H28 N2 O -","- C13 H28 N2 O -","- C104 H224 N16 O8 -","8","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1497","0.0563","","","0.1178","0.1392","","","","","","0.905","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101009","21.1","0.009","7.364","0.003","9.2","0.004","90","","95.085","0.008","90","","1423.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-dodecylurea","","","- C13 H28 N2 O -","- C13 H28 N2 O -","- C52 H112 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1762","0.0793","","","0.1874","0.2223","","","","","","0.845","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101010","23.124","0.008","7.542","0.002","9.299","0.003","90","","99.751","0.007","90","","1598.3","0.9","314","2","314","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-tridecylurea","","","- C14 H30 N2 O -","- C14 H30 N2 O -","- C56 H120 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.2381","0.069","","","0.1585","0.2057","","","","","","0.687","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101011","22.936","0.005","7.4127","0.0016","9.314","0.002","90","","99.29","0.004","90","","1562.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-tridecylurea","","","- C14 H30 N2 O -","- C14 H30 N2 O -","- C56 H120 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1381","0.0729","","","0.1601","0.1827","","","","","","0.883","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101012","21.986","0.01","7.405","0.003","9.313","0.004","90","","93.909","0.008","90","","1512.7","1.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-tridecylurea","","","- C14 H30 N2 O -","- C14 H30 N2 O -","- C56 H120 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1411","0.0801","","","0.2073","0.2288","","","","","","0.937","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101013","23.601","0.007","7.639","0.002","9.326","0.003","90","","94.882","0.006","90","","1675.4","0.9","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-tetradecylurea","","","- C15 H32 N2 O -","- C15 H32 N2 O -","- C60 H128 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1789","0.0583","","","0.1353","0.166","","","","","","0.831","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101014","23.257","0.006","7.4723","0.0019","9.269","0.002","90","","90.332","0.005","90","","1610.8","0.7","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-tetradecylurea","","","- C15 H32 N2 O -","- C15 H32 N2 O -","- C60 H128 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1301","0.0602","","","0.1349","0.1587","","","","","","0.882","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101015","6.844","0.002","6.933","0.002","9.339","0.002","76.617","0.003","84.188","0.007","74.51","0.008","415.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","cobalt molybdate hydrate","","","- Co4 H6 Mo4 O19 -","- Co4 Mo4 O19 -","- Co4 Mo4 O19 -","1","0.5","","Eda, Kazuo; Uno, Yuichi; Nagai, Noriko; Sotani, Noriyuki; Whittingham, M. Stanley","Crystal structure of cobalt molybdate hydrate CoMoO~4~·nH2O","Journal of Solid State Chemistry","2005","178","9","2791","2797","10.1016/j.jssc.2005.06.014","","","0.71073","MoKα","","0.0888","0.0683","","","0.1634","0.1707","","","","","","0.984","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1101017","6.3067","0.0004","7.782","0.0005","12.7658","0.0008","100.043","0.001","91.562","0.001","107.339","0.001","586.8","0.06","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H32 Cl2 Co2 N8 O6 S4 -","- C8 H32 Cl2 Co2 N8 O6 S4 -","- C8 H32 Cl2 Co2 N8 O6 S4 -","1","0.5","","Raj Pal Sharma; Rajni Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas","","Journal of Coordination Chemistry","2005","58","","1099","1104","10.1080/00958970500138355","","","0.71073","MoKα","","0.0203","0.0199","","","0.0537","0.0539","","","","","","1.082","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101019","3.9195998","","3.9195998","","3.9195998","","90","","90","","90","","60.22","","","","","","","","","","","","","1","Fm-3m","","","","","","- Pt -","- Pt4 -","- Pt4 -","","","","","","","","","","","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1101030","5.189","0.01","8.996","0.006","20.096","0.02","90","","95.18","0.08","90","","934.3","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Potassium alumosilicate hydrate *","Muscovite 2M1","- Al3 H2 K O12 Si3 -","- Al3 H3 K O12 Si3 -","- Al12 H12 K4 O48 Si12 -","4","0.5","","Radoslovich, E. W.","The Structure of Muscovite, KAl~2~(Si~3~Al)O~10~(OH)~2~","Acta Crystallographica","1960","13","11","919","932","10.1107/s0365110x60002259","","","","","","0.125","","","","","","","","","","","","","","","has coordinates","200780","2020-10-21","18:00:00",""
"1101035","5","0.01","5.72","0.01","11.12","0.02","90","","90","","90","","318","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","Tin (II) oxide - red modification","","- O Sn -","- O Sn -","- O8 Sn8 -","8","1","","Donaldson, J. D.; Moser, W.; Simpson, W. B.","178. Red tin(II) oxide","Journal of the Chemical Society","1961","","","839","841","10.1039/jr9610000839","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1101045","4.244","","4.244","","4.244","","90","","90","","90","","76.4","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Titanium(III) nitride","Osbornite","- N Ti -","- N Ti -","- N4 Ti4 -","4","0.0208333","","Ehrlich, P; Juza, R","Review of German Science, 1939-1946, Inorganic Chemistry.","Fiat Review of German Science","1948","2","","64","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101047","2.9795","","2.9795","","28.96492","","90","","90","","120","","227.8","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Titanium nitride (4/2.33) - ζ","Osbornite","- N2.333 Ti4 -","- N2.332 Ti4 -","- N6.996 Ti12 -","3","0.0833333","","Lengauer, W.; Ettmayer, P.","The crystal structure of a new phase in the titanium-nitrogen system","Journal of the Less-Common Metals","1986","120","","153","159","10.1016/0022-5088(86)90637-5","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","180595","2020-10-21","18:00:00",""
"1101052","11.0481","0.0005","18.27","0.0008","21.386","0.0009","65.966","0.001","83.287","0.001","86.043","0.001","3914.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H72 N40 Ni9 O42 -","- C40 H30 N40 Ni9 O42 -","- C80 H60 N80 Ni18 O84 -","2","1","","Sawsan Salameh; Mohammad Abul-Haj; Miguel Quirós; Juan M. Salas","","European Journal of Inorganic Chemistry","2005","","","2779","2782","","","","0.71073","MoKα","","0.1142","0.0808","","","0.2202","0.2454","","","","","","1.006","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101053","7.5479","0.0015","15.391","0.003","18.527","0.004","90","","90","","90","","2152.3","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","potassium tetramolybdate","","","- K2 Mo4 O13 -","- K2 Mo4 O13 -","- K16 Mo32 O104 -","8","1","","Kazuo Eda; Kin Chin; Noriyuki Sotani; M. Stanley Whittingham","","Journal of Solid State Chemistry","","","","","","","","","0.71073","MoKα","","0.0344","0.0297","","","0.0764","0.0797","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101054","5.18","","8.98","","15","","90","","90","","90","","697.75","","","","","","","","","","","","","4","P1","","","Montmorillonite","","","- Al2 Ca O12 Si4 -","- Al4 Ca O24 Si8 -","- Al4 Ca O24 Si8 -","","","","","","","","","","","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101055","27.864","0.003","27.864","0.003","12.983","0.0017","90","","90","","120","","8729.7","1.6","293","2","293","2","","","","","","","","3","P 63","P 6c","173","triptycenehydroquinone (TPHQ)","","","- C20 H14 O2 -","- C20 H14 O2 -","- C480 H336 O48 -","24","4","","Yamamura, Kimiaki; Kawashima Taiga; Eda, Kazuo; Tajima, Fukue; Hashimoto, Masao","Solid solution of triptycenequinone and triptycenehydroquinone as a non-stoichiometric quinhydrone. Bathochromic changes in color caused by local intermolecular interaction between p-benzoquinone and hydroquinone moieties","Journal of Molecular Structure","2005","737","1","1","6","10.1016/j.molstruc.2004.10.002","","","0.71073","MoKα","","0.2565","0.1194","","","0.2649","0.3423","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101056","6.8078","0.0001","9.3184","0.0002","17.5481","0.0003","90","","90","","90","","1113.21","0.03","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Whitby, Richard J.; Hunter, Rupert","","private communication","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101057","10.046","0.002","13.354","0.003","13.128","0.003","90","","112.08","0.03","90","","1631.9","0.6","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Cl2 N8 O4 Pt -","- C10 H12 Cl2 N8 O4 Pt -","- C40 H48 Cl8 N32 O16 Pt4 -","4","1","","Salas, Juan M.; Quirós, Miguel; Abul Haj, Mohammad; Magán, Rosa; Marín, Clotilde; Sáchez-Moreno, Manuel; Faure, René","Activity of Pt(II) and Ru(III) Triazolopyrimidine Complexes Against Parasites of the Genus Leishmania, Trypanosomas and Phytomonas","Metal-Based Drugs","2001","8","3","119","124","10.1155/MBD.2001.119","","","","","","","","","","","","","","","","","","","","","has coordinates","199777","2020-10-21","18:00:00",""
"1101058","5.3881","0.0007","18.245","0.002","8.71","0.0008","90","","97.946","0.009","90","","848.04","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag2 N10 O8 -","- C10 H8 Ag2 N10 O8 -","- C20 H16 Ag4 N20 O16 -","2","0.5","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure","Silver complexes with triazolopyrimidine ligands containing an exocyclic oxygen atom: X-ray evidence for an unusual tautomeric form.","Dalton Transactions","2001","","","1798","1801","10.1039/B100869M","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101059","5.6419","0.0011","8.6644","0.0017","11.136","0.002","74.07","0.03","81.49","0.03","76.53","0.03","507.02","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Ag2 Cl2 N8 O12 -","- C10 H12 Ag2 Cl2 N8 O12 -","- C10 H12 Ag2 Cl2 N8 O12 -","1","0.5","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure","Silver complexes with triazolopyrimidine ligands containing an exocyclic oxygen atom: X-ray evidence for an unusual tautomeric form.","Dalton Transactions","2001","","","1798","1801","10.1039/B100869M","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101060","6.6046","0.001","14.487","0.002","9.9594","0.0012","90","","93.379","0.01","90","","951.3","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C5 H4 Ag Cl N4 O5 -","- C5 H4 Ag Cl N4 O5 -","- C20 H16 Ag4 Cl4 N16 O20 -","4","1","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure","Silver complexes with triazolopyrimidine ligands containing an exocyclic oxygen atom: X-ray evidence for an unusual tautomeric form.","Dalton Transactions","2001","","","1798","1801","10.1039/B100869M","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101061","25.778","0.005","13.521","0.003","13.315","0.003","90","","98.06","0.03","90","","4595","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Ag2 N26 O14 Pt2 -","- C36 H24 Ag2 N26 O14 Pt2 -","- C144 H96 Ag8 N104 O56 Pt8 -","4","0.5","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure","Structure of a tetranuclear heterometallic Ag(I)-Pt(II) complex with a triazolopyrimidine derivative.","Inorganic Chemistry Communications","2001","4","","254","256","10.1016/S1387-7003(01)00190-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101062","5.4931","0.0012","15.038","0.003","5.6511","0.0011","90","","90","","90","","466.81","0.17","1100","","1100","","","","","","","","","3","Imma(00\g)s00","","","","","","- Ca2 Fe2 O5 -","- Ca2 Fe3 O6 -","- Ca8 Fe12 O24 -","4","","SN5023","Krüger, Hannes; Kahlenberg, Volker","Incommensurately modulated ordering of tetrahedral chains in Ca~2~Fe~2~O~5~ at elevated temperatures","Acta Crystallographica Section B","2005","61","06","656","662","10.1107/S0108768105026480","","","0.71073","MoKα","","0.0667","0.053","","","0.0535","0.055","","","","3.15","3.15","2.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101063","5.4473","0.0008","14.839","0.002","5.6185","0.0008","90","","90","","90","","454.15","0.12","485","5","485","5","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Kruger, Hannes; Kahlenberg, Volker","","'Unpublished'","","","","","","","","","","","","","","","","","","","","","2.73","2.73","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101064","5.4589","0.0008","14.907","0.002","5.6277","0.0008","90","","90","","90","","457.95","0.12","700","5","700","5","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Kruger, Hannes; Kahlenberg, Volker","","'Unpublished'","","","","","","","","","","","","","","","","","","","","","2.87","2.87","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101065","5.472","0.0008","14.975","0.002","5.6368","0.0008","90","","90","","90","","461.89","0.12","900","5","900","5","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Kruger, Hannes; Kahlenberg, Volker","","'Unpublished'","","","","","","","","","","","","","","","","","","","","","3.18","3.18","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101066","5.4421","0.0008","14.785","0.002","5.6112","0.0008","90","","90","","90","","451.5","0.12","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Kruger, Hannes; Kahlenberg, Volker","","'Unpublished'","","","","","","","","","","","","","","","","","","","","","2.9","2.9","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101067","12.5","0.05","5.01","0.02","12.16","0.04","90","","109","","90","","720.031","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","Mendel, H.; Hodgkin, D. C.","The crystal structure of creatine monohydrate","Acta Crystallographica","1954","7","5","443","446","10.1107/S0365110X54001326","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101069","12.51","0.006","5.048","0.001","12.191","0.001","90","","108.9","0.3","90","","728.36","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","Y.Kato; Y.Haimoto; K.Sakurai","","Bull.Chem.Soc.Jpn.","1979","52","","233","","10.1246/bcsj.52.233","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101070","12.492","0.004","4.967","0.001","12.051","0.004","90","","109.1","0.02","90","","706.574","","","","20","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Creatine monohydrate","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","C.S.Frampton; C.C.Wilson; N.Shankland; A.J.Florence","","J.Chem.Soc.,Faraday Trans.","1997","93","","1875","","10.1039/a701292f","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101071","12.489","0.007","4.987","0.001","12.075","0.006","90","","108.86","0.03","90","","711.686","","","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Creatine monohydrate","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","Frampton, Christopher S.; Wilson, Chick C.; Shankland, Norman; Florence, Alastair J.","Single-crystal neutron refinement of creatine monohydrate at 20 K and 123 K","Journal of the Chemical Society, Faraday Transactions","1997","93","10","1875","1879","10.1039/a701292f","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101072","12.159","0.001","5.038","0.002","12.491","0.002","90","","108.87","0.01","90","","724.038","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","N-(Aminoiminomethyl)-N-methylglycine monohydrate","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","Arakali, Aruna V.; McCloskeyt, J.; Parthasarathy, R.; Alderfer, J. L.; Chheda, G. B.; Srikrishnan, T.","Study of Creatinine and its 5-Alkoxy Analogs: Structure and Conformational Studies in the Solid and Solution States by X-Ray Crystallography, NMR, UV and Mass Spectrometry","Nucleosides & Nucleotides","1997","16","12","2193","2218","10.1080/07328319708002567","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101073","10.2473","0.0005","16.1318","0.0008","16.2087","0.0012","90","","90","","90","","2679.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Cu2 N16 O8 -","- C20 H20 Cu2 N16 O8 -","- C80 H80 Cu8 N64 O32 -","4","0.5","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; José A. Dobado; José Molina Molina; Manuel G. Basallote; M. Ángeles Máñez","","European Journal of Inorganic Chemistry","2002","","","811","818","","","","","","","","0.1138","","","0.1913","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101074","11.9565","0.0015","14.422","0.003","23.888","0.004","90","","104.132","0.01","90","","3994.5","1.2","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 Cu2 N14 O14 -","- C34 H22 Cu2 N14 O14 -","- C136 H88 Cu8 N56 O56 -","4","1","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; José A. Dobado; José Molina Molina; Manuel G. Basallote; M. Ángeles Máñez","","European Journal of Inorganic Chemistry","2002","","","811","818","","","","","","","","0.0718","","","0.1386","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101075","11.6132","0.0009","12.2274","0.0008","14.7856","0.0012","97.278","0.007","108.381","0.006","110.615","0.006","1796.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 Cl2 Cu2 N16 O15.5 -","- C22 H24 Cl2 Cu2 N16 O15.5 -","- C44 H48 Cl4 Cu4 N32 O31 -","2","1","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; José A. Dobado; José Molina Molina; Manuel G. Basallote; M. Ángeles Máñez","","European Journal of Inorganic Chemistry","2002","","","811","818","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1101076","15.75","0.006","19.125","0.003","4.03","0.004","90","","91.68","0.08","90","","1213.4","1.3","296","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","Iron tetralead hexaantimony sulfide","Jamesonite","- Fe Pb4 S14 Sb6 -","- Fe Pb4 S14 Sb6 -","- Fe2 Pb8 S28 Sb12 -","2","0.5","","Matsushita, Yoshitaka; Ueda, Yutaka","Structure and Physical Properties of 1D Magnetic Chalcogenide, Jamesonite (FePb4Sb6S14)","Inorg. Chem.","2003","42","","7830","7838","10.1021/ic034634t","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1101077","8.2437","0.0002","8.2437","0.0002","8.2437","0.0002","90","","90","","90","","560.23","0.02","295","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Li O4 V2 -","- Li O4 V2 -","- Li8 O32 V16 -","8","0.0416667","MG6039","Matsushita, Yoshitaka; Yamaura, Jun-Ichi; Ueda, Yutaka","Lithium divanadate spinel, LiV~2~O~4~","Acta Crystallographica, Section E","2005","61","8","i137","i139","10.1107/S1600536805020155","","","0.71073","MoKα","","","0.0261","","","","0.0762","","","","","","0.845","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1101078","8.4812","0.0013","10.5077","0.0012","11.8177","0.0013","80.425","0.009","71.135","0.01","86.857","0.011","982.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H52 Br1.33 N10.67 O18 -","- C24 H52 Br1.34 N10.66 O17.98 -","- C24 H52 Br1.34 N10.66 O17.98 -","1","0.5","","Manuel G. Basallote; Joaquín Durán; María J. Fernández-Trujillo; M. Ángeles Máñez; Miguel Quirós; Juan M. Salas","","Polyhedron","2001","20","","297","305","10.1016/S0277-5387(00)00630-6","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","201202","2020-10-21","18:00:00",""
"1101079","4.9038","0.0005","23.481","0.003","15.392","0.002","90","","90.14","0.01","90","","1772.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Na6 O19 Si8 -","- Na6 O19 Si8 -","- Na24 O76 Si32 -","4","1","","Kruger, Hannes; Kahlenberg, Volker; Kaindl, R.","Structural studies on Na6Si8O19 - a monophyllosilicate with a new type of layered silicate anion","Solid State Sciences","2005","7","","1390","1396","10.1016/j.solidstatesciences.2005.08.002","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101080","8.272","0.004","8.271986","","17.581","0.002","90","","90","","120","","1041.82","","","","","","","","","","","","","5","P -3 1 c","","","Caesium Molybdosilicophosphate","","","- Cs Mo3 O25 P5.8 Si2 -","- Cs Mo3 O25 P5.802 Si2 -","- Cs2 Mo6 O50 P11.604 Si4 -","2","0.166667","","","Caesium Molybdosilicophosphate","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101081","4.241","","4.241","","4.241","","90","","90","","90","","76.28","","","","","","","","","","","","","2","F m -3 m","","","Phase_x","","","- N Ti -","- N4 Ti4 -","- N4 Ti4 -","1","0.00520833","","","A1803_4","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101082","3.9483006","","3.9483006","","3.9128053","","90","","90","","90","","61","","","","","","","","","","","","","4","P 4 m m","","","Lead titanium oxide","","","- Hf0.4 O3 Pb Ti0.6 -","- Ca0.24 O3 Pb0.76 Ti -","- Ca0.24 O3 Pb0.76 Ti -","1","0.125","","","LaB6 powder 1x1 slits","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101084","15.468","0.006","20.652","0.01","25.162","0.005","90","","90","","90","","8038","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H26 Cl2 N12 O12 Pd2 -","- C34 H22 Cl2 N12 O12 Pd2 -","- C272 H176 Cl16 N96 O96 Pd16 -","8","1","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas","Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines","J. Chem. Soc., Dalton Trans.","2002","","24","4740","4745","10.1039/b207263g","","","0.71073","MoKα","","0.2782","0.1483","","","0.2413","0.2882","","","","","","1.485","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101085","11.1799","0.0014","18.94","0.0018","9.6374","0.0008","90","","90","","90","","2040.7","0.4","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C26 H29 Cl3 N16 O19 Pd2 -","- C26 H18 Cl3 N16 O19 Pd2 -","- C52 H36 Cl6 N32 O38 Pd4 -","2","0.25","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas","Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines","J. Chem. Soc., Dalton Trans.","2002","","24","4740","4745","10.1039/b207263g","","","0.71073","MoKα","","0.1404","0.0821","","","0.1705","0.2107","","","","","","1.114","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"1101086","26.509","0.002","26.509","0.002","10.1184","0.0013","90","","90","","120","","6157.9","1","293","2","293","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C26 H30 N18 O14 Pt2 -","- C26 H18 N18 O14 Pt2 -","- C156 H108 N108 O84 Pt12 -","6","0.5","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas","Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines","J. Chem. Soc., Dalton Trans.","2002","","24","4740","4745","10.1039/b207263g","","","0.71073","MoKα","","0.0782","0.0494","","","0.1524","0.1703","","","","","","1.137","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101087","54.836","0.008","15.923","0.001","12.299","0.001","90","","94.382","0.009","90","","10707.5","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cu F12 N6 P2 -","- C36 H24 Cu F12 N6 P2 -","- C432 H288 Cu12 F144 N72 P24 -","12","1.5","","José M. Seco; María J. González Garmendia; Miguel Quirós","","Journal of Coordination Chemistry","2002","55","","345","351","10.1080/00958970211891","","","","","","","0.0883","","","0.2557","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101089","11.4188","0.0011","10.5354","0.0012","14.2058","0.0013","90","","97.179","0.008","90","","1695.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl2 N8 O V -","- C12 H12 Cl2 N8 O V -","- C48 H48 Cl8 N32 O4 V4 -","4","1","","Juan Cancela; María J. González Garmendia; Miguel Quirós","","Inorganica Chimica Acta","2001","313","","156","159","10.1016/S0020-1693(00)00373-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101090","28.836","0.003","3.6902","0.0002","12.116","0.001","90","","109.763","0.003","90","","1213.3","0.5","253","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H5 N4 O1.5 -","- C5 H5 N4 O1.25 -","- C40 H40 N32 O10 -","8","1","","Mohammad Abul Haj; Juan M. Salas; Miguel Quirós; José Molina; René Faure","5-Oxo and 7-oxo derivatives of [1,2,4]triazolo-[1,5-a]pyrimidine: characterization and theoretical study","Journal of Molecular Structure","2000","519","","165","172","10.1016/S0022-2860(99)00303-8","","","","","","","0.036","","","0.037","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101092","7.2653","0.0005","7.9452","0.0006","12.5441","0.001","84.702","0.006","75.186","0.006","78.932","0.005","686.3","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H13 Cd Cl2 N5 O4 -","- C8 H13 Cd Cl2 N5 O4 -","- C16 H26 Cd2 Cl4 N10 O8 -","2","1","","Ángel García Raso; Juan J. Fiol; Ferran Bádenas; Rosa Cons; Ángel Terrón; Miguel Quirós","Synthesis and structural studies of metal-acyclovir (ACV) complexes: [Ni(or Co)(ACV)~2~(H~2~O)~4~]Cl~2~.2ACV, [Zn(ACV)Cl~2~(H~2~O)], [Cd(ACV)Cl~2~].H~2~O and [{Hg(ACV)Cl~2~}~x~]. Recognition of acyclovir by Ni-ACV","Journal of the Chemical Society, Dalton Transactions","1999","","","167","173","","","","","","","","0.022","","","0.058","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101093","9.7368","0.0008","12.3461","0.0011","17.1837","0.0014","78.372","0.006","74.585","0.006","71.113","0.005","1869","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 Co N12 O8 -","- C34 H42 Co N12 O8 -","- C68 H84 Co2 N24 O16 -","2","1","","Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","A cobalt(II) complex with the N,N,O-tridentate ligand 6-amino-5-formyl-1,3-dimethyluracilato-benzoyl-hydrazone","Journal of Chemical Crystallography","1999","29","","283","286","10.1023/A:1009565600126","","","","","","","0.0446","","","0.114","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101094","13.4973","0.0009","7.4289","0.0005","12.1669","0.0008","90","","109.511","0.001","90","","1149.92","0.13","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- B Cl2 Co F4 H18 N6 -","- B Cl2 Co F4 H18 N6 -","- B4 Cl8 Co4 F16 H72 N24 -","4","1","","Raj Pal Sharma; Ritu Bala; Rajni Sharma; Paloth Venugopalan; Juan M. Salas; Miguel Quirós","Second sphere coordination in anion binding: Synthesis, spectroscopic characterization and single crystal X-ray structure determination of hexaamminecobalt(III) dichloride tetrafluoroborate","Journal of Fluorine Chemistry","2005","126","","1543","1548","10.1016/j.jfluchem.2005.09.002","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101095","6.9193","0.0007","11.8361","0.0008","15.259","0.002","90","","97.482","0.01","90","","1239","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cu N7 O5 -","- C8 H11 Cu N7 O5 -","- C32 H44 Cu4 N28 O20 -","4","1","","Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis, spectral and XRD studies on three O-nitrito-complexes with new N,N,O-tridentate Schiff bases derived from 6-amino-5-formyl-1,3-dimethyluracil and semicarbazide, acetylhydrazine and benzoylhydrazine","Polyhedron","1999","18","","351","360","10.1016/S0277-5387(98)00303-9","","","","","","","0.0347","","","0.0971","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101096","5.291","0.0005","12.0171","0.0009","21.792","0.002","90","","93.981","0.009","90","","1382.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Cu N6 O6 -","- C9 H14 Cu N6 O6 -","- C36 H56 Cu4 N24 O24 -","4","1","","Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis, spectral and XRD studies on three O-nitrito-complexes with new N,N,O-tridentate Schiff bases derived from 6-amino-5-formyl-1,3-dimethyluracil and semicarbazide, acetylhydrazine and benzoylhydrazine","Polyhedron","1999","18","","351","360","10.1016/S0277-5387(98)00303-9","","","","","","","0.0808","","","0.1241","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101097","7.783","0.001","8.0754","0.0009","10.252","0.002","99.326","0.012","103.785","0.013","118.47","0.009","520.67","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Cl2 Cu N8 O6 -","- C16 H20 Cl2 Cu N8 O6 -","- C16 H20 Cl2 Cu N8 O6 -","1","0.5","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis and structural studies on new M^II^X~2~L~2~ dihalocomplexes of 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of the monodimensionally hydrogen-bonded dichloro-bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-O^4^,N^5^) copper(II) dihydrate","Polyhedron","1999","18","","85","91","10.1016/S0277-5387(98)00270-8","","","","","","","0.0692","","","0.1578","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101098","39.54","0.05","8.72","0.01","22.89","0.03","90","","95.26","0.1","90","","7859","17","293","2","293","2","","","101.3","","","","","4","C 1 2 1","C 2y","5","3',5'-di-O-acetyl-N(4)-hydroxy-2'-deoxycytidine","","","- C65 H85 N15 O35 -","- C65 H85 N15 O35 -","- C260 H340 N60 O140 -","4","1","","Jarmula, Adam; Rypniewski, Wojciech R.; Felczak, Krzysztof; Rode, Wojciech","","Struct. Chem.","2005","","","541","549","10.1007/s11224-005-6058-9","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1101099","21.72","0.03","8.72","0.01","8.61","0.01","90","","90.42","0.1","90","","1631","3","293","2","293","2","","","101.3","","","","","5","C 1 2 1","C 2y","5","3',5'-di-O-acetyl-N(4)-hydroxy-5-fluoro-2'-deoxycytidine","","","- C13 H16 F N3 O7 -","- C13 H16 F N3 O7 -","- C52 H64 F4 N12 O28 -","4","1","","Jarmula, Adam; Rypniewski, Wojciech R.; Felczak, Krzysztof; Rode, Wojciech","","Struct. Chem.","2005","","","541","549","10.1007/s11224-005-6058-9","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1101100","12.925","0.003","6.367","0.001","16.628","0.003","90","","98.07","0.02","90","","1354.8","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Alejandro F. Barrero; María M. Herrador; Ramón J. Álvarez-Manzaneda; Miguel Quirós; Armando Lara; José Quílez del Moral","Longipinene derivatives from Santolina Viscosa","Journal of Natural Products","2000","63","","587","591","10.1021/np9904206","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101101","17.397","0.0005","8.81986","0.00023","4.90794","0.00012","90","","90","","90","","753.07","0.05","","","","","","","","","","","","3","P b a m","","","","","","- O5 P V -","- O10 P2 V2 -","- O40 P8 V8 -","4","0.5","","Richard Harlow; Zhigang Li; Normal Herron; Harold Horowitz; Eugene McCarron; James Richardson; Brian Toby","The Crystal Structure of the Gamma Phase of Vanadyl Phosphate, gamma-VOPO4, Solved and Refined Using Both Synchrotron and Neutron Powder Diffraction Data","unpublished","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101102","7.7878","0.0007","8.6616","0.0006","10.9133","0.001","97.841","0.007","106.91","0.007","94.22","0.006","692.74","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H13 Cl2 N5 O4 Zn -","- C8 H13 Cl2 N5 O4 Zn -","- C16 H26 Cl4 N10 O8 Zn2 -","2","1","","Ángel García Raso; Juan J. Fiol; Ferran Bádenas; Rosa Cons; Ángel Terrón; Miguel Quirós","Synthesis and structural studies of metal-acyclovir (ACV) complexes: [Ni(or Co)(ACV)~2~(H~2~O)~4~]Cl~2~.2ACV, [Zn(ACV)Cl~2~(H~2~O)], [Cd(ACV)Cl~2~].H~2~O and [{Hg(ACV)Cl~2~}~x~]. Recognition of acyclovir by Ni-ACV","Journal of the Chemical Society, Dalton Transactions","1999","","","167","173","","","","","","","","0.0327","","","0.0873","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101103","12.6672","0.0008","15.134","0.0012","12.8273","0.0011","90","","111.077","0.005","90","","2294.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 Cl2 N20 Ni O16 -","- C32 H52 Cl2 N20 Ni O16 -","- C64 H104 Cl4 N40 Ni2 O32 -","2","0.5","","Ángel García Raso; Juan J. Fiol; Ferran Bádenas; Rosa Cons; Ángel Terrón; Miguel Quirós","Synthesis and structural studies of metal-acyclovir (ACV) complexes: [Ni(or Co)(ACV)~2~(H~2~O)~4~]Cl~2~.2ACV, [Zn(ACV)Cl~2~(H~2~O)], [Cd(ACV)Cl~2~].H~2~O and [{Hg(ACV)Cl~2~}~x~]. Recognition of acyclovir by Ni-ACV","Journal of the Chemical Society, Dalton Transactions","1999","","","167","173","","","","","","","","0.0383","","","0.0973","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101105","7.152","0.001","8.83","0.001","13.783","0.001","82.024","0.001","86.155","0.001","70.9","0.001","814.3","0.2","293","","","","","","","","","","","5","P 1","P 1","1","","","","- C20 H42 N8 Ni O22 -","- C20 H42 N8 Ni O22 -","- C20 H42 N8 Ni O22 -","1","1","","Francisca Barrios; Juan M. Salas; M. Purificación Sánchez; Miguel Quirós; René Faure","X-ray crystal structure of tetraaquabis(xanthosinato) nickel(II) hexahydrate","Journal of Chemical Crystallography","1999","29","","1009","1013","10.1023/A:1009568616134","","","","","","","0.0309","","","0.0808","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101106","7.3518","0.0008","21.308","0.002","11.0976","0.0012","90","","99.245","0.008","90","","1715.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N6 O6 Zn -","- C14 H16 N6 O6 Zn -","- C56 H64 N24 O24 Zn4 -","4","1","","Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis, spectral and XRD studies on three O-nitrito-complexes with new N,N,O-tridentate Schiff bases derived from 6-amino-5-formyl-1,3-dimethyluracil and semicarbazide, acetylhydrazine and benzoylhydrazine","Polyhedron","1999","18","","351","360","10.1016/S0277-5387(98)00303-9","","","","","","","0.0621","","","0.1572","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101107","8.749","0.001","14.213","0.001","21.2","0.002","90","","90","","90","","2636.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Cl2 Cu N8 O15 -","- C16 H22 Cl2 Cu N8 O15 -","- C64 H88 Cl8 Cu4 N32 O60 -","4","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Crystal structure of the Λ-[4M] enantiomer of cis-diaqua-bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-N^5^,O^4^) copper(II) perchlorate monohydrate","Journal of Chemical Crystallography","1999","29","5","571","574","10.1023/A:1009548803103","","","","","","","0.0471","","","0.1263","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101108","23.522","0.003","13.6089","0.001","22.327","0.002","90","","112.478","0.006","90","","6604","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H54 Cl2 Cu2 N12 O14 -","- C70 H54 Cl2 Cu2 N12 O14 -","- C280 H216 Cl8 Cu8 N48 O56 -","4","0.5","","José M. Seco; Miguel Quirós; María J. González Garmendia","Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand","Polyhedron","2000","19","","1005","1013","10.1016/S0277-5387(00)00356-9","","","","","","","0.0496","","","0.1402","","","","","","","","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1101109","25.197","0.002","14.495","0.002","29.659","0.003","90","","115.55","0.01","90","","9773.1","1.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 Cu2 F12 N8 O4.5 P2 -","- C44 H39 Cu2 F12 N8 O4.5 P2 -","- C352 H312 Cu16 F96 N64 O36 P16 -","8","2","","José M. Seco; Miguel Quirós; María J. González Garmendia","Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand","Polyhedron","2000","19","","1005","1013","10.1016/S0277-5387(00)00356-9","","","","","","","0.1003","","","0.218","","","","","","","","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1101110","54.836","0.008","15.923","0.001","12.299","0.001","90","","94.382","0.009","90","","10707.5","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cu F12 N6 P2 -","- C36 H24 Cu F12 N6 P2 -","- C432 H288 Cu12 F144 N72 P24 -","12","1.5","","José M. Seco; Miguel Quirós; María J. González Garmendia","Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand","Polyhedron","2000","19","","1005","1013","10.1016/S0277-5387(00)00356-9","","","","","","","0.0883","","","0.2557","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101111","10.3328","0.0003","6.0043","0.0002","4.6977","0.0002","90","","90","","90","","291.45","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","Lithium Iron Phosphate(V)","","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","MAUD software","","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:21",""
"1101113","4.827522","0.000018","4.827522","","24.40002","0.00013","90","","90","","120","","492.458","","295","","295","","","","","","","","","5","R -3 :H","-R 3","148","Iron Ammonium Sulfate","","","- Fe H4 N O8 S2 -","- Fe H4.948 N1.237 O8 S2 -","- Fe3 H14.844 N3.711 O24 S6 -","3","0.166667","","Richard L. Harlow; John M. Novak","","Unpublished","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","208365","2020-10-21","18:00:00",""
"1101114","12.28","0.002","27.44","0.002","15.13","0.002","90","","100.82","0.02","90","","5007.6","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Cu2 I2 N4 -","- C56 H48 Cu2 I2 N4 -","- C224 H192 Cu8 I8 N16 -","4","1","","Kia, Reza; Mirkhani, Valiollah; Harkema, Sybolt; van Hummel, Gerrit J.","Synthesis and characterization of the 1:1 adducts of copper(I) halides with bidentate N,N'-bis(benzophenone)-1,2-diiminoethane Schiff base: Crystal structures of [Cu(bz2en)2][CuX2] (X = Br, I) complexes","Inorganica Chimica Acta","2007","360","10","3369","3375","10.5517/ccngnf5","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101115","8.128","0.003","8.824","0.003","9.993","0.003","115.05","0.02","101.83","0.03","91.75","0.02","630","0.4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C7 H13 Ag N4 O6 S -","- C7 H8 Ag N4 O6 S -","- C14 H16 Ag2 N8 O12 S2 -","2","1","","Juan M. Salas; M. Angustias Romero; Abderrahman Rahmani; Miguel Quirós","Dimeric complexes generated by the reaction of 5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine and silver sulphate: X-ray evidence of the coexistence of two different dimers in the same crystal","Anales de Quimica, International Edition","1996","92","","249","254","","","","","","","","0.045","","","0.047","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101116","5.3361","0.0001","9.8298","0.0002","7.3271","0.0001","90","","109.911","0.001","90","","361.4","0.1","","","","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","Calcium Pentafluoroaluminate","","","- Al Ca F5 -","- Al Ca F5 -","- Al4 Ca4 F20 -","4","1","","Body, M.; Silly, G.; Legein, C.; Buzaré, J.-Y.; Calvayrac, F.; Blaha, P.","Structural investigations of β-CaAlF5 by coupling powder XRD, NMR, EPR and spectroscopic parameter calculations","Journal of Solid State Chemistry","2005","178","12","3655","3643","10.1016/j.jssc.2005.09.021","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1101117","8.5689","0.0004","18.5279","0.0009","8.6209","0.0003","90","","106.894","0.003","90","","1309.62","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cd N10 O10 -","- C20 H24 Cd N10 O10 -","- C40 H48 Cd2 N20 O20 -","2","0.5","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis and structural studies on metal nitrate complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine: crystal structure of two new cobalt(II) and copper(II) three-dimensionally hydrogen-bonded complexes and a cadmium(II) complex with unusual geometry","Inorganica Chimica Acta","1998","277","","103","110","10.1016/S0020-1693(97)06134-3","","","","","","","0.0299","","","0.0795","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101118","14.4479","0.0009","22.195","0.002","17.12","0.0011","90","","97.126","0.005","90","","5447.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H55 Cd Cl2 N18 O18.5 -","- C42 H50 Cd Cl2 N18 O18.5 -","- C168 H200 Cd4 Cl8 N72 O74 -","4","1","","Nuria A. Illán-Cabeza; Rosario A. Vilaplana; Ysmael Álvarez; Khalid Akdi; Sanae Kamah; Francisco Hueso-Ureña; Miguel Quirós; Francisco González-Vílchez; Miguel N. Moreno-Carretero","Synthesis, structure and biological activity of a new and efficient Cd(II)-uracil derivative complex system for cleavage of DNA","JBIC Journal of Biological Inorganic Chemistry","2005","10","8","924","934","10.1007/s00775-005-0045-x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101119","7.859","0.001","11.811","0.002","12.986","0.002","73.69","0.01","84.53","0.01","85.8","0.01","1150.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 N12 O10 Pt -","- C12 H20 N12 O10 Pt -","- C24 H40 N24 O20 Pt2 -","2","1","","Jorge A. R. Navarro; M. Angustias Romero; Juan M. Salas; Miguel Quirós","Kinetically and thermodynamically controlled formation of homo- and heterobinuclear platinum(II) and palladium(II) complexes supported by bidentate triazolopyrimidine ligands","Inorganic Chemistry","1997","36","","3277","3283","10.1021/ic9609214","","","","","","","0.0502","","","0.1372","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101122","8.746","0.001","13.584","0.002","10.997","0.001","90","","94.89","0.01","90","","1301.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Co N10 O14 -","- C16 H24 Co N10 O14 -","- C32 H48 Co2 N20 O28 -","2","0.5","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis and structural studies on metal nitrate complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine: crystal structure of two new cobalt(II) and copper(II) three-dimensionally hydrogen-bonded complexes and a cadmium(II) complex with unusual geometry","Inorganica Chimica Acta","1998","277","","103","110","10.1016/S0020-1693(97)06134-3","","","","","","","0.0573","","","0.1135","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101123","14.045","0.001","11.749","0.0007","19.701","0.002","90","","90","","90","","3251","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Cl2 Cu N4 O4 -","- C10 H16 Cl2 Cu N4 O4 -","- C80 H128 Cl16 Cu8 N32 O32 -","8","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex.","Polyhedron","1998","17","","3409","3418","10.1016/S0277-5387(98)00122-3","","","","","","","0.0415","","","0.0967","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101124","8.9929","0.0007","14.0574","0.0009","11.9242","0.0007","90","","98.124","0.005","90","","1492.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 Cu N10 O14 -","- C20 H32 Cu N10 O14 -","- C40 H64 Cu2 N20 O28 -","2","0.5","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis and structural studies on metal nitrate complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine: crystal structure of two new cobalt(II) and copper(II) three-dimensionally hydrogen-bonded complexes and a cadmium(II) complex with unusual geometry","Inorganica Chimica Acta","1998","277","","103","110","10.1016/S0020-1693(97)06134-3","","","","","","","0.0389","","","0.1007","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101125","8.7639","0.0012","13.7932","0.0008","14.7922","0.001","90","","116.016","0.01","90","","1606.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cl2 Cu N8 O16 -","- C20 H32 Cl2 Cu N8 O16 -","- C40 H64 Cl4 Cu2 N16 O32 -","2","0.5","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis and structural studies on three-dimensionally hydrogen-bonded metal perchlorate complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of diaqua-bis(1,3,6,7-tetramethyl- pteridine-2,4(1H,3H)-dione-O^4^,N^5^) copper(II) perchlorate dihydrate.","Inorganica Chimica Acta","1998","268","","77","83","10.1016/S0020-1693(97)05722-8","","","","","","","0.0584","","","0.1711","","","","","","","","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1101126","10.679","0.002","5.814","0.001","13.794","0.003","90","","97.31","0.03","90","","849.5","0.4","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N5 O3 -","- C6 H9 N5 O3 -","- C24 H36 N20 O12 -","4","1","","M. Purificación Sánchez; M. Angustias Romero; Juan M. Salas; Diego J. Cárdenas; José Molina; Miguel Quirós","Molecular orbital study of 8-azaxanthine derivatives and crystal structure of 1,3-dimethyl-8-azaxanthine monohydrate","Journal of Molecular Structure","1995","344","","257","264","10.1016/0022-2860(94)08436-L","","","","","","","0.081","","","0.035","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101127","8.0064","0.0006","9.3736","0.0006","10.6279","0.0005","71.414","0.007","81.536","0.006","70.904","0.008","713.59","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cl2 Hg N4 O2 -","- C10 H12 Cl2 Hg N4 O2 -","- C20 H24 Cl4 Hg2 N8 O4 -","2","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex.","Polyhedron","1998","17","","3409","3418","10.1016/S0277-5387(98)00122-3","","","","","","","0.0436","","","0.1182","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101128","13.315","0.002","8.539","0.002","13.932","0.002","90","","108.728","0.009","90","","1500.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Cl Hg N5 O5 -","- C10 H12 Cl Hg N5 O5 -","- C40 H48 Cl4 Hg4 N20 O20 -","4","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex.","Polyhedron","1998","17","","3409","3418","10.1016/S0277-5387(98)00122-3","","","","","","","0.0583","","","0.1418","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101129","7.2294","0.0007","11.54","0.001","14.67","0.002","90","","90","","90","","1223.9","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C48 H56 N8 O12 -","4","1","","Raj P. Sharma; Paramjit Singh; Kuldip K. Bhasin; Miguel Quirós; Juan M. Salas; J. F. Hansen","Synthesis, spectroscopic and X-ray structural study of 4-p-methoxy-phenylimino-3-hydroxyimino-2-pentanone","Journal of Chemical Cristallography","1996","26","6","407","412","10.1007/BF01665820","","","","","","","0.051","","","0.092","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101130","15.2488","0.0012","15.238","0.0015","21.563","0.002","90","","90","","90","","5010.5","0.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Au Br4 N8 Na O4 -","- C16 H16 Au Br4 N8 Na O4 -","- C128 H128 Au8 Br32 N64 Na8 O32 -","8","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Gold(III)-pteridine compounds: synthesis, spectral, and X-ray diffraction stuides on new adducts between sodium tetrabromoaurate(III) and lumazine derivatives","Journal of Chemical Cristallography","1998","28","7","565","570","10.1023/A:1023252324268","","","","","","","0.0533","","","0.1001","","","","","","","","","","","has coordinates","174850","2020-10-21","18:00:00",""
"1101131","9.5273","0.001","9.972","0.002","11.249","0.002","94.794","0.013","100.304","0.01","91.354","0.011","1047","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H30 F N3 O9 -","- C17 H30 F N3 O9 -","- C34 H60 F2 N6 O18 -","2","1","","Iztok Turel; Peter Bukovec; Miguel Quirós","Crystal structure of ciprofloxacin hexahydrate and its characterization","International Journal of Pharmaceutics","1997","152","","59","65","10.1016/S0378-5173(97)04913-2","","","","","","","0.0455","","","0.1011","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101133","8.148","0.003","9.104","0.002","11.854","0.003","105.37","0.01","95.31","0.02","115.17","0.01","745.8","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H38 N8 Ni O18 -","- C18 H38 N8 Ni O18 -","- C18 H38 N8 Ni O18 -","1","0.5","","Juan M. Salas; Miguel Quirós; M. Angustias Romero; M. Purificación Sánchez; Miguel A. Salas; Rosario Vilaplana","Metal complexes of theophylline-7-acetic acid. Crystal structure of a nickel(II) compound containing non-coordinated theophylline-7-acetate ion","Polyhedron","1995","14","","611","616","10.1016/0277-5387(94)00279-N","","","","","","","0.045","","","0.042","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101134","11.076","0.001","11.045","0.002","24.728","0.002","91.19","0.01","94.5","0.01","108.67","0.01","2853.7","0.6","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C15 H31.75 Cl0.88 K0.88 N3 O8.38 Pd3 S3 -","- C15 H27 Cl0.875 K0.875 N3 O8.375 Pd3 S3 -","- C60 H108 Cl3.5 K3.5 N12 O33.5 Pd12 S12 -","4","4","","G. Cervantes; V. Moreno; E. Molins; Miguel Quirós","Pd(II) and Pt(II) D-penicillamine complexes. Crystal structure of a tridentate D-penicillamine cluster of Pd(II)","Polyhedron","1998","17","","3343","3350","10.1016/S0277-5387(98)00114-4","","","","","","","0.0585","","","0.1454","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101135","13.752","0.001","12.5658","0.0008","19.215","0.001","90","","118.08","0.01","90","","2929.5","0.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N14 O9 Pd Pt -","- C22 H26 N14 O9 Pd Pt -","- C88 H104 N56 O36 Pd4 Pt4 -","4","1","","Jorge A. R. Navarro; M. Angustias Romero; Juan M. Salas; Miguel Quirós","Kinetically and thermodynamically controlled formation of homo- and heterobinuclear platinum(II) and palladium(II) complexes supported by bidentate triazolopyrimidine ligands","Inorganic Chemistry","1997","36","","3277","3283","10.1021/ic9609214","","","","","","","0.03","","","0.04","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"1101136","16.778","0.003","18.433","0.004","13.403","0.004","90","","90","","90","","4145","2","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H36 Ag4 N16 O13 S3 -","- C28 H36 Ag4 N16 O13 S3 -","- C112 H144 Ag16 N64 O52 S12 -","4","0.5","","Juan M. Salas; M. Angustias Romero; Abderrahman Rahmani; Miguel Quirós","Dimeric complexes generated by the reaction of 5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine and silver sulphate: X-ray evidence of the coexistence of two different dimers in the same crystal","Anales de Quimica, International Edition","1996","92","","249","254","","","","","","","","0.064","","","0.082","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101137","14.207","0.003","15.187","0.003","17.165","0.003","90","","90","","90","","3703.5","1.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H16 N8 O3 Pt S -","- C14 H16 N8 O3 Pt S -","- C112 H128 N64 O24 Pt8 S8 -","8","1","","Navarro, Jorge A. R.; Romero, M. Angustias; Salas, Juan M.; Quirós, Miguel; El Bahraoui, Jaouad; Molina, José","Binuclear Platinum(II) Triazolopyrimidine Bridged Complexes. Preparation, Crystal Structure, NMR Spectroscopy, and ab Initio MO Investigation on the Bonding Nature of the Pt(II)···Pt(II) Interaction in the Model Compound {Pt2[NHCHN(C(CH2)(CH3))]4}}","Inorganic Chemistry","1996","35","26","7829","7835","10.1021/ic960496e","","","","","","","0.0933","","","0.1152","","","","","","","","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1101138","8.746","0.0008","13.874","0.001","10.678","0.001","90","","92.64","0.01","90","","1294.4","0.7","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cu N10 O14 -","- C16 H24 Cu N10 O14 -","- C32 H48 Cu2 N20 O28 -","2","0.5","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","A new three-dimensional, hydrogen-bonded metal-pteridine complex: synthesis, characterization and crystal structure of diaqua bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-O^4^,N^5^) copper(II) nitrate dihydrate","Polyhedron","1997","16","","607","612","10.1016/0277-5387(96)00318-X","","","","","","","0.047","","","0.088","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101141","13.362","0.002","13.566","0.003","22.532","0.003","90","","90","","90","","4084.4","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8 Cu N3 O5.5 -","- C5 H8 Cu N3 O5.5 -","- C80 H128 Cu16 N48 O88 -","16","4","","Francisco Hueso-Ureña; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas; René Faure; Gerardo Álvarez de Cienfuegos","Spectral and magnetic properties, and biological activity of several coordination compounds of dinegative isoorotato and 2-thioisoorotato ligands. Crystal structure of the tetrameric complex [Cu~4~(isoorotato^2-^)~4~(NH~3~)~4(H~2~O)~2~].4H~2~O","Inorganica Chimica Acta","1996","241","","61","69","10.1016/0020-1693(95)04741-7","","","","","","","0.0829","","","0.2212","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101142","6.3589","0.0004","10.7795","0.0006","10.3836","0.0006","90","","90.019","0.001","90","","711.75","0.07","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F2 Li5 O8 P2 V -","- F2 Li5 O8 P2 V -","- F8 Li20 O32 P8 V4 -","4","1","","Yin, S.-C.; Herle, P. Subramanya; Higgins, A.; Taylor, N. J.; Makimura, Y.; Nazar, L. F.","Dimensional Reduction: Synthesis and Structure of Layered Li~5~M(PO~4~)~2~F~2~ (M = V, Cr)","Chemistry of Materials","2006","18","7","1745","1752","10.1021/cm0513738","","","0.71073","MoKα","","0.0422","0.0375","","","0.0732","0.0741","","","","","","1.683","","","","has coordinates","178242","2020-10-21","18:00:00",""
"1101143","7.721","0.001","25.495","0.003","8.566","0.001","90","","96.12","0.01","90","","1676.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Fe N S -","- C20 H17 Fe N S -","- C80 H68 Fe4 N4 S4 -","4","1","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101144","29.7553","0.0015","18.0498","0.0009","12.2258","0.0006","90","","111.143","0.001","90","","6124.2","0.5","183","2","183","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- H64 Mo12 Ni4 O66 -","- Mo12 Ni4 O66 -","- Mo48 Ni16 O264 -","4","0.5","","Achim Müller; Christian Beugholt; Paul Kögerler; Hartmut Bögge; Sergey Bud'ko; Marshall Luban","[MoV12O30(μ2-OH)10H2{NiII(H2O)3}4], a Highly Symmetrical ε-Keggin Unit Capped with Four NiII Centers: Synthesis and Magnetism","Inorganic Chemistry","2000","39","","5176","5177","10.1021/ic0005285","","","","","","","","","","","","","","","","","","","","","has coordinates","201170","2020-10-21","18:00:00",""
"1101145","12.8081","0.0004","22.7793","0.0008","21.5383","0.0006","90","","93.278","0.001","90","","6273.7","0.3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H74 Ga N27 O40 -","- C36 H74 Ga N27 O40 -","- C144 H296 Ga4 N108 O160 -","4","1","","Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes","Inorganic Chemistry","2005","44","12","4133","4135","10.1021/ic0502271","","","","","","","","","","","","","","","","","","","","","has coordinates","209435","2020-10-21","18:00:00",""
"1101146","19.9915","0.0002","19.9915","0.0002","18.5028","0.0004","90","","90","","120","","6404.1","0.2","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ga13 H96 N15 O105 -","- Ga13 H72 N15 O105 -","- Ga39 H216 N45 O315 -","3","0.166667","","Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes","Inorganic Chemistry","2005","44","12","4133","4135","10.1021/ic0502271","","","","","","","","","","","","","","","","","","","","","has coordinates","209435","2020-10-21","18:00:00",""
"1101147","18.3313","0.0006","21.136","0.0007","23.2894","0.0008","109.424","0.001","101.987","0.001","109.635","0.001","7478.8","0.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C123 H311 Ga32 N81 O193 -","- C123 H130 Ga32 N81 O193.12 -","- C123 H130 Ga32 N81 O193.12 -","1","0.5","","Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes","Inorganic Chemistry","2005","44","12","4133","4135","10.1021/ic0502271","","","","","","","","","","","","","","","","","","","","","has coordinates","209435","2020-10-21","18:00:00",""
"1101148","10.68004","0.00011","11.28574","0.00011","6.48521","0.00006","90","","90","","90","","781.68","0.02","295","","295","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B3 Ca4 Na O9 -","- B3 Ca4 Na O9 -","- B12 Ca16 Na4 O36 -","4","0.5","","Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun","Structure Determination and Relative Properties of Novel Non-centrosymmetric Borates MM'~4~(BO~3~)~3~ (M=Na, M'=Ca and M=K, M'=Ca, Sr)","Inorganic Chemistry","2006","45","","3042","3047","10.1021/ic051494+","","","","","","","","","","","","","","","","","","","","","has coordinates","208232","2020-10-21","18:00:00",""
"1101149","10.63455","0.0001","11.51705","0.00011","6.51942","0.00006","90","","90","","90","","798.49","0.02","295","","295","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B3 Ca4 K O9 -","- B3 Ca4 K O9 -","- B12 Ca16 K4 O36 -","4","0.5","","Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun","Structure Determination and Relative Properties of Novel Noncentrosymmetric Borates MM'~4~(BO~3~)~3~ (M = Na, M' = Ca and M = K, M' = Ca, Sr)","Inorganic Chemistry","2006","45","","3042","3047","10.1021/ic051494+","powder diffraction","","","","","","","","","","","","0.0693","","","","","","","","has coordinates","208232","2020-10-21","18:00:00",""
"1101150","11.03843","0.00008","11.98974","0.00009","6.88446","0.00005","90","","90","","90","","911.14","0.02","295","","295","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B3 K O9 Sr4 -","- B3 K O9 Sr4 -","- B12 K4 O36 Sr16 -","4","0.5","","Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun","Structure Determination and Relative Properties of Novel Noncentrosymmetric Borates MM'~4~(BO~3~)~3~ (M = Na, N = Ca and M = K, M' = Ca, Sr)","Inorganic Chemistry","2006","45","","3042","3047","10.1021/ic051494+","powder diffraction","","","","","","","","","","","","0.057","","","","","","","","has coordinates","208232","2020-10-21","18:00:00",""
"1101151","11.8465","0.0012","14.2914","0.0014","20.564","0.002","90","","96.596","0.002","90","","3458.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H88 Mn12 O42 -","- C44 H88 Mn12 O42 -","- C88 H176 Mn24 O84 -","2","0.5","","Yangguang Li; Wolfgang Wernsdorfer; Rodolphe Clerac; Ian J. Hewitt; Christopher E. Anson; Annie K. Powell","New Valence-Sandwich [MnII4MnIII4MnII4] Aggregate Showing Single-Molecule Magnet Behavior","Inorganic Chemistry","2006","45","6","2376","2378","10.1021/ic051819m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1101152","7.0989","0.0007","7.0989","0.0007","4.1353","0.0005","90","","90","","90","","208.4","0.04","293","2","293","2","","","","","","","","2","P 4/m b m","-P 4 2ab","127","Calcium tetraboride","Calcium tetraboride","","- B4 Ca -","- B3.99 Ca -","- B15.96 Ca4 -","4","0.25","","Schmitt, Ruth; Blaschkowski, Björn; Eichele, Klaus; Meyer, H.-Jürgen","Calcium Tetraboride ‒ Does It Exist? Synthesis and Properties of a Carbon-Doped Calcium Tetraboride That Is Isotypic with the Known Rare Earth Tetraborides","Inorganic Chemistry","2006","45","7","3067","3073","10.1021/ic0518430","","","0.71073","MoKα","","0.0264","0.0231","","","0.0572","0.0583","","","","","","1.114","","","","has coordinates","174546","2020-10-21","18:00:00",""
"1101153","11.7691","0.0015","11.7691","0.0015","12.112","0.002","90","","90","","120","","1452.8","0.4","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- B9 Co3 H10 Na5 O39 P6 -","- B9 Co3 Na5 O39 P6 -","- B18 Co6 Na10 O78 P12 -","2","0.166667","","Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren","Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni)","Inorganic Chemistry","2006","45","9","3588","3593","10.1021/ic051916f","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101154","11.9683","0.0005","11.9683","0.0005","12.1303","0.0006","90","","90","","120","","1504.76","0.12","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- B9 H10 Mn3 Na5 O39 P6 -","- B9 Mn3 Na5 O39 P6 -","- B18 Mn6 Na10 O78 P12 -","2","0.166667","","Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren","Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni)","Inorganic Chemistry","2006","45","9","3588","3593","10.1021/ic051916f","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101155","11.7171","0.0005","11.7171","0.0005","12.0759","0.0007","90","","90","","120","","1435.79","0.12","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- B9 H10 Na5 Ni3 O39 P6 -","- B9 Na5 Ni3 O39 P6 -","- B18 Na10 Ni6 O78 P12 -","2","0.166667","","Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren","Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni)","Inorganic Chemistry","2006","45","9","3588","3593","10.1021/ic051916f","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101163","6.1944","0.0012","6.3315","0.0013","13.804","0.003","85.34","0.03","85.18","0.03","89.82","0.03","537.67","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba F Sb Se2 -","- Ba F Sb Se2 -","- Ba4 F4 Sb4 Se8 -","4","2","","Kabbour, Houria; Cario, Laurent","Ae~2~Sb~2~X~4~F~2~ (Ae = Sr, Ba): New Members of the Homologous Series Ae~2~M~1+n~X~3+n~F~2~ Designed from Rock Salt and Fluorite 2D Building Blocks","Inorganic Chemistry","2006","45","","2713","2717","10.1021/ic051969x","","","","","","","","","","","","","","","","","","","","","has coordinates","174547","2020-10-21","18:00:00",""
"1101164","4.19264","0.0001","4.19264","0.0001","14.2145","0.0004","90","","90","","90","","249.866","0.011","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","?","- F2 Sb2 Se4 Sr2 -","- F2 Sb2 Se4 Sr2 -","","","","Kabbour, Houria; Cario, Laurent","Ae~2~Sb~2~X~4~F~2~ (Ae = Sr, Ba): New Members of the Homologous Series Ae~2~M~1+n~X~3+n~F~2~ Designed from Rock Salt and Fluorite 2D Building Blocks","Inorganic Chemistry","2006","45","","2713","2717","10.1021/ic051969x","powder diffraction","","","","","","","","","","","","4.792","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101168","7.932","0.004","7.932","","7.932","","90","","90","","90","","499.05","","","","","","","","","","","","","2","F d -3 m","","","eta- Al-oxid_fit2gnn","","","- Al2 O3 -","- Al17.36 O32 -","- Al17.36 O32 -","1","","","","St210499->St100gnn","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1101169","44.567","0.01","25.766","0.007","20.626","0.005","90","","104.526","0.014","90","","22928","9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(Al13)2(V2W4)3","","","- Al13 O82.1 V3 W5.98 -","- Al13 O82.08 V3 W5.977 -","- Al104 O656.64 V24 W47.816 -","8","1","","Jung-Ho Son; Young-Uk Kwon","Crystal Engineering through Face Interactions between Tetrahedral and Octahedral Building Blocks: Crystal Structure of [ε-Al13O4(OH)24(H2O)12]2[V2W4O19]3(OH)2.27H2O","Inorganic Chemistry","2004","43","","1929","1932","10.1021/ic035278h","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1101171","14.297","0.003","17.167","0.003","19.49","0.004","82.95","0.03","74.68","0.03","78.4","0.03","4507.3","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H50.5 Nd3 O85.75 P2 W17 -","- Nd3 O85.75 P2 W17 -","- Nd6 O171.5 P4 W34 -","2","1","","Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying","New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations","Inorganic Chemistry","2006","45","5","2055","2060","10.1021/ic0515857","","","0.71073","MoKα","","0.0917","0.0735","","","0.1848","0.1988","","","","","","1.041","","","","has coordinates","178225","2020-10-21","18:00:00",""
"1101172","12.904","0.003","12.951","0.003","25.514","0.005","88.24","0.03","76.11","0.03","64.66","0.03","3728.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H47 N4 Nd2 O74.5 P2 W17 -","- C20 H20 N4 Nd2 O74.5 P2 W17 -","- C40 H40 N8 Nd4 O149 P4 W34 -","2","1","","Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying","New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations","Inorganic Chemistry","2006","45","5","2055","2060","10.1021/ic0515857","","","0.71073","MoKα","","0.0611","0.0457","","","0.0892","0.095","","","","","","1.039","","","","has coordinates","178225","2020-10-21","18:00:00",""
"1101173","12.97","0.003","13.015","0.003","25.484","0.005","88.25","0.03","76.11","0.03","64.29","0.03","3749.1","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H47 La2 N4 O74.5 P2 W17 -","- C20 H20 La2 N4 O74.5 P2 W17 -","- C40 H40 La4 N8 O149 P4 W34 -","2","1","","Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying","New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations","Inorganic Chemistry","2006","45","5","2055","2060","10.1021/ic0515857","","","0.71073","MoKα","","0.0656","0.05","","","0.1103","0.1173","","","","","","1.033","","","","has coordinates","178225","2020-10-21","18:00:00",""
"1101174","12.875","0.003","12.914","0.003","25.503","0.005","88.24","0.03","76.29","0.03","64.97","0.03","3721.1","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H48 Eu2 N4 O75 P2 W17 -","- C20 H24 Eu2 N4 O75 P2 W17 -","- C40 H48 Eu4 N8 O150 P4 W34 -","2","1","","Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying","New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations","Inorganic Chemistry","2006","45","5","2055","2060","10.1021/ic0515857","","","0.71073","MoKα","","0.0621","0.0452","","","0.0862","0.0921","","","","","","1.031","","","","has coordinates","178225","2020-10-21","18:00:00",""
"1101175","7.467","0.0005","13.8824","0.0009","9.3289","0.0006","90","","90","","90","","967.03","0.11","90","2","90","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C0.5 H2 O2.5 P0.5 V0.5 -","- C0.5 H2 O2.5 P0.5 V0.5 -","- C8 H32 O40 P8 V8 -","16","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101176","7.4265","0.0013","9.3477","0.0016","16.793","0.003","90","","90","","90","","1165.8","0.3","90","2","90","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C0.75 H3 O2.75 P0.5 V0.5 -","- C0.75 H1.5 O2.75 P0.5 V0.5 -","- C12 H24 O44 P8 V8 -","16","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101177","7.4362","0.0005","19.1491","0.0012","9.3446","0.0006","90","","90","","90","","1330.64","0.15","90","2","90","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C H4 O3 P0.5 V0.5 -","- C H2.5 O3 P0.5 V0.5 -","- C16 H40 O48 P8 V8 -","16","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101178","7.433","0.0004","9.3673","0.0005","21.8357","0.0011","90","","90","","90","","1520.36","0.14","90","2","90","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C1.25 H4.5 O3 P0.5 V0.5 -","- C1.25 H3 O3 P0.5 V0.5 -","- C20 H48 O48 P8 V8 -","16","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101179","14.0943","0.0012","5.2746","0.0004","10.166","0.0008","90","","94.606","0.002","90","","753.32","0.1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 O6 P V -","- C3 H10 O6 P V -","- C12 H40 O24 P4 V4 -","4","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101180","8.9297","0.0003","8.9297","0.0003","34.847","0.002","90","","90","","90","","2778.6","0.2","90","2","90","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C4.5 H10 O3.5 P V0.5 -","- C4.5 H10 O3.5 P V0.5 -","- C72 H160 O56 P16 V8 -","16","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101181","14.5794","0.0011","10.2424","0.0008","18.7815","0.0014","90","","98.837","0.001","90","","2771.3","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H17.5 N O11.75 P2 V2 -","- C4 H12 N O11.75 P2 V2 -","- C32 H96 N8 O94 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101182","15.5527","0.0007","10.0841","0.0005","18.7813","0.0008","90","","104.423","0.001","90","","2852.7","0.2","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4.5 H16 N O10.5 P2 V2 -","- C4.5 H13 N O10.5 P2 V2 -","- C36 H104 N8 O84 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101183","15.2003","0.0011","10.2122","0.0007","18.5903","0.0013","90","","103.53","0.001","90","","2805.7","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H16.5 N O10.25 P2 V2 -","- C5 H14 N O10.25 P2 V2 -","- C40 H112 N8 O82 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101184","15.712","0.001","10.03","0.001","18.656","0.002","90","","103.328","0.002","90","","2861","0.5","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5.5 H16 N O9.5 P2 V2 -","- C5.5 H15 N O9.5 P2 V2 -","- C44 H120 N8 O76 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1101185","15.6403","0.0011","10.2112","0.0007","18.6795","0.0014","90","","105.484","0.001","90","","2875","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H16.5 N O9.25 P2 V2 -","- C6 H16 N O9.25 P2 V2 -","- C48 H128 N8 O74 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101186","15.822","0.0015","10.0614","0.0009","18.6103","0.0017","90","","104.292","0.002","90","","2870.9","0.5","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6.5 H17 N O9 P2 V2 -","- C6.5 H17 N O9 P2 V2 -","- C52 H136 N8 O72 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101187","15.2345","0.001","10.1817","0.0006","18.6968","0.0012","90","","103.524","0.001","90","","2819.7","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4.5 H12.75 N O9 P2 V2 -","- C4.5 H7 N O9 P2 V2 -","- C36 H56 N8 O72 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101188","15.003","0.003","10.126","0.002","18.604","0.004","90","","101","0.03","90","","2774.3","1","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 N O10.5 P2 V2 -","- C4 H10 N O10.5 P2 V2 -","- C32 H80 N8 O84 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101189","15.0877","0.0009","10.2027","0.0006","18.6376","0.0011","90","","102.521","0.001","90","","2800.7","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H15 N O9.5 P2 V2 -","- C5 H14 N O9.5 P2 V2 -","- C40 H112 N8 O76 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101190","15.4228","0.0009","10.2047","0.0006","18.7078","0.0011","90","","103.835","0.001","90","","2858.9","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H17 N O9 P2 V2 -","- C6 H17 N O9 P2 V2 -","- C48 H136 N8 O72 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1101191","15.2768","0.0008","10.2216","0.0006","18.6279","0.001","90","","103.252","0.001","90","","2831.4","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H19.5 N O9 P2 V2 -","- C7 H19.5 N O9 P2 V2 -","- C56 H156 N8 O72 P16 V16 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1101192","30.947","0.002","10.6168","0.0008","18.604","0.0014","90","","90","","90","","6112.5","0.8","90","2","90","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C12 H32.75 N2 O18.75 P4 V4 -","- C12 H32 N2 O18.75 P4 V4 -","- C96 H256 N16 O150 P32 V32 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","175229","2020-10-21","18:00:00",""
"1101193","12.2895","0.0015","13.4657","0.0016","6.0846","0.0007","90","","103.401","0.002","90","","979.5","0.2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N O7 P2 V -","- C4 H11 N O7 P2 V -","- C16 H44 N4 O28 P8 V4 -","4","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101194","14.6046","0.001","13.4811","0.0009","6.0678","0.0004","90","","98.73","0.001","90","","1180.82","0.14","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H15 N O7 P2 V -","- C6 H15 N O7 P2 V -","- C24 H60 N4 O28 P8 V4 -","4","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101195","16.941","0.003","13.47","0.002","6.0553","0.001","90","","95.026","0.004","90","","1376.5","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H19 N O7 P2 V -","- C8 H19 N O7 P2 V -","- C32 H76 N4 O28 P8 V4 -","4","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101196","16.3248","0.0015","13.3361","0.0012","10.1019","0.0009","90","","89.994","0.002","90","","2199.3","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H24 N2 O15 P4 V3 -","- C9 H24 N2 O15 P4 V3 -","- C36 H96 N8 O60 P16 V12 -","4","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101219","29.166","","38.497","","37.405","","90","","90","","90","","41998.1","","293","2","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C258 H579 N17 O156 Si4 Ti8 W40 -","- C247.01 N17 O156 Si4 Ti8 W40 -","- C988.04 N68 O624 Si16 Ti32 W160 -","4","1","","Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka","Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate","Inorganic Chemistry","2006","45","5","2347","2356","10.1021/ic052179q","","","0.71073","MoKα","","","0.0444","","","","0.1266","","","","","","1.006","","","","has coordinates","178223","2020-10-21","18:00:00",""
"1101220","33.2107","0.0003","35.4445","0.0004","85.0187","0.0008","90","","90","","90","","100079","1.7","296.1","","","","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C100 H212 K8 O128 S2 Si2 Ti4 W20 -","- C100 K8 O128 S2 Si2 Ti4 W20 -","- C1600 K128 O2048 S32 Si32 Ti64 W320 -","16","0.5","","Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka","Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate","Inorganic Chemistry","2006","45","5","2347","2356","10.1021/ic052179q","","","0.71069","MoKα","","","0.0546","","","","0.0538","","","","","","8.293","","","","has coordinates","178223","2020-10-21","18:00:00",""
"1101221","45.4319","0.0007","17.8884","0.0004","15.8179","0.0003","90","","96.328","0.0008","90","","12776.9","0.4","296.1","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C98 H200 K8 O126 Si2 Ti4 W20 -","- C98 K8 O126 Si2 Ti4 W20 -","- C196 K16 O252 Si4 Ti8 W40 -","2","0.25","","Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka","Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate","Inorganic Chemistry","2006","45","5","2347","2356","10.1021/ic052179q","","","0.71069","MoKα","","","0.0602","","","","0.0783","","","","","","11.43","","","","has coordinates","178223","2020-10-21","18:00:00",""
"1101222","16.7942","0.0001","16.7942","0.0001","16.7942","0.0001","90","","90","","90","","4736.72","0.05","293","2","293","2","","","","","","","","7","P -4 3 n","P -4n 2 3","218","MIL-74","","","- C24 H118 Al6 N16 O65 P12 Zn3 -","- C24 Al6.504 N16 O65 P12 Zn2.496 -","- C48 Al13.008 N32 O130 P24 Zn4.992 -","2","0.0833333","","Lionel Beitone; Clarisse Huguenard; Axel Gansmüller; Marc Henry; Francis Taulelle; Thierry Loiseau; Gérard Férey","Order-Disorder in the Super-Sodalite Zn3Al6(PO4)12, 4tren, 17H2O (MIL-74): A Combined XRD-NMR Assessment","Journal of the American Chemical Society","2003","125","","9102","9110","10.1021/ja0294818","","","0.71073","MoKα","","0.0532","0.0404","","","0.1014","0.1091","","","","","","1.176","","","","has coordinates","277831","2022-09-14","14:31:33",""
"1101223","46.324","0.005","42.268","0.004","41.896","0.004","90","","112.549","0.002","90","","75763","13","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- H1262 K43 Mo214 Na11 O1404 S12 V34 -","- K21 Mo213.6 O1002.72 S12 V30 -","- K42 Mo427.2 O2005.44 S24 V60 -","2","0.25","","Botar, Bogdan; Kögerler, Paul; Hill, Craig L.","A Nanoring‒Nanosphere Molecule, {Mo~214~V~30~}: Pushing the Boundaries of Controllable Inorganic Structural Organization at the Molecular Level","Journal of the American Chemical Society","2006","128","16","5336","5337","10.1021/ja060886s","","","0.71073","MoKα","","0.1577","0.0998","","","0.2731","0.3412","","","","","","1.044","","","","has coordinates","178224","2020-10-21","18:00:00",""
"1101224","7.3373","0.001","11.2668","0.0016","8.2369","0.0018","90","","97.387","0.003","90","","675.3","0.2","293","0.2","293","0.2","","","","","","","","4","I 1 2 1","I 2y","5","","Sodium molybdenum tellurium oxide","","- Mo3 Na2 O16 Te3 -","- Mo3 Na2 O16 Te3 -","- Mo6 Na4 O32 Te6 -","2","0.5","","Chi, Eun Ok; Ok, Kang Min; Porter, Yetta; Halasyamani, P. Shiv","Na~2~Te~3~Mo~3~O~16~: A New Molybdenum Tellurite with Second-Harmonic Generating and Pyroelectric Properties","Chemistry of Materials","2006","18","8","2070","2074","10.1021/cm052614e","","","0.71073","MoKα","","0.0337","0.0331","","","0.0886","0.0891","","","","","","1.081","","","","has coordinates","178244","2020-10-21","18:00:00",""
"1101226","61.594","0.009","15.968","0.002","16.59","0.002","90","","90","","90","","16317","4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H33 N12 O1.5 Zn -","- C48 H30 N12 O1.5 Zn -","- C768 H480 N192 O24 Zn16 -","16","1","","Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue","A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis","Inorganic Chemistry","2005","44","","3618","3625","10.1021/ic0500098","","","0.71073","MoKα","","0.136","0.0636","","","0.1402","0.1693","","","","","","0.795","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1200001","15.9407","0.0015","9.1737","0.001","19.015","0.002","90","","90","","90","","2780.7","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","8,9-Dimethoxy-10b-methyl-1-oxo-6,10b-dihydro-5H- thiazolo[2,3-a]isoquinolin-3-one","","- C14 H17 N O4 S -","- C14 H17 N O4 S -","- C112 H136 N8 O32 S8 -","8","1","","Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka","Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides","Acta Crystallographica, Section C","2001","57","12","1454","1456","10.1107/S0108270101016638","","","1.54178","CuKα","","0.0404","0.0327","","","0.0939","0.098","","","","","","1.064","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1200002","4.85642","","5.29074","","6.18724","","72.3626","","86.9965","","68.5473","","140.7","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Cu3 O8 P2 -","- Cu3 O8 P2 -","- Cu3 O8 P2 -","","","","","","","","","","","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1200003","6.85128","","8.11775","","9.15352","","90","","109.3","","90","","480.481","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cu2 O7 P2 -","- Cu8 O28 P8 -","- Cu8 O28 P8 -","","","","","","","","","","","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","198387","2020-10-21","18:00:00",""
"1200005","11.795","0.005","2.91","0.01","5.621","0.007","90","","103.79","","90","","187.4","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Aluminium oxide - $-theta","","- Al2 O3 -","- Al2 O3 -","- Al8 O12 -","4","0.5","","Husson, E; Repelin, Y","Structural studies of transition aluminas. Theta alumina","European Journal of Solid State Inorganic Chemistry","1996","33","","1223","1231","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1200006","9.794","0.005","8.906","0.005","5.319","0.003","90","","105.9","0.03","90","","446.2","","","","","","","","","","","","from Hessereau Hill, Oka, Quebec","6","C 1 2/c 1","-C 2yc","15","","Magnesium iron calcium aluminium silicate *","Augite","- Al0.7 Ca Fe0.2 Mg0.6 O6 Si1.5 -","- Al0.7 Ca Fe0.2 Mg0.6 O6 Si1.5 -","- Al2.8 Ca4 Fe0.8 Mg2.4 O24 Si6 -","4","0.5","","Peacor, D R","Refinement of the Crystal Structure of a Pyroxene of Formula M1 M2 (Si1.5 Al.5) O6","American Mineralogist","1967","52","","31","41","","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1200007","5.583","0.005","14.58","0.02","5.374","0.005","90","","90","","90","","437.4","","","","","","","","","","","","","4","I b m 2","I 2 -2b","46","","Calcium iron aluminium oxide (2/1.3/0.7/5)","","- Al0.72 Ca2 Fe1.28 O5 -","- Al0.72 Ca2 Fe1.28 O5 -","- Al2.88 Ca8 Fe5.12 O20 -","4","0.5","","Colville, A A; Geller, S","Crystal structures of Ca~2~ Fe~1.43~ Al~0.57~ O~5~ and Ca~2~ Fe~1.28~ Al~0.72~ O~5~","Acta Crystallographica B (24,1968-38,1982)","1972","28","","3196","3200","10.1107/S0567740872007733","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1200009","5.584","0.005","14.6","0.01","5.374","0.005","90","","90","","90","","438.1","","","","","","","","","","","","","4","I b m 2","I 2 -2b","46","","Calcium iron(III) aluminium oxide (2/1.5/0.5/5)","Brownmillerite","- Al Ca2 Fe O5 -","- Al Ca2 Fe O5 -","- Al4 Ca8 Fe4 O20 -","4","0.5","","Colville, A A; Geller, S","The Crystal Structure of Brownmillerite, Ca2 Fe Al O5","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2311","2315","10.1107/S056774087100579X","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1200011","7.456","0.006","10.08","0.01","5.776","0.005","90","","90","","90","","434.1","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Potassium sulfate - $-beta","","- K2 O4 S -","- K2 O4 S -","- K8 O16 S4 -","4","0.5","","Robinson, Mark T.","The crystal structures of β-K~2~SO~4~ and of β-K~2~PO~3~F","Journal of Physical Chemistry","1958","62","8","925","928","10.1021/j150566a007","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","301774","2025-08-18","12:44:28",""
"1200013","5.425","0.001","5.425","0.001","9.836","0.004","90","","90","","120","","250.7","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potasium nitrate - β","","- K N O3 -","- K N O3 -","- K3 N3 O9 -","3","0.0833333","","Nimmo, J. K.; Lucas, B. W.","The crystal structures of γ- and β-KNO~3~ and the α ←γ ←β phase transformations","Acta Crystallographica B (24,1968-38,1982)","1976","32","7","1968","1971","10.1107/S0567740876006894","","","","","","0.13","","","","","","","","","","","","","","","has coordinates","189448","2020-10-21","18:00:00",""
"1200014","4.812","0.001","4.812","0.001","16.02","0.003","90","","90","","120","","321.3","","","","","","","","","","","","from Oberdorf, Styria, Austria","4","R -3 :H","-R 3","148","","Calcium magnesium carbonate","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Beran, A.; Zemann, J.","Refinement and comparison of the crystal structures of a dolomite and of an Fe-rich ankerite","TMPM, Tschermaks Mineralogische und Petrographische Mitteilungen","1977","24","4","279","286","10.1007/BF01081130","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1200015","7.906","","7.906","","7.906","","90","","90","","90","","494.2","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Aluminium oxide - η","","- Al2.66 O4 -","- Al2.669 O4 -","- Al21.352 O32 -","8","0.0416667","","Shirasuka, K.; Yanagida, H.; Yamaguchi, G.","The Preparation of η Alumina and its Structure","Journal of the Ceramic Association, Japan","1976","84","976","610","613","10.2109/jcersj1950.84.976_610","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1200016","8.684","0.001","5.078","0.001","9.736","0.002","90","","94.54","0.01","90","","428","","","","","","","","","","","","Langesundfjord, Norway","3","P 1 21/n 1","-P 2yn","14","","Aluminium hydroxide","Gibbsite","- Al H3 O3 -","- Al H3 O3 -","- Al8 H24 O24 -","8","2","","Saalfeld, H; Wedde, M","Refinement of the crystal structure of gibbsite, Al (O H)3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1974","139","","129","135","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1200017","2.47","","2.47","","6.79","","90","","90","","120","","35.9","","","","","","","","","","","","from Kropfm}hl, Bavaria","1","P 63 m c","P 6c -2c","186","","Carbon","Graphite 2H","- C -","- C -","- C4 -","4","0.333333","","Hassel, O","Ueber die Kristallstruktur des Graphits","Zeitschrift fuer Physik","1924","25","","317","337","10.1007/BF01327534","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1200018","3.635","","3.635","","3.635","","39.49","","39.49","","39.49","","17.5","","","","","","","","","","","","Ceylon, Bavaria","1","R -3 m :R","-P 3* 2","166","","Carbon","Graphite 3R","- C -","- C -","- C2 -","2","0.166667","","Lipson, H.; Stokes, A. R.","The Structure of Graphite","Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences","1942","181","984","101","105","10.1098/rspa.1942.0063","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1200019","2.49","","2.49","","4.144","","90","","90","","120","","22.3","","","","","","","","","","","","","1","P 63 m c","P 6c -2c","186","","Carbon","Lonsdaleite","- C -","- C -","- C4 -","4","0.333333","","Yeh, C; Lu, Z W; Froyen, S; Zunger, A","Zinc-blende-Wurtzite polytypism in semiconductors","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1992","46","16","10086","10097","10.1103/PhysRevB.46.10086","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1200020","3.7021","0.0005","3.7021","0.0005","18.593","0.004","90","","90","","90","","254.83","0.07","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","Nickel Antimonide Selenide","","","- Ni5.72 Sb Se2 -","- Ni5.718 Sb Se2 -","- Ni11.436 Sb2 Se4 -","2","0.0625","","Thomas K. Reynolds; Joshua G. Bales; Francis J. DiSalvo","Synthesis and Properties of a New Metal-Rich Nickel Antimonide Telluride or Selenide: Ni7-SbX2 ( δ ≈ 1.3; X = Se or Te)","Chemistry of Materials","2002","14","11","4746","4751","10.1021/cm020585r","","","0.71073","MoKα","","0.0534","0.0534","","","0.1199","0.1199","","","","","","1.279","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1200021","12.4556","0.0004","11.41","0.0007","9.8681","0.0007","90","","101.318","0.004","90","","1375.2","0.1","297","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H12 O7 -","- C16 H12 O7 -","- C64 H48 O28 -","4","1","","Fujii, Isao; Hirayama, Noriaki","Structure of Capillarisin","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","X63","X64","10.2116/analscix.19.x63","","","1.5418","CuKα","","","0.04","","","","0.148","","","","","","1.21","","","","has coordinates","301774","2025-08-18","12:44:28",""
"1500001","10.303","","10.303","","10.303","","90","","90","","90","","1093.68","","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","Antimony Oxide (6/13)","","","- O13 Sb6 -","- O13 Sb6 -","- O52 Sb24 -","4","0.0208333","","David J. Steward; Osvald Knop; Conrad Ayasse; F. W. D. Woodhams","Pyrochlores. VII. The oxides of antimony: an X-ray and Moessbauer study","Canadian Journal of Chemistry","1972","50","","690","700","10.1139/v72-106","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1500002","13.786","0.0007","9.4013","0.0005","17.6679","0.0009","90","","98.672","0.001","90","","2263.7","0.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cd Cl4 N8 O2 -","- C14 H22 Cd Cl4 N8 O2 -","- C56 H88 Cd4 Cl16 N32 O8 -","4","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives","Journal of Molecular Structure","2008","882","","30","34","10.1016/j.molstruc.2007.09.004","","","0.71073","MoKα","","0.0236","0.0222","","","0.058","0.059","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500003","12.8903","0.0006","13.1999","0.0007","14.7455","0.0007","90","","117.673","0.001","90","","2221.96","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Cd N9 O9 S -","- C14 H21 Cd N9 O9 S -","- C56 H84 Cd4 N36 O36 S4 -","4","1","","Sonia B. Jiménez-Pulido; Fátima M. Linares-Ordoñez; Miguel N. Moreno-Carretero; Miguel Quirós","Versatile Coordinative Abilities of a New Hybrid Pteridine-Thiosemicarbazone Ligand: Crystal Structure, Spectroscopic Characterization, and Luminescent Properties","Inorganic Chemistry","2008","47","","1096","1106","10.1021/ic701994s","","","0.71073","MoKα","","0.0521","0.0485","","","0.1437","0.1473","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500004","11.7543","0.0007","12.6823","0.0007","6.6836","0.0004","90","","96.71","0.001","90","","989.51","0.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cd Cl3 N4 -","- C5 H5 Cd Cl3 N4 -","- C20 H20 Cd4 Cl12 N16 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives","Journal of Molecular Structure","2008","882","","30","34","10.1016/j.molstruc.2007.09.004","","","0.71073","MoKα","","0.0229","0.0214","","","0.055","0.0559","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500005","27.4534","0.0016","13.1997","0.0008","14.468","0.0008","90","","90","","90","","5242.9","0.5","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Hexaammine cobalt(III) hydrogenarseniate tetrahydrate","","- As3 Co2 H47 N12 O16 -","- As3 Co2 H47 N12 O16 -","- As24 Co16 H376 N96 O128 -","8","1","","Ritu Bala; Raj Pal Sharma; Rajni Sharma; Juan M. Salas; Miguel Quirós; William T.A. Harrison","Cationic cobaltammines as anion receptors: Synthesis, characterization an X-ray structure of bis-(hexaamminecobalt(III)) tris-(hydrogenarsenate) tetrahydrate","Journal of Molecular Structure","2007","828","","174","180","10.1016/j.molstruc.2006.05.047","","","0.71073","MoKα","","0.0335","0.0264","","","0.06","0.0622","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500006","21.9843","0.0018","8.7959","0.0007","23.0121","0.0018","90","","116.426","0.001","90","","3984.9","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H21.5 Cl Co N11 O5.25 -","- C11 H21.5 Cl Co N11 O5.25 -","- C88 H172 Cl8 Co8 N88 O42 -","8","1","","Rajni Sharma; Raj Pal Sharma; Paloth Venugopalan; Miguel Quirós; Juan M. Salas; J. Yu; Y. Du","Capture of aromatic carboxylate anion through second sphere coordination: Topological complementarity of [cis-Co(en)~2~(N~3~)~2~]^+^ and C~7~H~3~ClNO~4~^-^ ions","Journal of Molecular Structure","2008","885","","7","14","10.1016/j.molstruc.2007.10.010","","","0.71073","MoKα","","0.0433","0.0369","","","0.0923","0.0954","","","","","","1.061","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1500007","18.6201","0.001","12.0872","0.0006","24.0877","0.0012","90","","90","","90","","5421.3","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H32 Br4 Cd Cl4 Co2 N8 -","- C8 H32 Br4 Cd Cl4 Co2 N8 -","- C64 H256 Br32 Cd8 Cl32 Co16 N64 -","8","1","","Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós","Second sphere coordination complexes via hydrogen bonding: Synthesis, spectroscopic characterisation of [trans-Co(en)~2~Cl~2~]CdX~4~ (X = Br or I) and single crystal X-ray structure determination of [trans-Co(en)~2~Cl~2~]CdBr~4~","Journal of Molecular Structure","2006","794","","341","347","10.1016/j.molstruc.2006.02.053","","","0.71073","MoKα","","0.0973","0.0727","","","0.2214","0.2409","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500008","12.8349","0.0009","18.7451","0.0013","16.002","0.0011","90","","109.23","0.001","90","","3635.1","0.4","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H112 Cl7 Co6 N24 O26 P5 -","- C24 H96 Cl7 Co6 N24 O26 P5 -","- C48 H192 Cl14 Co12 N48 O52 P10 -","2","1","","Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas","A trinuclear cobalt(III) phosphate complex with a novel molecular structure: Synthesis and crystal structure of {[Co(en)~2~]~3~(PO~4~)(HPO~4~)}~2~(H~2~PO~4~)Cl~7~.6H~2~O","Inorganic Chemistry Communications","2006","9","","782","784","10.1016/j.inoche.2006.04.001","","","0.71073","MoKα","","0.0457","0.0406","","","0.095","0.0975","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500009","10.2635","0.0018","9.048","0.0015","9.752","0.002","90","","104.493","0.012","90","","876.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Co N7 O8 -","- C8 H26 Co N7 O8 -","- C16 H52 Co2 N14 O16 -","2","0.5","","Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós","Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl","Journal of Molecular Structure","2006","784","","222","227","10.1016/j.molstruc.2005.09.008","","","0.71073","MoKα","","0.0512","0.0408","","","0.1096","0.1184","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500010","6.1926","0.0007","18.248","0.003","6.2335","0.0006","90","","90.078","0.007","90","","704.41","0.16","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H18 Co N7 O8 -","- C4 H18 Co N7 O8 -","- C8 H36 Co2 N14 O16 -","2","0.5","","Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós","Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl","Journal of Molecular Structure","2006","784","","222","227","10.1016/j.molstruc.2005.09.008","","","0.71073","MoKα","","0.0999","0.0868","","","0.2891","0.2981","","","","","","1.236","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500011","14.9599","0.0007","19.0064","0.0009","23.4883","0.0011","90","","90","","90","","6678.5","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H29 Cl2 Co N9 O12 -","- C24 H18 Cl2 Co N9 O12 -","- C192 H144 Cl16 Co8 N72 O96 -","8","1","","Sonia B. Jiménez-Pulido; Fátima M. Linares-Ordoñez; José M. Martínez-Martos; Miguel N. Moreno-Carretero; Miguel Quirós; María J. Ramírez-Expósito","Metal complexes with the ligand derived from 6-acetyl-1,3,7-trimethyllumazine and benzohydrazide. Molecular structures of two new Co(II) and Rh(III) complexes and analysis of in vitro antitumor activity","Journal of Inorganic Biochemistry","2008","102","","1677","1683","10.1016/j.jinorgbio.2008.04.004","","","0.71073","MoKα","","0.1015","0.0713","","","0.2027","0.2247","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500012","24.778","0.002","30.457","0.002","6.5364","0.0005","90","","90","","90","","4932.8","0.7","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H32 Co2 Cr2 N12 O15 -","- C8 H32 Co2 Cr2 N12 O15 -","- C64 H256 Co16 Cr16 N96 O120 -","8","0.5","","Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós","Synthesis, spectroscopic characterisation and X-ray structure of [trans-Co(en)~2~(NO~2~)~2~]~2~(Cr~2~O~7~)","Journal of Chemical Crystallography","2005","35","10","769","775","10.1007/s10870-005-3886-9","","","0.71073","MoKα","","0.066","0.0617","","","0.1518","0.155","","","","","","1.094","","","","has coordinates","174896","2020-10-21","18:00:00",""
"1500013","9.5677","0.0005","12.4114","0.0006","13.3517","0.0006","75.465","0.001","71.674","0.001","78.059","0.001","1442.71","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Cl2 Cu N10 O10 -","- C22 H20 Cl2 Cu N10 O10 -","- C44 H40 Cl4 Cu2 N20 O20 -","2","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative","Polyhedron","2008","27","","2779","2784","10.1016/j.poly.2008.06.001","","","0.71073","MoKα","","0.0321","0.0306","","","0.0817","0.0826","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500014","12.1033","0.0005","18.1364","0.0007","14.2061","0.0005","90","","102.712","0.001","90","","3041.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl2 Cu N10 O9 -","- C26 H26 Cl2 Cu N10 O9 -","- C104 H104 Cl8 Cu4 N40 O36 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative","Polyhedron","2008","27","","2779","2784","10.1016/j.poly.2008.06.001","","","0.71073","MoKα","","0.0306","0.0284","","","0.0767","0.0781","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500015","14.8687","0.0009","7.347","0.0005","18.2668","0.0011","90","","95.563","0.001","90","","1986.1","0.2","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C17 H14 Cu N8 O7 -","- C17 H14 Cu N8 O7 -","- C68 H56 Cu4 N32 O28 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative","Polyhedron","2008","27","","2779","2784","10.1016/j.poly.2008.06.001","","","0.71073","MoKα","","0.0507","0.0451","","","0.1332","0.1388","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500016","13.3507","0.0008","14.2757","0.0009","13.053","0.0008","90","","114.735","0.001","90","","2259.5","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cl2 Cu N10 O10 -","- C12 H20 Cl2 Cu N10 O10 -","- C48 H80 Cl8 Cu4 N40 O40 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative","Polyhedron","2008","27","","2779","2784","10.1016/j.poly.2008.06.001","","","0.71073","MoKα","","0.0619","0.0526","","","0.1446","0.1518","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500017","14.2694","0.0006","8.768","0.0004","23.9159","0.001","90","","117.222","0.001","90","","2660.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cl2 Cu N10 O10 -","- C16 H28 Cl2 Cu N10 O10 -","- C64 H112 Cl8 Cu4 N40 O40 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative","Polyhedron","2008","27","","2779","2784","10.1016/j.poly.2008.06.001","","","0.71073","MoKα","","0.0511","0.0484","","","0.138","0.1403","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500018","13.2076","0.0007","22.2625","0.001","14.1257","0.0007","90","","102.797","0.001","90","","4050.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl3 Cu2 N20 O17 -","- C25 H29 Cl3 Cu2 N20 O17 -","- C100 H116 Cl12 Cu8 N80 O68 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative","Polyhedron","2008","27","","2779","2784","10.1016/j.poly.2008.06.001","","","0.71073","MoKα","","0.0693","0.0604","","","0.1558","0.1626","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500019","9.4668","0.0007","8.8177","0.0006","25.9413","0.0018","90","","90","","90","","2165.5","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C104 H88 N8 O16 -","8","1","","Maria Lalia Kantouri; Christos D. Papadopoulos; Antonios G. Hatzdimitriou; Miguel Quirós","Synthesis and characterization of new Co(III) mixed-ligand complexes, containing 2-hydroxy-aryloximes and α-diimines. Crystal and molecular strucutre of [Co(saox)(bipy)~2~]Br","Polyhedron","2007","26","","1292","1302","10.1016/j.poly.2006.10.047","","","0.71073","MoKα","","0.0584","0.0467","","","0.1264","0.1347","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500020","13.1234","0.0006","18.0169","0.0009","18.6161","0.0009","102.806","0.001","102.335","0.001","107.799","0.001","3894.5","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H76 F12 N4 O16 Ru4 S4 -","- C68 H72 F12 N4 O16 Ru4 S4 -","- C136 H144 F24 N8 O32 Ru8 S8 -","2","1","","Miguel A. Galindo; Miguel Quirós; M. Angustias Romero; Jorge A.R. Navarro","Cyclic tetranuclear half-sandwich ruthenium(II) complexes with 4,7-phenanthroline and hydroxo bridges: Crystal structure, solution behaviour and binding to nucleosides","Journal of Inorganic Biochemistry","2008","102","","1025","1032","10.1016/j.jinorgbio.2007.11.009","","","0.71073","MoKα","","0.1083","0.0833","","","0.2636","0.2882","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500021","32.9293","0.0014","20.2105","0.0009","22.498","0.0009","90","","105.708","0.001","90","","14413.6","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H84 N8 O20 Ru4 -","- C64 H72 N8 O20 Ru4 -","- C512 H576 N64 O160 Ru32 -","8","1","","Miguel A. Galindo; Miguel Quirós; M. Angustias Romero; Jorge A.R. Navarro","Cyclic tetranuclear half-sandwich ruthenium(II) complexes with 4,7-phenanthroline and hydroxo bridges: Crystal structure, solution behaviour and binding to nucleosides","Journal of Inorganic Biochemistry","2008","102","","1025","1032","10.1016/j.jinorgbio.2007.11.009","","","0.71073","MoKα","","0.0881","0.0675","","","0.234","0.2589","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500022","17.7483","0.001","36.829","0.002","17.3196","0.001","90","","90","","90","","11320.9","1.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28.81 H26.43 Br Co N5.33 O3.9 -","- C28.815 H26.432 Br Co N5.333 O3.9 -","- C461.04 H422.912 Br16 Co16 N85.328 O62.4 -","16","2","","Maria Lalia-Kantouri; Christos D. Papadopoulos; Antonios G. Hatzidimitriou; Miguel Quirós","Synthesis and characterization of new Co(III) mixed-ligand complexes, containing 2-hydroxy-aryloximes and α-diimines. Crystal and molecular strucutre of [Co(saox)(bipy)~2~]Br","Polyhedron","2007","26","","1292","1302","10.1016/j.poly.2006.10.047","","","0.71073","MoKα","","0.0406","0.0306","","0.087","0.0728","0.0728","","","","","","1.0498","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1500023","36.332","0.002","9.1289","0.0005","19.2431","0.0011","90","","103.487","0.001","90","","6206.4","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H41 Co N4 O8 -","- C28 H41 Co N4 O8 -","- C224 H328 Co8 N32 O64 -","8","1","","Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas","First X-ray structure of a cis-isomer of cobalt(III) aromatic carboxylate: Synthesis, and characterization of [cis-Co(en)~2~(C~8~H~7~O~2~)~2~](C~8~H~7~O~2~).2H~2~O, where C~8~H~7~O~2~ = p-methylbenzoate","Inorganic Chemistry Communications","2006","9","","1075","1078","10.1016/j.inoche.2006.07.002","","","0.71073","MoKα","","0.0628","0.0497","","","0.1321","0.1412","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500024","8.8749","0.0003","16.4118","0.0007","7.1373","0.0003","90","","93.8031","0.001","90","","1037.28","0.07","293","","293","","","","","","","","www.serateclab.com","5","P 1 21/n 1","-P 2yn","14","bethanechol chloride","","","- C7 H17 Cl N2 O2 -","- C7 H17 Cl N2 O2 -","- C28 H68 Cl4 N8 O8 -","4","1","","Armel Le Bail","<i>Ab initio</i> structure determination of bethanechol chloride","Powder Diffraction","2010","25","","","","","powder diffraction","","1.54056","CuKα","","","","","","","","","3.5799","","","","","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500026","6.811","0.0008","8.7316","0.001","8.9234","0.001","86.413","0.002","67.813","0.002","87.315","0.002","490.27","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Hexaacua cadmium(II) 4,5,6,7-tetrahydro-4-methyl-5,7-dioxo- -1,2,3-triazolo-[4,5-d]-pyrimidinate","","- C10 H20 Cd N10 O10 -","- C10 H20 Cd N10 O10 -","- C10 H20 Cd N10 O10 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas; Antonio Rodríguez-Diéguez","","Inorganica Chimica Acta","2009","362","","1553","1558","10.1016/j.ica.2008.07.029","","","0.71073","MoKα","","0.0256","0.025","","","0.0638","0.064","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500027","7.7334","0.0005","7.8437","0.0005","9.9055","0.0006","75.722","0.001","80.977","0.001","65.012","0.001","526.84","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 Cd N10 O10 -","- C12 H24 Cd N10 O10 -","- C12 H24 Cd N10 O10 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas; Antonio Rodríguez-Diéguez","","Inorganica Chimica Acta","2009","362","","1553","1558","10.1016/j.ica.2008.07.029","","","0.71073","MoKα","","0.0243","0.0242","","","0.0623","0.0624","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500028","8.4355","0.0006","40.985","0.003","7.1685","0.0005","90","","113.298","0.001","90","","2276.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 Cu N13 O4 -","- C18 H29 Cu N13 O4 -","- C72 H116 Cu4 N52 O16 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2010","29","","372","378","10.1016/j.poly.2009.06.002","","","0.71073","MoKα","","0.053","0.0476","","","0.11","0.1121","","","","","","1.255","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500029","7.5499","0.0006","8.1885","0.0006","10.9247","0.0009","108.819","0.001","96.302","0.001","97.634","0.001","625.18","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 Cu N14 O6 -","- C16 H32 Cu N14 O6 -","- C16 H32 Cu N14 O6 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2010","29","","372","378","10.1016/j.poly.2009.06.002","","","0.71073","MoKα","","0.0311","0.0303","","","0.0782","0.0787","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500030","9.2352","0.001","11.433","0.0013","11.7995","0.0013","71.035","0.002","87.722","0.002","77.265","0.002","1148.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 Cu2 N14 O18 -","- C36 H54 Cu2 N14 O18 -","- C36 H54 Cu2 N14 O18 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Inorganic Chemistry Communications","2010","13","","399","403","10.1016/j.inoche.2009.12.033","","","0.71073","MoKα","","0.0479","0.0419","","","0.1056","0.1096","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500031","8.4735","0.0006","9.1517","0.0007","10.25","0.0008","89.138","0.001","88.455","0.001","64.069","0.001","714.57","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Mn N12 O8 -","- C22 H30 Mn N12 O8 -","- C22 H30 Mn N12 O8 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2009","28","","911","916","10.1016/j.poly.2009.01.037","","","0.71073","MoKα","","0.0379","0.0354","","","0.0985","0.1007","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500032","8.4326","0.0005","9.0674","0.0005","10.2434","0.0006","89.034","0.001","88.769","0.001","63.924","0.001","703.32","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Co N12 O8 -","- C22 H30 Co N12 O8 -","- C22 H30 Co N12 O8 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2009","28","","911","916","10.1016/j.poly.2009.01.037","","","0.71073","MoKα","","0.033","0.0316","","","0.0885","0.0895","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500033","8.4471","0.0004","8.6061","0.0004","11.4137","0.0006","83.422","0.001","69.44","0.001","61.375","0.001","680.47","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N12 Ni O8 -","- C22 H30 N12 Ni O8 -","- C22 H30 N12 Ni O8 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2009","28","","911","916","10.1016/j.poly.2009.01.037","","","0.71073","MoKα","","0.0287","0.0284","","","0.0772","0.0773","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500034","8.6913","0.0005","11.2673","0.0007","14.9465","0.0009","110.327","0.001","92.4","0.001","98.579","0.001","1350.22","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Cu N12 O8 -","- C22 H30 Cu N12 O8 -","- C44 H60 Cu2 N24 O16 -","2","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2009","28","","911","916","10.1016/j.poly.2009.01.037","","","0.71073","MoKα","","0.0302","0.029","","","0.0811","0.082","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500035","8.409","0.0009","8.9126","0.0009","9.9452","0.001","86.016","0.002","86.98","0.002","66.681","0.001","682.56","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N12 O8 Zn -","- C22 H30 N12 O8 Zn -","- C22 H30 N12 O8 Zn -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2009","28","","911","916","10.1016/j.poly.2009.01.037","","","0.71073","MoKα","","0.0245","0.024","","","0.0634","0.0637","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500036","8.5015","0.0004","9.1721","0.0005","10.1821","0.0005","87.25","0.001","87.41","0.001","65.661","0.001","722.29","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Cd N12 O8 -","- C22 H30 Cd N12 O8 -","- C22 H30 Cd N12 O8 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2009","28","","911","916","10.1016/j.poly.2009.01.037","","","0.71073","MoKα","","0.023","0.0229","","","0.0605","0.0606","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500037","7.7462","0.0014","8.0979","0.0015","9.9361","0.0018","74.563","0.003","80.102","0.003","63.533","0.003","536.79","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 Mn N10 O10 -","- C12 H24 Mn N10 O10 -","- C12 H24 Mn N10 O10 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas; Antonio Rodríguez-Diéguez","","Inorganica Chimica Acta","2009","362","","1553","1558","10.1016/j.ica.2008.07.029","","","0.71073","MoKα","","0.0382","0.0372","","","0.1113","0.1126","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500038","8.1905","0.0019","8.2396","0.0013","10.8651","0.0017","95.215","0.002","95.77","0.003","117.933","0.002","636.5","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H34 N14 Ni O7 -","- C16 H34 N14 Ni O7 -","- C16 H34 N14 Ni O7 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2010","29","","372","378","10.1016/j.poly.2009.06.002","","","0.71073","MoKα","","0.0424","0.0413","","","0.1139","0.1147","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500039","5.05506","0.00012","5.51404","0.00014","22.95644","0.00091","90","","101.291","0.002","90","","627.5","0.03","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzamide","","","- C7 H7 N O -","- C7 H7 N O -","- C28 H28 N4 O4 -","4","1","","Thun, Jürgen; Seyfarth, Lena; Senker, Jürgen; Dinnebier, Robert E.; Breu, Josef","Polymorphism in benzamide: solving a 175-year-old riddle.","Angewandte Chemie (International ed. in English)","2007","46","35","6729","6731","10.1002/anie.200701383","","","","","","","","","","","","","","","","","","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1500040","16.33228","0.00018","16.2155","0.0003","7.24228","0.00009","90","","90","","90","","1918.02","0.05","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Silver(I) complex of 2,2-Dimethyl-1,3-Diisocyano Propane","","- C7 H10 Ag Cl N2 -","- C7 H10 Ag Cl N2 -","- C56 H80 Ag8 Cl8 N16 -","8","1","","Al-Ktaifani, M. M.; Rukiah, M. K.; Shaaban, A. K.","Synthesis and Solid State Characterization of Organometallic Polymer of Ag(I) Using 2,2-Dimethyl-1,3-diisocyano Propane Ligand","Pol.J.Chem.","2008","82","","547","557","","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","2.9758","1.85","","","","","","","has coordinates","190405","2020-10-21","18:00:00",""
"1500041","3.921","0.002","3.921","0.002","13.175","0.005","90","","90","","90","","202.56","0.17","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ba Fe La O4 -","- Ba Fe La O4 -","- Ba2 Fe2 La2 O8 -","2","0.0625","","Abbattista, F; Mazza, D; Vallino, M","Preparatiion and characterization of BaLaFeO4","Materials Research Bulletin","1986","21","","733","738","10.1016/0025-5408(86)90153-4","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","190403","2020-10-21","18:00:00",""
"1500042","3.765","0.001","3.765","0.001","12.918","0.01","90","","90","","90","","183.12","0.16","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Fe0.5 La1.75 Li0.75 O3.92 -","- Fe0.5 La1.75 Li0.75 O3.92 -","- Fe La3.5 Li1.5 O7.84 -","2","0.0625","","Abbattista, F; Mazza, D; Vallino, M","New Phase with K2 Ni F4 Structure in the La-Li-Fe-O System","Materials Research Bulletin","1985","20","","393","398","10.1016/0025-5408(85)90006-6","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","190403","2020-10-21","18:00:00",""
"1500043","3.772","0.001","3.772","0.001","12.757","0.004","90","","90","","90","","181.51","0.09","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Al0.5 La2 Li0.5 O4 -","- Al0.5 La2 Li0.5 O4 -","- Al La4 Li O8 -","2","0.0625","","Abbattista, F; Mazza, D; Vallino, M","Preparation and characterization of La2 Li.5 Al.5 O4 with K2 Ni F4 structure","Inorganica Chimica Acta","1987","140","","147","149","10.1016/S0020-1693(00)81072-5","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","190403","2020-10-21","18:00:00",""
"1500044","13.24","0.003","13.24","0.003","7.497","0.003","90","","90","","90","","1314.2","0.7","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- Fe6 La24 Li22 O56 -","- Fe6 La24 Li22 O56 -","- Fe6 La24 Li22 O56 -","1","0.0625","","Abbattista, F; Mazza, D; Vallino, M; Gazzano, M","A new structure in the La-Li-Fe-O system","Journal of the Less-Common Metals","1988","142","","203","211","10.1016/0022-5088(88)90178-6","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","190403","2020-10-21","18:00:00",""
"1500045","6.5744","0.0001","19.604","0.0004","13.4362","0.0002","90","0.001","92.7382","0.0012","90","","1729.74","0.05","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ru(dcbpy)(CO)2Br2.(H2O)","","","- C14 H10 Br2 N2 O7 Ru -","- C14 H10 Br2 N2 O7 Ru -","- C56 H40 Br8 N8 O28 Ru4 -","4","1","","Luukkanen, Saija; Haukka, Matti; Eskelinen, Esa; Pakkanen, Tapani A.; Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkiö, Pasi; Korppi-Tommola, Jouko","Photochemical reactivity of halogen-containing ruthenium‒dcbpy (dcbpy = 4,4'-dicarboxylic acid-2,2'-bipyridine) compounds, trans(Br)-[Ru(dcbpy)(CO)2Br2] and trans(I)-[Ru(dcbpy)(CO)2I2]","Physical Chemistry Chemical Physics","2001","3","11","1992","","10.1039/b100659m","","","0.71073","MoKα","","0.0256","0.0234","","","0.0612","0.0626","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500046","23.8522","0.0015","7.531","0.0004","14.0178","0.0008","90","","106.009","0.002","90","","2420.4","0.2","571","2","571","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C40 H52 Ag2 F6 N O7 P S4 -","- C40 H52 Ag2 F6 N O7 P S4 -","- C80 H104 Ag4 F12 N2 O14 P2 S8 -","2","0.5","","Yoon, Il; Lee, Yoon Hee; Lee, Shim Sung; Lee, Sang Cheol; Park, Sung Bae","S2O2 donor cyclic and acyclic ionophores: Potentiometric sensing for Ag(i) and a new nitrate-bridged dimeric Ag(i) complex of the acyclic ionophore with an unusual structure","The Analyst","2001","126","10","1773","","10.1039/b105136a","","","0.71073","MoKα","","0.0383","0.034","","","0.095","0.0989","","","","","","1.03","","","","has coordinates","287927","2023-12-01","08:31:07",""
"1501458","12.307","0.003","13.672","0.003","20.575","0.004","90","","92.356","0.004","90","","3459","1.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 K N2 O4 S4 -","- C32 H26 In K N2 O4 S4 -","- C128 H104 In4 K4 N8 O16 S16 -","4","1","","Theivanayagam C. Deivaraj; Wei Hoon Lye; Jagadese J. Vittal","New Metalloligands [M(SC{O}Ph)4]-: Synthesis and Characterization of Polymeric [A(MeCN)x{M(SC{O}Ph)4}] Compounds (A = Li, Na and K; M = Ga and In; x= 0-2)","Inorganic Chemistry","2002","41","","3755","3760","10.1021/ic025533i","","","0.71073","MoKα","","0.0479","0.0349","","","0.0649","0.0677","","","","","","0.885","","","","has coordinates","287984","2023-12-04","12:51:06",""
"1501459","24.5766","0.0008","13.2758","0.0005","19.9983","0.0008","90","","108.426","0.001","90","","6190.4","0.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.75 H22 Li N0.5 O4.25 S4 -","- C28.75 H21.5 In Li N0.5 O4.25 S4 -","- C230 H172 In8 Li8 N4 O34 S32 -","8","1","","Theivanayagam C. Deivaraj; Wei Hoon Lye; Jagadese J. Vittal","New Metalloligands [M(SC{O}Ph)4]-: Synthesis and Characterization of Polymeric [A(MeCN)x{M(SC{O}Ph)4}] Compounds (A = Li, Na and K; M = Ga and In; x= 0-2)","Inorganic Chemistry","2002","41","","3755","3760","10.1021/ic025533i","","","0.71073","MoKα","","0.0722","0.0514","","","0.1089","0.1166","","","","","","1.082","","","","has coordinates,has disorder","287984","2023-12-04","12:51:19",""
"1501460","10.5774","0.0007","21.9723","0.0015","14.4196","0.001","90","","110.121","0.001","90","","3146.7","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N Na O4 S4 -","- C30 H23 In N Na O4 S4 -","- C120 H92 In4 N4 Na4 O16 S16 -","4","1","","Theivanayagam C. Deivaraj; Wei Hoon Lye; Jagadese J. Vittal","New Metalloligands [M(SC{O}Ph)4]-: Synthesis and Characterization of Polymeric [A(MeCN)x{M(SC{O}Ph)4}] Compounds (A = Li, Na and K; M = Ga and In; x= 0-2)","Inorganic Chemistry","2002","41","","3755","3760","10.1021/ic025533i","","","0.71073","MoKα","","0.0364","0.025","","","0.0514","0.0557","","","","","","1.027","","","","has coordinates","287984","2023-12-04","12:51:28",""
"1501461","3.9092","","3.9092","","14.1353","","90","","90","","90","","216.013","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Fe2 K0.8 Se1.96 -","- Fe2 K0.792 Se2 -","- Fe4 K1.584 Se4 -","2","0.0625","","Krzton-Maziopa, A.; Shermadini, Z.; Pomjakushina, E.; Pomjakushina, V.; Bendele, M.; Amato, A.; Khasanov, R.; Luetkens, H.; Conder, K.","Synthesis and crystal growth of Cs0.8(FeSe0.98)2: a new iron-based superconductor with Tc=27K","Journal of Physics: Condensed Matter","2011","23","","1","4","","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1501462","3.9601","","3.9601","","15.2846","","90","","90","","90","","239.699","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Cs0.8 Fe2 Se1.96 -","- Cs0.771 Fe2 Se2 -","- Cs1.542 Fe4 Se4 -","2","0.0625","","Krzton-Maziopa, A.; Shermadini, Z.; Pomjakushina, E.; Pomjakushina, V.; Bendele, M.; Amato, A.; Khasanov, R.; Luetkens, H.; Conder, K.","Synthesis and crystal growth of Cs0.8(FeSe0.98)2: a new iron-based superconductor with Tc=27K","Journal of Physics: Condensed Matter","2011","23","","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1501463","4.7402","","4.7402","","26.0028","","90","","90","","120","","505.992","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Fe7 Mo6 -","- Fe7 Mo6 -","- Fe21 Mo18 -","3","0.0833333","","Lejaeghere, Kurt; Cottenier, Stefaan; Claessens, Serge; Waroquier, Michel; Van Speybroeck, Veronique","Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: The Fe-Mo system","Physical Review B","2011","83","18","184201","","10.1103/PhysRevB.83.184201","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501464","4.6594","","4.6594","","7.7433","","90","","90","","120","","145.585","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Fe2 Mo -","- Fe2 Mo -","- Fe8 Mo4 -","4","0.166667","","Lejaeghere, Kurt; Cottenier, Stefaan; Claessens, Serge; Waroquier, Michel; Van Speybroeck, Veronique","Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: The Fe-Mo system","Physical Review B","2011","83","18","184201","","10.1103/PhysRevB.83.184201","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501465","5.373","","5.373","","8.847","","90","","90","","120","","221.187","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Tc2 Y -","- Tc2 Y -","- Tc8 Y4 -","4","0.166667","","Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan","Nuclear quadrupole moment of the 99Tc ground state","Physical Review B","2008","77","","195118","","10.1103/PhysRevB.77.195118","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501466","5.2185","","5.2185","","8.6527","","90","","90","","120","","204.067","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Tc2 Zr -","- Tc2 Zr -","- Tc8 Zr4 -","4","0.166667","","Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan","Nuclear quadrupole moment of the 99Tc ground state","Physical Review B","2008","77","","195118","","10.1103/PhysRevB.77.195118","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501467","5.63","","5.63","","12.867","","90","","90","","90","","407.844","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- K O4 Tc -","- K O4 Tc -","- K4 O16 Tc4 -","4","0.25","","Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan","Nuclear quadrupole moment of the 99Tc ground state","Physical Review B","2008","77","","195118","","10.1103/PhysRevB.77.195118","","","","","","","","","","","","","","","","","","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501468","5.758","","5.758","","13.54","","90","","90","","90","","448.913","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- O4 Rb Tc -","- O4 Rb Tc -","- O16 Rb4 Tc4 -","4","0.25","","Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan","Nuclear quadrupole moment of the 99Tc ground state","Physical Review B","2008","77","","195118","","10.1103/PhysRevB.77.195118","","","","","","","","","","","","","","","","","","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501469","11.432","0.003","6.927","0.002","21.289","0.008","90","","106.54","0.04","90","","1616.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cu N4 O10 -","- C11 H16 Cu N4 O10 -","- C44 H64 Cu4 N16 O40 -","4","1","","Carmen Enrique; Miguel Quirós; Juan M. Salas; Antonio García; José Daniel Martín","5(2'Carboxy)phenylazo barbiturate diaqua copper(II) trihydrate: Characterization and crystal structure","Journal of Crystallographic and Spectroscopic Research","1993","23","","407","410","10.1007/BF01159143","","","1.54184","CuKα","","0.0418","0.0416","","","0.1177","0.1181","","","","","","1.049","","","","has coordinates,has Fobs","301775","2025-08-18","14:01:16",""
"1501470","19.648","0.003","5.9969","0.0008","4.8691","0.0006","90","","90","","90","","573.71","0.14","298","","298","","","","","","","","","3","P m c a","-P 2ac 2a","57","","","","- Li2 O7 Si3 -","- Li2 O7 Si3 -","- Li8 O28 Si12 -","4","0.5","","Krüger, Hannes; Kahlenberg, Volker; Kaindl, R.","Li2Si3O7: Crystal structure and Raman Spectroscopy","Journal of Solid State Chemistry","2007","180","","936","942","","","","0.71073","MoKα","","0.0505","0.035","","","0.0374","0.0399","","","","2.46","2.46","2.34","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501471","11.4616","0.0002","16.3861","0.0003","20.877","0.0004","90","","95.0205","0.0011","90","","3905.89","0.12","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H35 Cd Cl N4 O7 -","- C45 H35 Cd Cl N4 O7 -","- C180 H140 Cd4 Cl4 N16 O28 -","4","1","","Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau","Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes","Chemical Communications","2011","47","37","10431","10433","10.1039/c1cc13961d","","","0.71073","MoKα","","0.0631","0.0364","","","0.0765","0.0859","","","","","","1.019","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501472","11.4117","0.0002","16.3761","0.0002","20.9794","0.0003","90","","95.007","0.0009","90","","3905.65","0.1","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H35 Cl Hg N4 O7 -","- C45 H35 Cl Hg N4 O7 -","- C180 H140 Cl4 Hg4 N16 O28 -","4","1","","Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau","Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes","Chemical Communications","2011","47","37","10431","10433","10.1039/c1cc13961d","","","0.71073","MoKα","","0.0565","0.0324","","","0.0608","0.0674","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501473","10.1785","0.0002","16.3337","0.0005","24.162","0.0005","90","","91.037","0.0014","90","","4016.34","0.17","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 F3 N4 O7 S Zn -","- C45 H35 F3 N4 O7 S Zn -","- C180 H140 F12 N16 O28 S4 Zn4 -","4","1","","Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau","Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes","Chemical Communications","2011","47","37","10431","10433","10.1039/c1cc13961d","","","0.71073","MoKα","","0.0829","0.0432","","","0.0883","0.1034","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501474","13.2066","0.0002","13.243","0.0001","14.306","0.0002","102.54","0.0009","116.809","0.0006","99.7178","0.0009","2075.18","0.05","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 Cd Cl N5 O8 -","- C46 H38 Cd Cl N5 O8 -","- C92 H76 Cd2 Cl2 N10 O16 -","2","1","","Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau","Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes","Chemical Communications","2011","47","37","10431","10433","10.1039/c1cc13961d","","","0.71073","MoKα","","0.0469","0.0348","","","0.0749","0.0803","","","","","","1.037","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501475","4.0055","0.0009","3.9897","0.0008","4.0426","0.0008","90","","90.19","0.02","90","","64.6","0.02","","","","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501476","3.996","0.0001","3.996","0.0001","4.0492","0.0002","90","","90","","90","","64.658","0.004","","","300","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501477","3.9948","0.0001","3.9948","0.0001","4.0513","0.0002","90","","90","","90","","64.652","0.004","","","275","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501478","3.9938","0.0001","3.9938","0.0001","4.0532","0.0002","90","","90","","90","","64.65","0.004","","","245","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501479","4.001","0.0001","4.001","0.0001","4.0411","0.0002","90","","90","","90","","64.69","0.004","","","350","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501480","4.0024","0.0001","4.0024","0.0001","4.0393","0.0001","90","","90","","90","","64.706","0.003","","","375","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501481","4.0083","0.0002","4.0083","0.0002","4.029","0.0002","90","","90","","90","","64.732","0.006","","","430","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501482","4.0108","0.0001","4.0108","0.0001","4.0237","0.0002","90","","90","","90","","64.727","0.004","","","445","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501483","4.0054","0.0006","3.9896","0.0005","4.0452","0.0006","90","","90.23","0.01","90","","64.642","0.016","","","200","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501484","4.005","0.0002","3.9851","0.0002","4.0475","0.0002","90","","90.241","0.004","90","","64.599","0.006","","","150","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501485","4.0022","0.0002","3.9838","0.0002","4.0503","0.0002","90","","90.252","0.004","90","","64.577","0.006","","","80","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501486","4.0152","0.0001","4.0152","0.0001","4.0152","0.0001","90","","90","","90","","64.732","0.003","","","480","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501487","4.0157","0.0001","4.0157","0.0001","4.0157","0.0001","90","","90","","90","","64.757","0.003","","","530","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501488","4.0191","0.0001","4.0191","0.0001","4.0191","0.0001","90","","90","","90","","64.921","0.003","","","480","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501489","4.0189","0.0001","4.0189","0.0001","4.0189","0.0001","90","","90","","90","","64.911","0.003","","","455","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501490","4.0159","0.0001","4.0159","0.0001","4.0249","0.0002","90","","90","","90","","64.911","0.004","","","430","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501491","4.0134","0.0001","4.0134","0.0001","4.0301","0.0002","90","","90","","90","","64.914","0.004","","","400","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501492","4.0121","0.0001","4.0121","0.0001","4.0322","0.0002","90","","90","","90","","64.906","0.004","","","390","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501493","4.019","0.0002","4.0078","0.0002","4.0276","0.0002","90","","90.128","0.006","90","","64.874","0.006","","","340","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501494","4.02","0.0003","4.0046","0.0002","4.0281","0.0003","90","","90.178","0.005","90","","64.846","0.008","","","300","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501495","4.0204","0.0004","3.9997","0.0002","4.0289","0.0004","90","","90.241","0.004","90","","64.786","0.01","","","200","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501496","4.022","0.0004","3.9946","0.0002","4.0314","0.0004","90","","90.314","0.005","90","","64.769","0.01","","","80","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501497","4.0215","0.0001","4.0215","0.0001","4.0215","0.0001","90","","90","","90","","65.038","0.003","","","550","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501498","4.0211","0.0001","4.0211","0.0001","4.0211","0.0001","90","","90","","90","","65.018","0.003","","","500","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501499","4.0206","0.0001","4.0206","0.0001","4.0206","0.0001","90","","90","","90","","64.994","0.003","","","450","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501500","4.0166","0.0001","4.0166","0.0001","4.0287","0.0002","90","","90","","90","","64.995","0.004","","","415","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501501","5.6968","0.0003","5.682","0.0004","4.0132","0.0003","90","","90.125","0.008","90","","129.904","0.015","","","300","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.474 Nb0.946 O6 Pb2 Ti0.58 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501502","5.7025","0.0003","5.6778","0.0003","4.0087","0.0002","90","","90.24","0.006","90","","129.791","0.012","","","80","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.474 Nb0.946 O6 Pb2 Ti0.58 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501503","5.7022","0.0003","5.6815","0.0004","4.0167","0.0003","90","","90.248","0.005","90","","130.128","0.015","","","80","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501504","5.6987","0.0005","5.687","0.006","4.0211","0.0004","90","","90.135","0.008","90","","130.32","0.14","","","300","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501505","5.6969","0.0006","5.6889","0.0005","4.0215","0.0001","90","","90.109","0.001","90","","130.333","0.018","","","350","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501506","5.6952","0.0006","5.6903","0.0008","4.022","0.0001","90","","90.083","0.001","90","","130.34","0.02","","","375","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501507","4.0242","0.0001","4.0242","0.0001","4.0242","0.0001","90","","90","","90","","65.169","0.003","","","400","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501508","4.0244","0.0001","4.0244","0.0001","4.0244","0.0001","90","","90","","90","","65.178","0.003","","","450","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501509","4.02545","0.00001","4.02545","0.00001","4.02545","0.00001","90","","90","","90","","65.2294","0.0003","","","500","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","1","0.0208333","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501510","3.992","0","3.992","0","4.0516","0.0001","90","","90","","90","","64.5666","0.0016","","","","","","","","","","","","5","P 4 m m","P 4 -2","99","","","","- Mg0.203 Nb0.407 O3 Pb Ti0.39 -","- Mg0.203 Nb0.407 O3 Pb Ti0.39 -","- Mg0.203 Nb0.407 O3 Pb Ti0.39 -","1","0.125","","Singh, Akhilesh Kumar; Pandey, Dhananjai","Evidence for MB and MC phases in the morphotropic phase boundary region of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3: a Rietveld study","Physical Review B","2003","67","6","1","18","10.1103/PhysRev.67.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501511","4.0183","0.0002","4.0046","0.0001","4.0276","0.0002","90","","90.146","0.003","90","","64.811","0.005","","","80","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai","Evidence for MB and MC phases in the morphotropic phase boundary region of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3: a Rietveld study","Physical Review B","2003","67","6","1","12","10.1103/PhysRev.67.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501512","5.6951","0.0002","5.6813","0.0002","4.0138","0.0001","90","","90.136","0.003","90","","129.868","0.007","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.474 Nb0.946 O6 Pb2 Ti0.58 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai","Evidence for MB and MC phases in the morphotropic phase boundary region of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3: a Rietveld study","Physical Review B","2003","67","6","1","12","10.1103/PhysRev.67.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501513","5.6841","0.0001","5.6841","0.0001","6.98","0.0001","90","","90","","120","","195.303","0.006","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- Mg0.247 Nb0.493 O3 Pb Ti0.26 -","- Mg0.247 Nb0.493 O3 Pb Ti0.26 -","- Mg0.741 Nb1.479 O9 Pb3 Ti0.78 -","3","0.166667","","Singh, Akhilesh Kumar; Pandey, Dhananjai","Evidence for MB and MC phases in the morphotropic phase boundary region of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3: a Rietveld study","Physical Review B","2003","67","6","1","12","10.1103/PhysRev.67.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501514","5.6921","0.0001","5.6921","0.0001","6.9882","0.0002","90","","90","","120","","196.083","0.007","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- Mg0.267 Nb0.533 O3 Pb Ti0.2 -","- Mg0.267 Nb0.533 O3 Pb Ti0.2 -","- Mg0.801 Nb1.599 O9 Pb3 Ti0.6 -","3","0.166667","","Singh, Akhilesh Kumar; Pandey, Dhananjai","Evidence for MB and MC phases in the morphotropic phase boundary region of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3: a Rietveld study","Physical Review B","2003","67","6","1","12","10.1103/PhysRev.67.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501515","3.95251","0.000025","3.95251","0.000025","4.1484","0.00006","90","","90","","90","","64.8077","0.0011","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","","","- Mg0.8 O3 Pb Ti0.2 -","- O3 Pb Ti0.8 Zr0.2 -","- O3 Pb Ti0.8 Zr0.2 -","1","0.125","","Frantti, J.; Lappalainen, J.; Eriksson, S.; Lantto, V.; Nishio, S.; Kakihana, M.; Ivanov, S.; Rundlof, H.","Neutron diffraction studies of Pb (Zrx Ti1-x) O3 ceramics","Japanese Journal of Applied Physics, Part 1","2000","39","","5697","5703","10.1143/JJAP.39.5697","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501516","2.9059","0.00006","2.9059","0.00006","2.83767","0.00008","90","","90","","120","","20.7517","0.0008","","","300","","","","101","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501517","2.90583","0.00009","2.90583","0.00009","2.83765","0.00013","90","","90","","120","","20.7506","0.0013","","","300","","","","107500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501518","2.90512","0.00009","2.90512","0.00009","2.83689","0.00013","90","","90","","120","","20.7349","0.0013","","","300","","","","317500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501519","2.9007","0.00009","2.9007","0.00009","2.83459","0.00013","90","","90","","120","","20.6551","0.0013","","","300","","","","1715000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501520","2.89385","0.00009","2.89385","0.00009","2.8299","0.00012","90","","90","","120","","20.5236","0.0013","","","300","","","","4245000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501521","2.87453","0.00009","2.87453","0.00009","2.81659","0.00012","90","","90","","120","","20.1552","0.0012","","","300","","","","11940000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501522","2.86489","0.00009","2.86489","0.00009","2.80967","0.00012","90","","90","","120","","19.9711","0.0012","","","300","","","","16042500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501523","2.85737","0.00009","2.85737","0.00009","2.80421","0.00012","90","","90","","120","","19.8278","0.0012","","","300","","","","19760000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501524","2.85592","0.00009","2.85592","0.00009","2.80289","0.00012","90","","90","","120","","19.7983","0.0012","","","300","","","","20290000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501525","2.84977","0.00009","2.84977","0.00009","2.79816","0.00012","90","","90","","120","","19.6799","0.0012","","","300","","","","22922500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501526","2.84938","0.00009","2.84938","0.00009","2.79768","0.00012","90","","90","","120","","19.6711","0.0012","","","300","","","","23222500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501527","2.8436","0.00009","2.8436","0.00009","2.79295","0.00012","90","","90","","120","","19.5583","0.0012","","","300","","","","26262500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501528","2.83473","0.00011","2.83473","0.00011","2.7862","0.00018","90","","90","","120","","19.3895","0.0016","","","300","","","","30427500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501529","2.89455","0.00009","2.89455","0.00009","2.83211","0.00012","90","","90","","120","","20.5496","0.0013","","","473","","","","4530000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501530","2.88442","0.00009","2.88442","0.00009","2.82371","0.00012","90","","90","","120","","20.3455","0.0012","","","473","","","","8785000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501531","2.87567","0.00009","2.87567","0.00009","2.81714","0.00012","90","","90","","120","","20.1752","0.0012","","","473","","","","12425000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501532","2.85839","0.00009","2.85839","0.00009","2.80429","0.00012","90","","90","","120","","19.8425","0.0012","","","473","","","","20177500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501533","2.85075","0.00009","2.85075","0.00009","2.79941","0.00012","90","","90","","120","","19.7022","0.0012","","","473","","","","23360000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501534","2.84482","0.00009","2.84482","0.00009","2.79406","0.00012","90","","90","","120","","19.5829","0.0012","","","473","","","","26550000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501535","2.83614","0.00013","2.83614","0.00013","2.78648","0.00013","90","","90","","120","","19.4107","0.0016","","","473","","","","30870000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501536","2.8957","0.00009","2.8957","0.00009","2.83321","0.00013","90","","90","","120","","20.5739","0.0013","","","673","","","","5057500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501537","2.88609","0.00009","2.88609","0.00009","2.82417","0.00012","90","","90","","120","","20.3724","0.0012","","","673","","","","9630000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501538","2.87688","0.00009","2.87688","0.00009","2.81777","0.00014","90","","90","","120","","20.1967","0.0013","","","673","","","","13045000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501539","2.8598","0.00009","2.8598","0.00009","2.8055","0.00012","90","","90","","120","","19.8707","0.0012","","","673","","","","20522500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501540","2.85203","0.00009","2.85203","0.00009","2.80076","0.00012","90","","90","","120","","19.7294","0.0012","","","673","","","","23685000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501541","2.84648","0.00009","2.84648","0.00009","2.79542","0.00012","90","","90","","120","","19.6153","0.0012","","","673","","","","26680000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501542","2.83895","0.00009","2.83895","0.00009","2.78842","0.00018","90","","90","","120","","19.4628","0.0015","","","673","","","","30832500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501543","16.8098","0.0013","10.8804","0.0009","40.022","0.003","90","","95.523","0.003","90","","7285.9","1","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 n 1","P -2yac","7","","","","- C178 H191 N O13 -","- C178 H191 N O13 -","- C356 H382 N2 O26 -","2","1","","Gagnon, Eric; Maris, Thierry; Wuest,James D","Triarylamines Designed to Form Molecular Glasses. Derivatives of Tris(p-terphenyl-4-yl)amine with Multiple Contiguous Phenyl Substituents","Organic Letters","2010","12","","404","407","10.1021/ol902841c","","","1.54178","CuKα","","0.0904","0.0798","","","0.2068","0.2188","","","","","","1.09","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501544","4.9653","0.0003","13.6703","0.0008","20.3533","0.0011","90","","95.949","0.003","90","","1374.08","0.14","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C33 H30 N2 O6 -","- C33 H30 N2 O6 -","- C66 H60 N4 O12 -","2","1","","Daniel J. St-Cyr; Thierry Maris; William D. Lubel","Crystal-State Structural Analysis of Beta-Hydroxy-gamma-Lactam Constrained SER/THR Peptidomimetics","Heterocycles","2010","82","","729","737","10.3987/COM-10-S(E)52","","","1.54178","CuKα","","0.0663","0.0486","","","0.1071","0.1143","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501545","14.1833","0.0003","6.0199","0.0001","14.6315","0.0003","90","","105.559","0.001","90","","1203.49","0.04","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 O6 -","- C26 H30 N2 O6 -","- C52 H60 N4 O12 -","2","1","","Daniel J. St-Cyr; Thierry Maris; William D. Lubel","Crystal-State Structural Analysis of Beta-Hydroxy-gamma-Lactam Constrained SER/THR Peptidomimetics","Heterocycles","2010","82","","729","737","10.3987/COM-10-S(E)52","","","1.54178","CuKα","","0.0477","0.0408","","","0.1027","0.1063","","","","","","1.055","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501546","8.0471","0.0004","10.3951","0.0005","11.689","0.0005","67.342","0.002","85.03","0.002","89.545","0.002","898.59","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C17 H26 N6 O2 -","- C17 H26 N6 O2 -","- C34 H52 N12 O4 -","2","1","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.0433","0.0422","","","0.1164","0.1177","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501547","50.606","0.004","7.9595","0.0007","14.0826","0.0012","90","","95.126","0.004","90","","5649.8","0.8","150","","150","","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 N6 O4 -","- C28 H40 N6 O4 -","- C224 H320 N48 O32 -","8","1","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.1332","0.0597","","","0.1367","0.1703","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501548","4.8615","0.0006","7.4585","0.0009","19.034","0.003","83.881","0.007","84.671","0.007","79.308","0.007","672.43","0.16","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C24 H40 N6 O4 -","- C24 H40 N6 O4 -","- C24 H40 N6 O4 -","1","0.5","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.1355","0.0632","","","0.1587","0.1975","","","","","","1.01","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501549","7.5805","0.0006","11.1838","0.0009","25.627","0.002","94.378","0.004","92.854","0.004","101.374","0.003","2119.1","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C26 H44 N6 O4 -","- C26 H44 N6 O4 -","- C78 H132 N18 O12 -","3","1.5","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.1419","0.0658","","","0.1651","0.2141","","","","","","1.008","","","","has coordinates,has disorder","256941","2020-10-21","18:00:00",""
"1501550","8.8653","0.0004","9.4282","0.0004","10.7014","0.0005","104.685","0.002","90.861","0.002","98.832","0.003","853.62","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C16 H24 N6 O2 -","- C16 H24 N6 O2 -","- C32 H48 N12 O4 -","2","1","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.0744","0.0701","","","0.1849","0.1955","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501551","58.554","0.007","7.9545","0.001","14.0407","0.0015","90","","102.299","0.005","90","","6389.6","1.3","150","","150","","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 N6 O4 -","- C32 H48 N6 O4 -","- C256 H384 N48 O32 -","8","1","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.1553","0.0981","","","0.2534","0.2954","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501552","8.612","0.005","13.909","0.005","15.522","0.005","104.233","0.005","98.682","0.005","92.148","0.005","1776.2","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 N4 O12 Sn -","- C32 H40 N4 O12 Sn -","- C64 H80 N8 O24 Sn2 -","2","1","","Okba Saied; Thierry Maris; Michel Simard; Wuest,James D","Tectonique Moléculaire: Stabilisation d'un polymorphe d'inclusion métastable","Journal de la Société Chimique de Tunisie","2009","11","","101","107","","","","1.54178","CuKα","","0.0693","0.0543","","","0.1436","0.1578","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501553","8.0656","0.0002","21.8175","0.0004","10.5558","0.0002","90","","93.691","0.001","90","","1853.66","0.07","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Ag Cl O4 S4 -","- C10 H24 Ag Cl O4 S4 -","- C40 H96 Ag4 Cl4 O16 S16 -","4","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.0292","0.0277","","","0.0784","0.0796","","","","","","1.098","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501554","8.0371","0.0002","21.6514","0.0006","10.4766","0.0003","90","","92.324","0.002","90","","1821.58","0.09","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Ag B F4 S4 -","- C10 H24 Ag B F4 S4 -","- C40 H96 Ag4 B4 F16 S16 -","4","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.055","0.0401","","","0.0887","0.093","","","","","","0.905","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501555","8.0541","0.0002","9.6501","0.0002","21.099","0.0005","90","","90","","90","","1639.87","0.07","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H18 Ag F3 O4 S3 -","- C9 H18 Ag F3 O4 S3 -","- C36 H72 Ag4 F12 O16 S12 -","4","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.045","0.0395","","","0.1165","0.1193","","","","","","1.063","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501556","18.1075","0.0004","7.9194","0.0002","18.0488","0.0004","90","","100.504","0.001","90","","2544.83","0.1","200","2","200","2","","","","","","","Synthesized by the authors. See text","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H12 Ag F6 S2 Sb -","- C5 H12 Ag F6 S2 Sb -","- C40 H96 Ag8 F48 S16 Sb8 -","8","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.0532","0.0467","","","0.1333","0.1369","","","","","","1.115","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501557","25.716","0.0009","7.8986","0.0003","9.9444","0.0004","90","","94.775","0.002","90","","2012.9","0.13","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 Ag2 O4 S2 -","- C19 H22 Ag2 O4 S2 -","- C76 H88 Ag8 O16 S8 -","4","0.5","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.0538","0.0513","","","0.127","0.1326","","","","","","1.078","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501558","7.6138","0.0009","16.0573","0.0019","19.894","0.002","90","","90","","90","","2432.2","0.5","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C7 H12 Ag F3 O2 S2 -","- C7 H12 Ag F2.925 O2 S2 -","- C56 H96 Ag8 F23.4 O16 S16 -","8","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.1477","0.0722","","","0.1666","0.2064","","","","","","0.923","","","","has coordinates,has disorder","256942","2020-10-21","18:00:00",""
"1501559","7.8429","0.0002","8.186","0.0002","12.5548","0.0003","78.115","0.001","74.271","0.001","77.759","0.001","748.72","0.03","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C9 H12 Ag F7 O2 S2 -","- C9 H12 Ag F7 O2 S2 -","- C18 H24 Ag2 F14 O4 S4 -","2","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.0657","0.0647","","","0.1719","0.1749","","","","","","1.056","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501560","7.6593","0.0004","8.315","0.0004","10","0.0004","112.09","0.002","107.066","0.002","94.179","0.002","551.93","0.05","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C7 H12 Ag F2 O2 S2 -","- C7 H12 Ag F2 O2 S2 -","- C14 H24 Ag2 F4 O4 S4 -","2","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.0482","0.0455","","","0.1141","0.1182","","","","","","1.045","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501561","10.4359","0.0002","23.9932","0.0004","25.6039","0.0004","90","","93.868","0.001","90","","6396.37","0.19","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H48 Ag6 F12 O12 S6 -","- C57 H48 Ag6 F12 O12 S6 -","- C228 H192 Ag24 F48 O48 S24 -","4","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris; Elias Said Dirieh","Four New Ag(I) Coordination Polymers: Synthesis, Crystal Structures and Thermal Stability","J. Inorg. Organomet. Polym.","2010","20","","816","824","10.1007/s10904-010-9407-0","","","1.54178","CuKα","","0.0414","0.0343","","","0.0871","0.0896","","","","","","1.013","","","","has coordinates","256944","2020-10-21","18:00:00",""
"1501562","17.4256","0.0002","24.3524","0.0003","14.9472","0.0002","90","","104.595","0.001","90","","6138.24","0.13","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H44 Ag5 F15 O17 S9 -","- C41 H44 Ag5 F15 O17 S9 -","- C164 H176 Ag20 F60 O68 S36 -","4","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris; Elias Said Dirieh","Four New Ag(I) Coordination Polymers: Synthesis, Crystal Structures and Thermal Stability","J. Inorg. Organomet. Polym.","2010","20","","816","824","10.1007/s10904-010-9407-0","","","1.54178","CuKα","","0.0614","0.0421","","","0.0984","0.1199","","","","","","0.82","","","","has coordinates","256944","2020-10-21","18:00:00",""
"1501563","8.3129","0.0002","21.554","0.0005","8.9118","0.0002","90","","110.39","0.001","90","","1496.73","0.06","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Ag O3 S3 -","- C13 H15 Ag O3 S3 -","- C52 H60 Ag4 O12 S12 -","4","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris; Elias Said Dirieh","Four New Ag(I) Coordination Polymers: Synthesis, Crystal Structures and Thermal Stability","J. Inorg. Organomet. Polym.","2010","20","","816","824","10.1007/s10904-010-9407-0","","","1.54178","CuKα","","0.0809","0.0646","","","0.1924","0.1988","","","","","","1.13","","","","has coordinates","256944","2020-10-21","18:00:00",""
"1501564","9.6877","0.0002","25.1542","0.0006","32.2345","0.0007","90","","96.929","0.001","90","","7797.7","0.3","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Ag10 N10 O30 S8 -","- C56 H56 Ag10 N10 O30 S8 -","- C224 H224 Ag40 N40 O120 S32 -","4","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris; Elias Said Dirieh","Four New Ag(I) Coordination Polymers: Synthesis, Crystal Structures and Thermal Stability","J. Inorg. Organomet. Polym.","2010","20","","816","824","10.1007/s10904-010-9407-0","","","1.54178","CuKα","","0.069","0.0412","","","0.0963","0.1051","","","","","","0.922","","","","has coordinates","256944","2020-10-21","18:00:00",""
"1501565","8.0049","0.0004","8.5815","0.0004","32.3805","0.0016","90","","90","","90","","2224.35","0.19","296","2","296","2","","","","","","","Synthesized by the authors. See text","2","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 -","- C16 H14 -","- C128 H112 -","8","2","","Hung Dang; Thierry Maris; Ji-Hyun Yi; Federico Rosei; Antonio Nancy; James D. Wuest","Ensuring Homology between 2D and 3D Molecular Crystals","Langmuir","2007","23","","11980","11985","10.1021/la702885y","","","1.54178","CuKα","","0.0461","0.0418","","","0.0906","0.0912","","","","","","1.118","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501566","9.7778","0.0002","9.7778","0.0002","14.0111","0.0005","90","","90","","90","","1339.54","0.06","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","P 43 21 2","P 4nw 2abw","96","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","0.5","","Hung Dang; Thierry Maris; Ji-Hyun Yi; Federico Rosei; Antonio Nancy; James D. Wuest","Ensuring Homology between 2D and 3D Molecular Crystals","Langmuir","2007","23","","11980","11985","10.1021/la702885y","","","1.54178","CuKα","","0.0564","0.0548","","","0.1349","0.1351","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501567","2.89827","0.00009","2.89827","0.00009","2.83315","0.00013","90","","90","","120","","20.61","0.0013","","","873","","","","5437500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501568","2.8866","0.00009","2.8866","0.00009","2.8243","0.00014","90","","90","","120","","20.3805","0.0014","","","873","","","","10052000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501569","2.87816","0.00009","2.87816","0.00009","2.81895","0.00014","90","","90","","120","","20.2231","0.0013","","","873","","","","13470000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501570","2.86093","0.00009","2.86093","0.00009","2.80662","0.00012","90","","90","","120","","19.8943","0.0012","","","873","","","","20935000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501571","2.85397","0.00009","2.85397","0.00009","2.8011","0.00012","90","","90","","120","","19.7587","0.0012","","","873","","","","24277500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501572","2.84777","0.00009","2.84777","0.00009","2.79727","0.00012","90","","90","","120","","19.646","0.0012","","","873","","","","27037500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501573","2.84075","0.00009","2.84075","0.00009","2.78931","0.00016","90","","90","","120","","19.4937","0.0014","","","873","","","","31232500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501574","2.89879","0.00009","2.89879","0.00009","2.83552","0.00013","90","","90","","120","","20.6346","0.0013","","","1073","","","","6082500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501575","2.88816","0.00009","2.88816","0.00009","2.82564","0.00012","90","","90","","120","","20.4122","0.0012","","","1073","","","","10370000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501576","2.88063","0.00009","2.88063","0.00009","2.82034","0.00014","90","","90","","120","","20.2678","0.0013","","","1073","","","","14042500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501577","2.86254","0.00009","2.86254","0.00009","2.80711","0.00012","90","","90","","120","","19.9202","0.0012","","","1073","","","","21605000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501578","2.85513","0.00009","2.85513","0.00009","2.80302","0.00012","90","","90","","120","","19.7883","0.0012","","","1073","","","","24780000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501579","2.84955","0.00009","2.84955","0.00009","2.79821","0.00012","90","","90","","120","","19.6772","0.0012","","","1073","","","","27320000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501580","2.84464","0.00009","2.84464","0.00009","2.79388","0.00012","90","","90","","120","","19.5791","0.0012","","","1073","","","","30240000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501581","2.89984","0.00009","2.89984","0.00009","2.83753","0.00013","90","","90","","120","","20.6642","0.0013","","","1273","","","","6627500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501582","2.89234","0.00009","2.89234","0.00009","2.82986","0.00012","90","","90","","120","","20.5019","0.0013","","","1273","","","","10102500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501583","2.88073","0.00009","2.88073","0.00009","2.82265","0.00014","90","","90","","120","","20.2858","0.0013","","","1273","","","","14622500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501584","2.86285","0.00009","2.86285","0.00009","2.81008","0.00012","90","","90","","120","","19.9456","0.0012","","","1273","","","","21965000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501585","2.85783","0.00009","2.85783","0.00009","2.8052","0.00012","90","","90","","120","","19.8412","0.0012","","","1273","","","","25382500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501586","2.85251","0.00009","2.85251","0.00009","2.80017","0.00012","90","","90","","120","","19.7319","0.0012","","","1273","","","","27812500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501587","2.84905","0.00009","2.84905","0.00009","2.79704","0.00012","90","","90","","120","","19.6621","0.0012","","","1273","","","","29417500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501588","2.9054","0.00009","2.9054","0.00009","2.84015","0.00013","90","","90","","120","","20.7627","0.0013","","","1473","","","","6060000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501589","2.89823","0.00009","2.89823","0.00009","2.83484","0.00013","90","","90","","120","","20.6217","0.0013","","","1473","","","","9107500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501590","2.88207","0.00009","2.88207","0.00009","2.82387","0.00012","90","","90","","120","","20.3135","0.0012","","","1473","","","","15405000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501591","2.86543","0.00009","2.86543","0.00009","2.81093","0.00012","90","","90","","120","","19.9876","0.0012","","","1473","","","","22660000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501592","2.85951","0.00009","2.85951","0.00009","2.80634","0.00012","90","","90","","120","","19.8726","0.0012","","","1473","","","","25870000","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501593","2.85474","0.00009","2.85474","0.00009","2.80138","0.00012","90","","90","","120","","19.7713","0.0012","","","1473","","","","28442500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501594","2.85294","0.00009","2.85294","0.00009","2.80009","0.00012","90","","90","","120","","19.7373","0.0012","","","1473","","","","29342500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501595","2.85683","0.00009","2.85683","0.00009","2.80223","0.00012","90","","90","","120","","19.8063","0.0012","","","1673","","","","29282500","","","","","2","P -6 m 2","P -6 2","187","","","","- C W -","- C W -","- C W -","1","0.0833333","","Litasov, Konstantin D.; Shatskiy, Anton; Fei, Yingwei; Suzuki, Akio; Ohtani, Eiji; Funakoshi, Kenichi","Pressure-volume-temperature equation of state of tungsten carbide to 32 GPa and 1673 K","Journal of Applied Physics","2010","108","5","","","10.1063/1.3481667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1501596","17.1474","0.0004","17.1474","0.0004","5.3885","0.0002","90","","90","","120","","1372.13","0.07","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P -3","-P 3","147","","","","- C24 H30 N3 O10 P -","- C24 H30 N3 O10 P -","- C48 H60 N6 O20 P2 -","2","0.333333","","Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest","Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets","Angew. Chem. Int. Ed.","2005","44","","4021","4025","10.1002/anie.200500198","","","1.54178","CuKα","","0.0773","0.0682","","","0.1984","0.2065","","","","","","1.071","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501597","16.9535","0.0008","16.9535","0.0008","5.2396","0.0003","90","","90","","120","","1304.21","0.11","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -3","-P 3","147","","","","- C21 H24 N3 O10 P -","- C21 H24 N3 O10 P -","- C42 H48 N6 O20 P2 -","2","0.333333","","Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest","Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets","Angew. Chem. Int. Ed.","2005","44","","4021","4025","10.1002/anie.200500198","","","1.54178","CuKα","","0.0841","0.0772","","","0.266","0.2729","","","","","","1.086","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501598","17.4823","0.0008","17.4823","0.0008","5.0683","0.0008","90","","90","","120","","1341.5","0.2","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -3","-P 3","147","","","","- C24 H24 N3 O10 P -","- C24 H24 N3 O10 P -","- C48 H48 N6 O20 P2 -","2","0.333333","","Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest","Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets","Angew. Chem. Int. Ed.","2005","44","","4021","4025","10.1002/anie.200500198","","","1.54178","CuKα","","0.1559","0.0956","","","0.2542","0.2886","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501599","11.8715","0.0003","11.8715","0.0003","40.004","0.002","90","","90","","90","","5637.9","0.3","226","2","226","2","","","","","","","Synthesized by the authors. See text","4","I -4","I -4","82","","","","- C109 H180 N24 O20 -","- C109 H180 N24 O20 -","- C218 H360 N48 O40 -","2","0.25","","Danielle Boils; Marie-Eve Perron; Francis Monchamp; Hugues Duval; Thierry Maris; James D. Wuest","Molecular Tectonics. Disruption of Self-Association in Melts Derived from Hydrogen-Bonded Solids","Macromolecules","2004","37","","7351","7357","10.1021/ma035977d","","","1.54178","CuKα","","0.0876","0.0868","","","0.2183","0.2195","","","","","","1.077","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501600","19.758","0.0012","10.8646","0.0007","36.649","0.002","90","","90.759","0.003","90","","7866.5","0.8","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P 1 2/c 1","-P 2yc","13","","","","- C136 H216 N30 O43 S4 -","- C80 H104 N30 O15 S4 -","- C160 H208 N60 O30 S8 -","2","0.5","","Laliberté, Dominic; Maris, Thierry; Sirois, Ariane; Wuest, James D.","Molecular Tectonics. Dendritic Construction of Porous Hydrogen-Bonded Networks","Organic Letters","2003","5","25","4787","4790","10.1021/ol035712j","","","1.54178","CuKα","","0.1337","0.097","","","0.2195","0.2326","","","","","","1.041","","","","has coordinates,has disorder","219237","2020-10-21","18:00:00",""
"1501601","14.1959","0.0019","14.724","0.002","17.312","0.002","67.503","0.003","67.112","0.004","88.948","0.004","3043.6","0.7","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C54 H66 O21 S6 -","- C54 H66 O21 S6 -","- C108 H132 O42 S12 -","2","1","","Laliberté, Dominic; Maris, Thierry; Sirois, Ariane; Wuest, James D.","Molecular Tectonics. Dendritic Construction of Porous Hydrogen-Bonded Networks","Organic Letters","2003","5","25","4787","4790","10.1021/ol035712j","","","1.54178","CuKα","","0.0929","0.0561","","","0.1391","0.1519","","","","","","1.038","","","","has coordinates,has disorder","219237","2020-10-21","18:00:00",""
"1501602","8.2094","0.0019","21.264","0.005","5.9988","0.0013","90","","90","","90","","1047.2","0.4","218","2","218","2","","","","","","","","4","P n m a","-P 2ac 2n","62","EB7721","","","- C14 H10 F N -","- C14 H10 F N -","- C56 H40 F4 N4 -","4","0.5","","Elliott, Emma-Claire; Bowkett, Elizabeth R.; Maggs, James L.; Bacsa, John; Park, B. Kevin; Regan, Sophie L.; O'Neill, Paul M; Stachulski, Andrew V.","Convenient syntheses of benzo-fluorinated dibenz[b,f]azepines: rearrangements of isatins, acridines, and indoles.","Organic letters","2011","13","20","5592","5595","10.1021/ol202318w","","","0.71073","MoKα","","0.0531","0.0359","","","0.0923","0.0989","","","","","","1.004","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501603","5.8749","0.0008","12.036","0.005","13.084","0.005","105.66","0.03","95.65","0.03","102.12","0.02","859.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 Cl2 N10 O -","- C10 H20 Cl2 N10 O -","- C20 H40 Cl4 N20 O2 -","2","1","","Olivier Lebel; Thierry Maris; James D. Wuest","Hydrogen-Bonded networks in crystals built from bis(biguanides) and their salts","Can J. Chem","2006","84","","1426","1433","10.1139/v06-115","","","1.54178","CuKα","","0.0463","0.0456","","","0.1109","0.111","","","","","","1.105","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501604","9.3537","0.0003","9.6015","0.0003","11.4402","0.0004","82.983","0.002","71.193","0.002","73.759","0.002","933.19","0.05","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C10 H24 Cl2 N10 O3 -","- C10 H24 Cl2 N10 O3 -","- C20 H48 Cl4 N20 O6 -","2","1","","Olivier Lebel; Thierry Maris; James D. Wuest","Hydrogen-Bonded networks in crystals built from bis(biguanides) and their salts","Can J. Chem","2006","84","","1426","1433","10.1139/v06-115","","","1.54178","CuKα","","0.0818","0.0745","","","0.2142","0.2351","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501605","10.0311","0.0016","10.882","0.0018","21.127","0.003","88.09","0.007","87.28","0.007","62.735","0.006","2047.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H18 N10 O -","- C10 H18 N10 O -","- C60 H108 N60 O6 -","6","3","","Olivier Lebel; Thierry Maris; James D. Wuest","Hydrogen-Bonded networks in crystals built from bis(biguanides) and their salts","Can J. Chem","2006","84","","1426","1433","10.1139/v06-115","","","1.54178","CuKα","","0.1294","0.06","","","0.0903","0.1012","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501606","9.9072","0.0003","10.1769","0.0003","11.0195","0.0005","77.297","0.002","67.906","0.002","65.826","0.002","936.32","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H24 N10 O5 -","- C13 H24 N10 O5 -","- C26 H48 N20 O10 -","2","1","","Olivier Lebel; Thierry Maris; James D. Wuest","Hydrogen-Bonded networks in crystals built from bis(biguanides) and their salts","Can J. Chem","2006","84","","1426","1433","10.1139/v06-115","","","1.54178","CuKα","","0.0699","0.0487","","","0.1277","0.1357","","","","","","0.942","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501607","9.627","0.005","4.9751","0.0005","35.2533","0.0005","90","","95.79","0.02","90","","1679.9","0.9","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl N5 -","- C14 H16 Cl N5 -","- C56 H64 Cl4 N20 -","4","1","","Olivier LeBel; Thierry Maris; Hugues Duval; James D. Wuest","A practical guide to arylbiguanides — Synthesis and structural characterization","Can. J. Chem.","2005","83","","615","625","10.1139/v05-093","","","1.54178","CuKα","","0.0652","0.0563","","","0.1784","0.1869","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501608","9.0317","0.0003","6.3945","0.0002","22.5874","0.0008","90","","99.588","0.002","90","","1286.27","0.07","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P 1 c 1","P -2yc","7","","","","- C14 H15 N5 -","- C14 H15 N5 -","- C56 H60 N20 -","4","2","","Olivier LeBel; Thierry Maris; Hugues Duval; James D. Wuest","A practical guide to arylbiguanides — Synthesis and structural characterization","Can. J. Chem.","2005","83","","615","625","10.1139/v05-093","","","1.54178","CuKα","","0.0745","0.0673","","","0.1525","0.1551","","","","","","1.024","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501609","11.649","0.0001","11.4547","0.0001","20.5132","0.0001","90","","95.89","","90","","2722.74","0.04","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H16 N4 S4 -","- C29 H16 N4 S4 -","- C116 H64 N16 S16 -","4","1","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.0711","0.0609","","","0.1727","0.181","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501610","24.9135","0.0008","24.9135","0.0008","7.1597","0.0002","90","","90","","90","","4443.9","0.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","I -4","I -4","82","","","","- C45 H56 N4 O10 -","- C45 H56 N4 O10 -","- C180 H224 N16 O40 -","4","0.5","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.1304","0.0688","","","0.1599","0.1795","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501611","17.7781","0.0002","17.7781","0.0002","7.1904","0.0001","90","","90","","90","","2272.6","0.05","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 42/n :2","-P 4bc","86","","","","- C44 H56 N4 O12 Si -","- C44 H56 N4 O12 Si -","- C88 H112 N8 O24 Si2 -","2","0.25","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.0879","0.0724","","","0.2024","0.216","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501612","17.2392","0.0003","17.2392","0.0003","17.3495","0.0003","90","","90","","90","","5156.1","0.16","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","I 41","I 4bw","80","","","","- C47 H64 N8 O8 -","- C47 H60 N8 O8 -","- C188 H240 N32 O32 -","4","0.5","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.1357","0.1089","","","0.2813","0.3059","","","","","","1.265","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501613","17.7201","0.0006","17.7201","0.0006","16.0845","0.0007","90","","90","","90","","5050.6","0.3","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","I 41","I 4bw","80","","","","- C55 H80 N4 O8 -","- C48 H56 N4 O8 -","- C192 H224 N16 O32 -","4","0.5","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.1946","0.1022","","","0.2493","0.2888","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501614","17.281","0.002","17.281","0.002","20.591","0.002","90","","90","","90","","6149.2","1.2","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -4 21 c","P -4 2n","114","","","","- C53 H80 N8 O16 y -","- C61 H83.84 N8 O8 S2 -","- C244 H335.36 N32 O32 S8 -","4","0.5","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.1589","0.0989","","","0.2505","0.2721","","","","","","1.249","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501615","10.633","0.003","12.528","0.003","14.729","0.003","90","0.02","91.62","0.04","90","0.03","1961.3","0.8","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cu F3 O6 -","- C21 H13 Cu F3 O6 -","- C84 H52 Cu4 F12 O24 -","4","1","","Fedor Valach; Miroslav Tokarčík; Thierry Maris; David J. Watkin; Keith Prout","Bond-valence approach to the copper-copper and copper-oxygen bonding in binuclear copper(II) complexes: Structure of tetrakis(2-fluorobenzoato-O,O')-bis (2-fluorobenzoate-O) dicopper(II)","Zeitschrift für Kristallographie - Crystalline Materials","2000","215","1","56","60","10.1524/zkri.2000.215.1.56","","","1.5418","CuKα","","","0.0448","","","0.0539","","","","","1.0574","1.0574","","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501616","11.1911","0.0009","13.9932","0.0011","24.378","0.002","84.436","0.005","83.004","0.005","68.693","0.005","3524.4","0.5","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C84 H66 N6 O12 -","- C84 H66 N6 O12 -","- C168 H132 N12 O24 -","2","1","","Eric Gagnon; Thierry Maris; Kenneth E. Maly; James D. Wuest","The potential of intermolecular N/O interactions of nitro groups in crystal engineering, as revealed by structures of hexakis(4-nitrophenyl)benzene","Tetrahedron","2007","63","","6603","6613","10.1016/j.tet.2007.03.101","","","1.54178","CuKα","","0.0734","0.065","","","0.1447","0.1465","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501617","11.533","0.002","13.037","0.003","14.014","0.003","105.1","0.03","108.37","0.03","110.42","0.03","1703.7","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H80 N6 O26 -","- C70 H80 N6 O26 -","- C70 H80 N6 O26 -","1","0.5","","Eric Gagnon; Thierry Maris; Kenneth E. Maly; James D. Wuest","The potential of intermolecular N/O interactions of nitro groups in crystal engineering, as revealed by structures of hexakis(4-nitrophenyl)benzene","Tetrahedron","2007","63","","6603","6613","10.1016/j.tet.2007.03.101","","","1.54178","CuKα","","0.0602","0.0567","","","0.1321","0.1327","","","","","","0.978","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501618","11.237","0.002","20.367","0.005","19.002","0.004","90","","102.048","0.011","90","","4253.1","1.6","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 N8 O12 -","- C46 H30 N8 O12 -","- C184 H120 N32 O48 -","4","0.5","","Eric Gagnon; Thierry Maris; Kenneth E. Maly; James D. Wuest","The potential of intermolecular N/O interactions of nitro groups in crystal engineering, as revealed by structures of hexakis(4-nitrophenyl)benzene","Tetrahedron","2007","63","","6603","6613","10.1016/j.tet.2007.03.101","","","1.54178","CuKα","","0.0652","0.0568","","","0.1281","0.1292","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501619","11.18","0.02","20.59","0.03","20.07","0.04","90","","104.74","0.07","90","","4468","14","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 N6 O14 -","- C48 H36 N6 O14 -","- C192 H144 N24 O56 -","4","0.5","","Eric Gagnon; Thierry Maris; Kenneth E. Maly; James D. Wuest","The potential of intermolecular N/O interactions of nitro groups in crystal engineering, as revealed by structures of hexakis(4-nitrophenyl)benzene","Tetrahedron","2007","63","","6603","6613","10.1016/j.tet.2007.03.101","","","1.54178","CuKα","","0.063","0.0542","","","0.1575","0.167","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501620","10.7355","0.001","13.931","0.0014","14.1161","0.0015","90","","98.039","0.006","90","","2090.4","0.4","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 N6 O14 -","- C46 H36 N6 O14 -","- C92 H72 N12 O28 -","2","0.5","","Eric Gagnon; Thierry Maris; Kenneth E. Maly; James D. Wuest","The potential of intermolecular N/O interactions of nitro groups in crystal engineering, as revealed by structures of hexakis(4-nitrophenyl)benzene","Tetrahedron","2007","63","","6603","6613","10.1016/j.tet.2007.03.101","","","1.54178","CuKα","","0.0863","0.0665","","","0.1376","0.1422","","","","","","0.832","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501621","11.6772","0.0013","17.9809","0.0019","11.9334","0.0013","90","","116.183","0.006","90","","2248.5","0.4","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C48 H38 N8 O14 -","- C48 H38 N8 O14 -","- C96 H76 N16 O28 -","2","1","","Eric Gagnon; Thierry Maris; Kenneth E. Maly; James D. Wuest","The potential of intermolecular N/O interactions of nitro groups in crystal engineering, as revealed by structures of hexakis(4-nitrophenyl)benzene","Tetrahedron","2007","63","","6603","6613","10.1016/j.tet.2007.03.101","","","1.54178","CuKα","","0.0838","0.0567","","","0.1329","0.1442","","","","","","1.154","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501622","9.087","0.002","7.699","0.002","7.792","0.002","90","","103.82","0.02","90","","529.4","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Cl4 N2 Pd -","- C4 H14 Cl4 N2 Pd -","- C8 H28 Cl8 N4 Pd2 -","2","0.5","","Thierry Maris; Georges Bravic; Nguyen Ba Chan; Jean-Michel Leger; Jean-Claude Bissey; Antoine Villesuzanne; Ridha Zouari; Abdelaziz Daoud","Structures and thermal behavior in the series of two-dimensional molecular composites NH~3~-(CH~2~)~4~-NH~3~ MCl~4~ related to the nature of the metal M. Part 1 : Crystal structure and phase transition in the case M=Cu and Pd.","J. Phys. Chem. Solids","1996","57","","1963","1975","10.1016/S0022-3697(96)00045-5","","x-ray","0.71073","MoKα","","","0.0178","","","0.022","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501623","10.419","0.003","7.442","0.001","7.225","0.005","90","","93.46","0.04","90","","559.2","0.4","","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Cl4 Cu N2 -","- C4 H14 Cl4 Cu N2 -","- C8 H28 Cl8 Cu2 N4 -","2","0.5","","Thierry Maris; Georges Bravic; Nguyen Ba Chan; Jean-Michel Leger; Jean-Claude Bissey; Antoine Villesuzanne; Ridha Zouari; Abdelaziz Daoud","Structures and thermal behavior in the series of two-dimensional molecular composites NH~3~-(CH~2~)~4~-NH~3~ MCl~4~ related to the nature of the metal M. Part 1 : Crystal structure and phase transition in the case M=Cu and Pd.","J. Phys. Chem. Solids","1996","57","","1963","1975","10.1016/S0022-3697(96)00045-5","","x-ray","1.54178","CuKα","","","0.042","","","0.0812","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501624","23.0674","0.0006","23.0674","0.0006","16.1892","0.0006","90","","90","","90","","8614.4","0.4","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C85 H116 N24 O12 -","- C85 H116 N24 O12 -","- C340 H464 N96 O48 -","4","0.25","","Philippe Brunet; Eric Demers; Thierry Maris; Gary D. Enright; James D. Wuest","Designing Permeable Molecular Crystals That React with External Agents To Give Crystalline Products","Angewandte Chemie International Edition","2003","42","","5303","5306","10.1002/anie.200352252","","","0.71073","MoKα","","0.0974","0.0795","","","0.2306","0.2493","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501625","20.988","0.002","20.988","0.002","16.816","0.003","90","","90","","90","","7407.4","1.7","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C64.2 H80.8 N24 S3.2 -","- C71.2488 H80.4192 N24 S3.1048 -","- C284.995 H321.677 N96 S12.4192 -","4","0.25","","Philippe Brunet; Eric Demers; Thierry Maris; Gary D. Enright; James D. Wuest","Designing Permeable Molecular Crystals That React with External Agents To Give Crystalline Products","Angewandte Chemie International Edition","2003","42","","5303","5306","10.1002/anie.200352252","","","0.71073","MoKα","","0.2324","0.121","","","0.333","0.3894","","","","","","1.306","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501626","23.233","0.016","23.233","0.016","16.274","0.017","90","","90","","90","","8784","13","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C46 H30 N12 S -","- C36.6 H32.54 N12 S0.94 -","- C292.8 H260.32 N96 S7.52 -","8","0.5","","Philippe Brunet; Eric Demers; Thierry Maris; Gary D. Enright; James D. Wuest","Designing Permeable Molecular Crystals That React with External Agents To Give Crystalline Products","Angewandte Chemie International Edition","2003","42","","5303","5306","10.1002/anie.200352252","","","0.71073","MoKα","","0.2278","0.1888","","","0.4321","0.4611","","","","","","1.766","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501627","9.9532","0.0003","9.9532","0.0003","26.7005","0.0011","90","","90","","90","","2645.12","0.16","293","2","293","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C30 H40 In N3 O14 -","- C22 H10 In O8 -","- C44 H20 In2 O16 -","2","0.125","","Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin","Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange","Faraday Discussions","2011","151","","19","","10.1039/c1fd00006c","","","0.71073","MoKα","","0.0805","0.0621","","","0.167","0.174","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501628","9.9617","0.0004","9.9617","0.0004","26.747","0.002","90","","90","","90","","2654.3","0.2","293","2","293","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C32 H38 In N3 O12 -","- C24 H12 In O8 -","- C48 H24 In2 O16 -","2","0.125","","Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin","Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange","Faraday Discussions","2011","151","","19","","10.1039/c1fd00006c","","","0.71073","MoKα","","0.178","0.0818","","","0.173","0.189","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501629","19.807","0.005","19.807","0.005","53.454","0.009","90","","90","","90","","20971","8","120","2","120","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C30 H36 F4 In N3 O14 -","- C22 H6 F4 In O8 -","- C352 H96 F64 In16 O128 -","16","0.5","","Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin","Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange","Faraday Discussions","2011","151","","19","","10.1039/c1fd00006c","","","0.6943","synchrotron","","0.0685","0.0548","","","0.168","0.177","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501630","9.9617","0.0004","9.9617","0.0004","26.747","0.002","90","","90","","90","","2654.3","0.2","293","2","293","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C34 H36 In N3 O12 -","- C26 H10 In O8 -","- C52 H20 In2 O16 -","2","0.125","","Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin","Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange","Faraday Discussions","2011","151","","19","","10.1039/c1fd00006c","","","0.71073","MoKα","","0.0908","0.0458","","","0.098","0.105","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501631","9.264","0.003","7.593","0.004","7.577","0.004","90","","103.11","0.05","90","","519.1","0.4","","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Cl4 Cu N2 -","- C4 H14 Cl4 Cu N2 -","- C8 H28 Cl8 Cu2 N4 -","2","0.5","","Thierry Maris; NGuyen Ba Chanh; Jean-Claude Bissey; Nathalie Filloleau; Serge Flandrois; Ridha Zouari; Abdelaziz Daoud","Phase Transitions in a Two-Dimensional Molecular Complex NH~3~-(CH~2~)~4~-NH~3~ CuC1~4~","Phase Transition","1998","66","","81","98","10.1080/01411599808222119","","","1.5418","CuKα","","","0.0856","","","0.1042","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501632","8.9906","0.00014","8.9906","0.00014","6.648","0.00011","90","","90","","90","","537.364","0.015","100","1","100","1","","","","","","","","4","I -4 2 m","I -4 2","121","strontium copper borate","","","- B2 Cu2 O6 Sr -","- B2 Cu2 O6 Sr -","- B8 Cu8 O24 Sr4 -","4","0.25","","Sparta, K; Redhammer, G J; Roussel, P; Heger, G; Roth, G; Lemmens, P; Ionescu, A; Grove, M; Guentherodt, G; Huehning, F; Lueken, H; Kageyama, H.; Onizuka, K; Ueda, Y","Structural phase transition in the 2D spin dimer compound SrCu2(BO3)2","The European Physical Journal B","2001","19","","507-516","","","","","0.71069","MoKα","","0.0177","0.0175","","","0.0402","0.0402","","","","","","1.989","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00",""
"1501633","9.005","0.002","9.005","0.002","6.647","0.002","90","","90","","90","","539","0.2","423","2","423","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","strontium copper borate","","","- B2 Cu2 O6 Sr -","- B2 Cu2 O6 Sr -","- B8 Cu8 O24 Sr4 -","4","0.125","","Sparta, K; Redhammer, G J; Roussel, P; Heger, G; Roth, G; Lemmens, P; Ionescu, A; Grove, M; Guentherodt, G; Huehning, F; Lueken, H; Kageyama, H.; Onizuka, K; Ueda, Y","Structural phase transition in the 2D spin dimer compound SrCu2(BO3)2","The European Physical Journal B","2001","19","","507-516","","","","","0.71069","MoKα","","0.0155","0.0154","","","0.0399","0.0399","","","","","","1.984","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00",""
"1501634","17.9167","0.0007","6.2563","0.0002","21.1871","0.0008","90","","107.512","0.002","90","","2264.84","0.14","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O2 S -","- C26 H26 N2 O2 S -","- C104 H104 N8 O8 S4 -","4","1","","M. Amine Fourati; Thierry Maris; William G. Skene; C. Géraldine Bazuin; Robert E. Prud'homme","Photophysical, Electrochemical and Crystallographic Investigations of the Fluorophore 2,5-Bis(5-tert-butyl-benzoxazol-2-yl)thiophene","The Journal of Physical Chemistry B","2011","115","","12362","12369","10.1021/jp207136k","","","1.54178","CuKα","","0.068","0.0509","","","0.1277","0.139","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501635","10.0693","0.0007","13.9976","0.0007","16.2481","0.0008","90","","90","","90","","2290.1","0.2","295","","295","","","","","","","","Synthesized by the authors. See text","3","A b a 2","A 2 -2ab","41","","","","- C25 H12 Br4 -","- C25 H12 Br4 -","- C100 H48 Br16 -","4","","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0433","0.0424","","","0.1009","0.1011","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501636","13.5519","0.0002","13.5519","0.0002","10.7761","0.0004","90","","90","","90","","1979.07","0.08","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","P 42/n :2","-P 4bc","86","","","","- C29 H16 Br16 -","- C29 H16 Br16 -","- C58 H32 Br32 -","2","0.25","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0262","0.0262","","","0.0672","0.0672","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501637","19.2957","0.001","13.8813","0.0008","20.0269","0.001","90","","94.857","0.002","90","","5344.9","0.5","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 Br6 -","- C27 H18 Br6 -","- C216 H144 Br48 -","8","2","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0477","0.0427","","","0.1076","0.1119","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501638","10.384","0.0004","17.969","0.0007","11.188","0.0003","90","","90.38","0.002","90","","2087.52","0.13","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br2 -","- C26 H18 Br2 -","- C104 H72 Br8 -","4","1","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","0.71073","MoKα","","0.0788","0.0432","","","0.0942","0.1138","","","","","","1.041","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501639","10.4523","0.0002","17.8465","0.0003","11.039","0.0002","90","","90.004","0.001","90","","2059.18","0.06","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Br -","- C27 H21 Br -","- C108 H84 Br4 -","4","1","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0339","0.0332","","","0.0897","0.0905","","","","","","1.068","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501640","17.865","0.003","19.788","0.003","16.886","0.005","90","","112.641","0.018","90","","5509","2","295","2","295","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Br4 Cl2 N4 -","- C26 H18 Br4 Cl2 N4 -","- C208 H144 Br32 Cl16 N32 -","8","1","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0717","0.0653","","","0.1925","0.2004","","","","","","1.082","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501641","8.3329","0.0001","6.9106","0.0001","17.068","0.0003","90","","94.18","0.001","90","","980.25","0.03","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H12 Ag N O3 S2 -","- C5 H12 Ag N O3 S2 -","- C20 H48 Ag4 N4 O12 S8 -","4","1","","Mohamed Osman Awaleh; Idriss Guirreh Farah; Elias Said Dirieh; Thierry Maris; Samatar Mohamed Bouh","Synthesis, crystal structures and thermal analysis of two new coordination polymers.","Comptes Rendus Chimie","2011","14","","991","996","10.1016/j.crci.2011.06.002","","","1.54178","CuKα","","0.0468","0.0401","","","0.0997","0.1314","","","","","","1.19","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501642","8.003","0.0002","20.5242","0.0004","15.8557","0.0003","90","","93.532","0.001","90","","2599.43","0.1","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Ag2 F10 O4 S4 -","- C16 H24 Ag2 F10 O4 S4 -","- C64 H96 Ag8 F40 O16 S16 -","4","1","","Mohamed Osman Awaleh; Idriss Guirreh Farah; Elias Said Dirieh; Thierry Maris; Samatar Mohamed Bouh","Synthesis, crystal structures and thermal analysis of two new coordination polymers.","Comptes Rendus Chimie","2011","14","","991","996","10.1016/j.crci.2011.06.002","","","1.54178","CuKα","","0.027","0.0247","","","0.0627","0.0638","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501643","7.944","0.002","7.772","0.005","19.761","0.008","90","","94.84","0.03","90","","1215.7","1","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Cl4 N2 Pb -","- C8 H28 Cl8 N4 Pb2 -","- C16 H56 Cl16 N8 Pb4 -","2","0.5","","Christian Courseille; NGuyen Ba Chanh; Thierry Maris; Abdelaziz Daoud; Younes Abid; Michel Laguerre","Crystal structure and phase transition in the perovskite-type layer molecular composite NH~3~-(CH~2~)~4~-NH~3~ PbC1~4~","Physica Statu Solidi A","1994","143","","203","214","10.1002/pssa.2211430202","","","","","","","","","","","","","","","","","","","","","has coordinates","188516","2020-10-21","18:00:00",""
"1501644","10.3277","0.0019","13.405","0.002","13.648","0.002","92.13","0.011","106.824","0.012","95.885","0.012","1794.6","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C17 H26 N6 O2 -","- C17 H26 N6 O2 -","- C68 H104 N24 O8 -","4","2","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.1584","0.087","","","0.2091","0.2563","","","","","","1.004","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501645","8.2787","0.0006","12.8802","0.001","21.4315","0.0018","90","","94.937","0.007","90","","2276.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[CoCl(dmgH)2(C5H4N-PO3Et2)]","","","- C17 H28 Cl Co N5 O7 P -","- C17 H28 Cl Co N5 O7 P -","- C68 H112 Cl4 Co4 N20 O28 P4 -","4","1","","Lakadamyali, Fezile; Kato, Masaru; Reisner, Erwin","Colloidal metal oxide particles loaded with synthetic catalysts for solar H2 production","Faraday Discussions","2012","155","","191","","10.1039/c1fd00077b","","","0.71073","MoKα","","0.0515","0.0319","","","0.0662","0.0685","","","","","","0.896","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501646","9.2173","0.0005","9.9916","0.0008","22.5665","0.0017","90","","90","","90","","2078.3","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Cl N O4 -","- C26 H20 Cl N O4 -","- C104 H80 Cl4 N4 O16 -","4","1","","Kotani, Hiroaki; Ohkubo, Kei; Fukuzumi, Shunichi","Formation of a long-lived electron-transfer state of a naphthalene–quinolinium ion dyad and the π-dimer radical cation","Faraday Discussions","2012","155","","89","","10.1039/c1fd00084e","","","0.7107","MoKα","","0.0798","0.0653","","","0.1852","0.2084","","","","","","1.109","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501647","44.6606","0.0012","13.7072","0.0004","29.2555","0.0008","90","","98.463","0.001","90","","17714.4","0.9","100","0.2","100","0.2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H81 Br4 N3 P6 Re3 S4 -","- C84 H72 Br4 N3 P6 Re3 S4 -","- C672 H576 Br32 N24 P48 Re24 S32 -","8","1","","Sergey Konchenko; Rosa Llusar; Pavel Petrov; Aleksandr Virovets; Artem Bogomyakov; Carlos Gomez Garcia; Victor Polo","Synthesis, molecular and electronic structure of an incomplete cuboidal Re3S4 cluster with an unusual quadruplet ground state","Che. Commun.","2012","48","","2713","","10.1039/c2cc17287a","","","0.71073","MoKα","","0.0473","0.0339","","","0.0915","0.0976","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501648","13.6395","0.0003","15.3991","0.0003","22.8431","0.0005","80.532","0.001","72.639","0.001","83.432","0.001","4506.04","0.17","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C82.5 H81 Br2.6 Cl10.4 P6 Re3 S4 -","- C82.5 H72 Br2.599 Cl10.4 P6 Re3 S4 -","- C165 H144 Br5.198 Cl20.8 P12 Re6 S8 -","2","1","","Sergey Konchenko; Rosa Llusar; Pavel Petrov; Aleksandr Virovets; Artem Bogomyakov; Carlos Gomez Garcia; Victor Polo","Synthesis, molecular and electronic structure of an incomplete cuboidal Re3S4 cluster with an unusual quadruplet ground state","Che. Commun.","2012","48","","2713","","10.1039/c2cc17287a","","","0.71073","MoKα","","0.0761","0.0497","","","0.1151","0.129","","","","","","1.059","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1501649","10.516","0.002","13.136","0.003","42.764","0.009","90","","94.45","0.01","90","","5890","2","303","1","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 Eu K N12 O12 Ru2 -","- C44 H50 Eu K N12 O12 Ru2 -","- C176 H200 Eu4 K4 N48 O48 Ru8 -","4","1","","Chow, Cheuk-Fai; Kong, Hoi-Kuan; Leung, Shu-Wai; Chiu, Brenda K. W.; Koo, Chi-Kin; Lei, Elva N. Y.; Lam, Michael H. W.; Wong, Wing-Tak; Wong, Wai-Yeung","Heterobimetallic Ru(II)-Eu(III) complex as chemodosimeter for selective biogenic amine odorants detection in fish sample.","Analytical chemistry","2011","83","1","289","296","10.1021/ac102393f","","","0.7107","MoKα","","","0.068","","","","0.096","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501650","10.8636","0.0002","14.0746","0.0002","12.4274","0.0003","90","","109.674","0.002","90","","1789.23","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dinitrobenzonitrile and pyrene","","- C23 H13 N3 O4 -","- C23 H13 N3 O4 -","- C92 H52 N12 O16 -","4","1","","Vaiyapuri, Rajendran; Greenland, Barnaby W.; Elliott, Joanne M.; Hayes, Wayne; Bennett, Roger A.; Cardin, Christine J.; Colquhoun, Howard M.; Etman, Haitham; Murray, Claire A.","Pyrene-modified quartz crystal microbalance for the detection of polynitroaromatic compounds.","Analytical chemistry","2011","83","16","6208","6214","10.1021/ac200755c","","","1.5418","CuKα","","0.0392","0.0361","","0.1217","0.1157","0.1217","","","","","","1.0322","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501651","13.874","0.003","20.663","0.002","7.3166","0.0015","90","","101.44","0.02","90","","2055.8","0.7","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 B10 Fe O S2 -","- C15 H20 B10 Fe O S2 -","- C60 H80 B40 Fe4 O4 S8 -","4","1","","Wu, Chunhui; Ye, Hongde; Bai, Wenjuan; Li, Qingning; Guo, Dadong; Lv, Gang; Yan, Hong; Wang, Xuemei","New potential anticancer agent of carborane derivatives: selective cellular interaction and activity of ferrocene-substituted dithio-o-carborane conjugates.","Bioconjugate chemistry","2011","22","1","16","25","10.1021/bc100158b","","","0.71073","MoKα","","0.0848","0.0539","","","0.1139","0.1255","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501652","20.463","0.004","8.495","0.0017","12.692","0.003","90","","107.52","0.03","90","","2103.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 Al F N3 O7 -","- C19 H27 Al F N3 O7 -","- C76 H108 Al4 F4 N12 O28 -","4","1","","D'Souza, Christopher A; McBride, William J.; Sharkey, Robert M.; Todaro, Louis J.; Goldenberg, David M.","High-yielding aqueous 18F-labeling of peptides via Al18F chelation.","Bioconjugate chemistry","2011","22","9","1793","1803","10.1021/bc200175c","","","0.71073","MoKα","","0.1023","0.0601","","","0.1181","0.1374","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501653","13.0342","0.001","12.2529","0.0012","13.7875","0.0011","90","","97.983","0.009","90","","2180.6","0.3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-diaminoanthraquinone","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","1","","Jacquemin, Denis; Brémond, Eric; Planchat, Aurélien; Ciofini, Ilaria; Adamo, Carlo","TD-DFT Vibronic Couplings in Anthraquinones: From Basis Set and Functional Benchmarks to Applications for Industrial Dyes","Journal of Chemical Theory and Computation","2011","7","6","1882","","10.1021/ct200259k","","","0.71069","MoKα","","0.1372","0.0741","","","0.135","0.1665","","","","2.02","2.02","1.93","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501654","9.4619","0.0012","7.4691","0.001","11.374","0.0015","90","","97.412","0.001","90","","797.11","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Plutonium doped potassium borate","","","- B5 H4 K0.99 O10 -","- B5 H4 K0.98 O10 -","- B20 H16 K3.92 O40 -","4","1","","Wang, Shuao; Diwu, Juan; Simonetti, Antonio; Booth, Corwin H.; Albrecht-Schmitt, Thomas E","Interstitial incorporation of plutonium into a low-dimensional potassium borate.","Environmental science & technology","2011","45","21","9457","9463","10.1021/es2028247","","","0.71073","MoKα","","0.0495","0.0423","","","0.1083","0.1127","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501655","8.8542","0.0008","8.1328","0.0007","10.5772","0.0009","90","","106.403","0.001","90","","730.66","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H13 N3 O2 -","- C5 H13 N3 O2 -","- C20 H52 N12 O8 -","4","1","","Harper, Naomi D.; Nizio, Katie D.; Hendsbee, Arthur D.; Masuda, Jason D.; Robertson, Katherine N.; Murphy, Luke J.; Johnson, Michel B.; Pye, Cory C.; Clyburne, Jason A. C.","Survey of Carbon Dioxide Capture in Phosphonium-Based Ionic Liquids and End-Capped Polyethylene Glycol Using DETA (DETA = Diethylenetriamine) as a Model Absorbent§","Industrial & Engineering Chemistry Research","2011","50","5","2822","","10.1021/ie101734h","","","0.71073","MoKα","","0.0673","0.0471","","","0.0992","0.1089","","","","","","1.128","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501656","10.323","0.0018","11.261","0.002","16.139","0.003","89.022","0.003","71.794","0.002","66.99","0.002","1628.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 Co N15 O -","- C36 H26 Co N15 O -","- C72 H52 Co2 N30 O2 -","2","1","","Li, Bing; Wei, Qing; Yang, Qi; Chen, Sanping; Gao, Shengli","Synthesis, Structure, and Thermophysical Properties of an Energetic Complex Co(3-(2-pyridyl)-5-(3′-pyridyl)-1H-1,2,4-triazole)3·H2O","Journal of Chemical & Engineering Data","2011","56","7","3043","","10.1021/je2000364","","","0.71073","MoKα","","0.1315","0.0633","","","0.1541","0.1971","","","","","","0.956","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501657","11.724","0.002","9.2465","0.0018","15.567","0.003","90","","95.26","0.03","90","","1680.4","0.5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N4 O2 S -","- C16 H20 N4 O2 S -","- C64 H80 N16 O8 S4 -","4","1","","Wang, Huan; Yang, Zhikun; Fan, Zhijin; Wu, Qingjun; Zhang, Youjun; Mi, Na; Wang, Shouxin; Zhang, Zhengcai; Song, Haibin; Liu, Feng","Synthesis and insecticidal activity of N-tert-butyl-N,N'-diacylhydrazines containing 1,2,3-thiadiazoles.","Journal of agricultural and food chemistry","2011","59","2","628","634","10.1021/jf104004q","","","0.71073","MoKα","","0.0678","0.0547","","","0.1246","0.1317","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501658","16.4438","0.0017","10.2569","0.0011","11.1264","0.0012","90","","104.256","0.002","90","","1818.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl3 N6 O2 -","- C16 H13 Cl3 N6 O2 -","- C64 H52 Cl12 N24 O8 -","4","1","","Ye, Zhenjun; Xia, Shuang; Shao, Xusheng; Cheng, Jiagao; Xu, Xiaoyong; Xu, Zhiping; Li, Zhong; Qian, Xuhong","Design, synthesis, crystal structure analysis, and insecticidal evaluation of phenylazoneonicotinoids.","Journal of agricultural and food chemistry","2011","59","19","10615","10623","10.1021/jf2029708","","","0.71073","MoKα","","0.0659","0.051","","","0.1347","0.1448","","","","","","0.985","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501659","15.867","0.002","7.9286","0.0011","15.923","0.002","90","","113.221","0.002","90","","1840.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cl N6 O2 -","- C18 H19 Cl N6 O2 -","- C72 H76 Cl4 N24 O8 -","4","1","","Ye, Zhenjun; Xia, Shuang; Shao, Xusheng; Cheng, Jiagao; Xu, Xiaoyong; Xu, Zhiping; Li, Zhong; Qian, Xuhong","Design, synthesis, crystal structure analysis, and insecticidal evaluation of phenylazoneonicotinoids.","Journal of agricultural and food chemistry","2011","59","19","10615","10623","10.1021/jf2029708","","","0.71073","MoKα","","0.0698","0.0526","","","0.1343","0.1446","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501660","11.2339","0.0002","11.6808","0.0003","16.4783","0.0005","90","","90","","90","","2162.3","0.09","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C104 H104 N8 O8 -","4","1","","Trapella, Claudio; Pela, Michela; Del Zoppo, Luisa; Calo, Girolamo; Camarda, Valeria; Ruzza, Chiara; Cavazzini, Alberto; Costa, Valentina; Bertolasi, Valerio; Reinscheid, Rainer K.; Salvadori, Severo; Guerrini, Remo","Synthesis and separation of the enantiomers of the neuropeptide S receptor antagonist (9R/S)-3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide (SHA 68).","Journal of medicinal chemistry","2011","54","8","2738","2744","10.1021/jm200138r","","","0.71073","MoKα","","0.0527","0.0365","","","0.0813","0.0904","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501661","8.6598","0.0004","21.3183","0.001","23.6397","0.001","90","","90","","90","","4364.2","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H36 Br4 N2 O7 -","- C46 H36 Br4 N2 O7 -","- C184 H144 Br16 N8 O28 -","4","1","","Magedov, Igor V.; Frolova, Liliya; Manpadi, Madhuri; Bhoga, Uma devi; Tang, Hong; Evdokimov, Nikolai M.; George, Olivia; Georgiou, Kathy Hadje; Renner, Steffen; Getlik, Matthäus; Kinnibrugh, Tiffany L.; Fernandes, Manuel A.; Van slambrouck, Severine; Steelant, Wim F. A.; Shuster, Charles B.; Rogelj, Snezna; van Otterlo, Willem A. L.; Kornienko, Alexander","Anticancer properties of an important drug lead podophyllotoxin can be efficiently mimicked by diverse heterocyclic scaffolds accessible via one-step synthesis.","Journal of medicinal chemistry","2011","54","12","4234","4246","10.1021/jm200410r","","","0.71073","MoKα","","0.0767","0.0467","","","0.1127","0.1245","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501662","13.6739","0.0008","17.3161","0.0011","14.9225","0.0009","90","","98.051","0.001","90","","3498.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","15","","","- C18 H18 N4 O4 S -","- C18 H18 N4 O4 S -","- C144 H144 N32 O32 S8 -","8","2","","Hall, Matthew D.; Brimacombe, Kyle R.; Varonka, Matthew S.; Pluchino, Kristen M.; Monda, Julie K.; Li, Jiayang; Walsh, Martin J.; Boxer, Matthew B.; Warren, Timothy H.; Fales, Henry M.; Gottesman, Michael M.","Synthesis and structure-activity evaluation of isatin-β-thiosemicarbazones with improved selective activity toward multidrug-resistant cells expressing P-glycoprotein.","Journal of medicinal chemistry","2011","54","16","5878","5889","10.1021/jm2006047","","","0.71073","MoKα","","0.0802","0.0449","","","0.0955","0.1052","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501663","16.7856","0.0009","5.4114","0.0003","16.1237","0.0008","90","","100.73","0.001","90","","1438.97","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6","","","- C16 H14 N4 O S -","- C16 H14 N4 O S -","- C64 H56 N16 O4 S4 -","4","1","","Hall, Matthew D.; Brimacombe, Kyle R.; Varonka, Matthew S.; Pluchino, Kristen M.; Monda, Julie K.; Li, Jiayang; Walsh, Martin J.; Boxer, Matthew B.; Warren, Timothy H.; Fales, Henry M.; Gottesman, Michael M.","Synthesis and structure-activity evaluation of isatin-β-thiosemicarbazones with improved selective activity toward multidrug-resistant cells expressing P-glycoprotein.","Journal of medicinal chemistry","2011","54","16","5878","5889","10.1021/jm2006047","","","0.71073","MoKα","","0.0403","0.0332","","","0.0818","0.0854","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501664","6.5913","0.0008","15.0012","0.0018","20.319","0.003","90","","90","","90","","2009.1","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Br N O4 Si -","- C17 H24 Br N O4 Si -","- C68 H96 Br4 N4 O16 Si4 -","4","1","","Xin, Qisheng; Fan, Houxing; Guo, Bin; He, Huili; Gao, Suo; Wang, Hui; Huang, Yanqin; Yang, Yushe","Design, synthesis, and structure-activity relationship studies of highly potent novel benzoxazinyl-oxazolidinone antibacterial agents.","Journal of medicinal chemistry","2011","54","21","7493","7502","10.1021/jm200614t","","","0.71073","MoKα","","0.0636","0.0413","","","0.0824","0.0867","","","","","","0.825","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501665","8.1141","0.0006","10.4273","0.0008","22.6565","0.0017","90","","108.576","0.001","90","","1817.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl2 F N4 O -","- C18 H17 Cl2 F N4 O -","- C72 H68 Cl8 F4 N16 O4 -","4","1","","Yu, Wenquan; Goddard, Cally; Clearfield, Elizabeth; Mills, Courtney; Xiao, Tong; Guo, Haitao; Morrey, John D.; Motter, Neil E.; Zhao, Kang; Block, Timothy M.; Cuconati, Andrea; Xu, Xiaodong","Design, synthesis, and biological evaluation of triazolo-pyrimidine derivatives as novel inhibitors of hepatitis B virus surface antigen (HBsAg) secretion.","Journal of medicinal chemistry","2011","54","16","5660","5670","10.1021/jm200696v","","","0.71073","MoKα","","0.0576","0.0492","","","0.1046","0.1084","","","","","","1.156","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501666","8.1766","0.0004","10.4313","0.0004","23.7612","0.001","90","","90","","90","","2026.65","0.15","150","0.2","150","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 F3 N O3 -","- C21 H30 F3 N O3 -","- C84 H120 F12 N4 O12 -","4","1","","Woods, James R.; Mo, Huaping; Bieberich, Andrew A.; Alavanja, Tanja; Colby, David A.","Fluorinated amino-derivatives of the sesquiterpene lactone, parthenolide, as (19)f NMR probes in deuterium-free environments.","Journal of medicinal chemistry","2011","54","22","7934","7941","10.1021/jm201114t","","","1.54184","CU-Kα","","0.041","0.039","","","0.096","0.098","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501667","9.0566","0.0011","12.7489","0.0016","12.9111","0.0016","110.172","0.003","103.14","0.003","105.713","0.003","1259.3","0.3","223.1","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cl N4 O6 -","- C24 H21 Cl N4 O6 -","- C48 H42 Cl2 N8 O12 -","2","1","","Bollini, Mariela; Domaoal, Robert A.; Thakur, Vinay V.; Gallardo-Macias, Ricardo; Spasov, Krasimir A.; Anderson, Karen S.; Jorgensen, William L.","Computationally-guided optimization of a docking hit to yield catechol diethers as potent anti-HIV agents.","Journal of medicinal chemistry","2011","54","24","8582","8591","10.1021/jm201134m","","","0.71075","MoKα","","","0.0794","","","","0.2198","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501668","12.1445","0.0005","13.1978","0.0006","14.8062","0.0007","110.115","0.001","106.619","0.001","90.128","0.001","2121.92","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 Cl Eu N2 O11 -","- C42 H48 Cl Eu N2 O11 -","- C84 H96 Cl2 Eu2 N4 O22 -","2","1","","Huang, Xiaoguang; Wang, Qin; Yan, Xuhuan; Xu, Jun; Liu, Weisheng; Wang, Qing; Tang, Yu","Encapsulating a Ternary Europium Complex in a Silica/Polymer Hybrid Matrix for High Performance Luminescence Application","The Journal of Physical Chemistry C","2011","115","5","2332","","10.1021/jp109644j","","","0.71073","MoKα","","0.0313","0.0263","","","0.0649","0.0689","","","","","","0.906","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501669","25.106","0.007","16.854","0.004","37.347","0.009","90","","92.653","0.003","90","","15786","7","183","","183","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H69 Cl5 N4 O4 Sn -","- C97 H69 Cl5 N4 O4 Sn -","- C776 H552 Cl40 N32 O32 Sn8 -","8","2","","Yokoyama, Atsutoshi; Kojima, Takahiko; Ohkubo, Kei; Shiro, Motoo; Fukuzumi, Shunichi","Formation of a hybrid compound composed of a saddle-distorted Tin(IV)-porphyrin and a Keggin-type heteropolyoxometalate to undergo intramolecular photoinduced electron transfer.","The journal of physical chemistry. A","2011","115","6","986","997","10.1021/jp109863d","","","0.71075","MoKα","","","0.0872","","","","0.1819","","","","","","1.096","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1501670","11.4345","0.0005","12.6971","0.0007","14.1793","0.0008","103.943","0.0019","101.911","0.0019","93.6347","0.0018","1941.03","0.18","181.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H80 N4 O8 Sn -","- C100 H74 N4 O8 Sn -","- C100 H74 N4 O8 Sn -","1","0.5","","Yokoyama, Atsutoshi; Kojima, Takahiko; Ohkubo, Kei; Shiro, Motoo; Fukuzumi, Shunichi","Formation of a hybrid compound composed of a saddle-distorted Tin(IV)-porphyrin and a Keggin-type heteropolyoxometalate to undergo intramolecular photoinduced electron transfer.","The journal of physical chemistry. A","2011","115","6","986","997","10.1021/jp109863d","","","0.7107","MoKα","","","0.0389","","","","0.0971","","","","","","1.08","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501671","5.1965","0.0003","10.0137","0.0006","23.4643","0.0016","94.749","0.005","92.033","0.004","101.423","0.006","1191.02","0.13","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 N6 O8 S6 -","- C14 H22 N6 O8 S6 -","- C28 H44 N12 O16 S12 -","2","1","","Shi, Zheng; Lu, Zhe-Jun; Zhu, Qin-Yu; Huo, Li-Bin; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie","Diamino-diamido tetrathiafulvalene for the sensing of anions and cations: a view in electrochemistry and structure.","The journal of physical chemistry. B","2011","115","12","3020","3026","10.1021/jp110010z","","","0.71075","MoKα","","0.0594","0.044","","","0.0949","0.1031","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501672","8.261","0.003","43.783","0.015","9.625","0.003","90","","101.617","0.005","90","","3410","2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 N4 O15 S6 -","- C22 H26 N4 O15 S6 -","- C88 H104 N16 O60 S24 -","4","1","","Shi, Zheng; Lu, Zhe-Jun; Zhu, Qin-Yu; Huo, Li-Bin; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie","Diamino-diamido tetrathiafulvalene for the sensing of anions and cations: a view in electrochemistry and structure.","The journal of physical chemistry. B","2011","115","12","3020","3026","10.1021/jp110010z","","","0.71075","MoKα","","0.113","0.0771","","","0.1999","0.2399","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501673","11.432","0.009","24.09","0.03","10.121","0.009","90","","90","","90","","2787","5","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H30 N4 O8 S8 -","- C16 H30 N4 O8 S8 -","- C64 H120 N16 O32 S32 -","4","1","","Shi, Zheng; Lu, Zhe-Jun; Zhu, Qin-Yu; Huo, Li-Bin; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie","Diamino-diamido tetrathiafulvalene for the sensing of anions and cations: a view in electrochemistry and structure.","The journal of physical chemistry. B","2011","115","12","3020","3026","10.1021/jp110010z","","","0.71075","MoKα","","0.0747","0.0663","","","0.1586","0.1662","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501674","7.357","0.004","8.151","0.005","8.444","0.005","59.374","0.017","61.691","0.014","65.709","0.016","373.9","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","1,3-dimethylimidazolium mu-fluoro-bis(fluorohydrogenate)","","- C5 H11 F3 N2 -","- C5 H11 F3 N2 -","- C10 H22 F6 N4 -","2","1","","Enomoto, Takeshi; Nakamori, Yoji; Matsumoto, Kazuhiko; Hagiwara, Rika","Ion−Ion Interactions and Conduction Mechanism of Highly Conductive Fluorohydrogenate Ionic Liquids","The Journal of Physical Chemistry C","2011","115","10","4324","","10.1021/jp1101219","","","0.71073","MoKα","","0.1178","0.0495","","","0.0958","0.1523","","","","","","1.261","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501675","5.598","0.0002","10.6076","0.0004","14.5523","0.0007","90","","92.713","0.001","90","","863.17","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-dimethylimidazolium mu3-fluoro-tris(fluorohydrogenate)","","- C5 H12 F4 N2 -","- C5 H12 F4 N2 -","- C20 H48 F16 N8 -","4","1","","Enomoto, Takeshi; Nakamori, Yoji; Matsumoto, Kazuhiko; Hagiwara, Rika","Ion−Ion Interactions and Conduction Mechanism of Highly Conductive Fluorohydrogenate Ionic Liquids","The Journal of Physical Chemistry C","2011","115","10","4324","","10.1021/jp1101219","","","0.71073","MoKα","","0.0386","0.0338","","","0.0888","0.0929","","","","","","1.072","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501676","16.4633","0.0002","18.7981","0.0002","21.8791","0.0003","94.8166","0.0009","93.3602","0.0008","115.825","0.001","6039.05","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","5,11,17,23 tetra-tert-butyl [25-27 bis (diethyl thiophosphate amino) dihydroxy calix[4]arene methanol","","- C56.75 H87 N2 O8.75 P2 S2 -","- C56.75 H86 N2 O8.75 P2 S2 -","- C227 H344 N8 O35 P8 S8 -","4","2","","de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E.","Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material.","The journal of physical chemistry. B","2011","115","21","6922","6934","10.1021/jp110195f","","","0.71073","MoKα","","0.0674","0.0531","","","0.1304","0.1398","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501677","12.773","0.001","19.556","0.001","23.982","0.001","90","","101.691","0.001","90","","5866.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","5,11,17,23 tetra-tert-butyl [25-27 bis (diethyl thiophosphate amino) dihydroxy calix[4]arene dichloromethane","","- C57 H86 Cl2 N2 O8 P2 S2 -","- C57 H86 Cl2 N2 O8 P2 S2 -","- C228 H344 Cl8 N8 O32 P8 S8 -","4","1","","de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E.","Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material.","The journal of physical chemistry. B","2011","115","21","6922","6934","10.1021/jp110195f","","","0.71073","MoKα","","0.0684","0.0489","","","0.1285","0.1416","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501678","11.91","0.001","16.698","0.001","18.973","0.001","98.27","0.01","104.48","0.01","109.57","0.01","3333.5","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","5,11,17,23 tetra-tert-butyl [25-27 bis (diethyl thiophosphate amino) dihydroxy calix[4]arene silver(I) and sodium(I) acetonitrile perchlorate","","- C58 H87 Ag Cl2 N3 Na O16 P2 S2 -","- C58 H87 Ag Cl2 N3 Na O16 P2 S2 -","- C116 H174 Ag2 Cl4 N6 Na2 O32 P4 S4 -","2","1","","de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E.","Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material.","The journal of physical chemistry. B","2011","115","21","6922","6934","10.1021/jp110195f","","","0.71073","MoKα","","0.1464","0.1057","","","0.3162","0.3543","","","","","","1.331","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501679","12.6039","0.0002","17.4686","0.0003","21.7674","0.0004","71.24","0.001","80.801","0.001","71.7","0.001","4299.21","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","4,6,8,10,12,16,18,22,24 diethyl thiophosphate calix[4]resorcarene","","- C64 H104 O24 P8 S8 -","- C64 H104 O24 P8 S8 -","- C128 H208 O48 P16 S16 -","2","1","","de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E.","Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material.","The journal of physical chemistry. B","2011","115","21","6922","6934","10.1021/jp110195f","","","0.71073","MoKα","","0.1124","0.0884","","","0.2339","0.2593","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501680","17.756","0.001","21.9782","0.0012","11.5593","0.0007","90","","100.667","0.004","90","","4433","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 N4 O4 S4 -","- C50 H46 N4 O4 S4 -","- C200 H184 N16 O16 S16 -","4","1","","Zhang, Fen; Roznyatovskiy, Vladimir; Fan, Fu-Ren F.; Lynch, Vincent; Sessler, Jonathan L.; Bard, Allen J.","A Method for Rapid Screening of Photosensitizers by Scanning Electrochemical Microscopy (SECM) and the Synthesis and Testing of a Porphyrin Sensitizer","The Journal of Physical Chemistry C","2011","115","5","2592","","10.1021/jp110482v","","","0.71069","MoKα","","0.142","0.1037","","","0.2969","0.3177","","","","","","2.192","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501681","11.849","0.003","17.35","0.005","21.055","0.004","90","","121.146","0.011","90","","3704.5","1.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C196 H128 Cl8 -","- C196 H128 Cl8 -","- C196 H128 Cl8 -","1","0.25","","Huang, Hong; Fu, Qiang; Zhuang, Shaoqing; Liu, Yakun; Wang, Lei; Chen, Jiangshan; Ma, Dongge; Yang, Chuluo","Novel Deep Blue OLED Emitters with 1,3,5-Tri(anthracen-10-yl)benzene-Centered Starburst Oligofluorenes","The Journal of Physical Chemistry C","2011","115","11","4872","","10.1021/jp110652y","","","0.71073","MoKα","","0.1263","0.1121","","","0.2491","0.2583","","","","","","1.159","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501682","11.905","0.003","17.238","0.005","7.529","0.001","90","","90","","90","","1545.1","0.6","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O3 V -","- C17 H16 N2 O3 V -","- C68 H64 N8 O12 V4 -","4","1","","Matsuoka, Naoki; Tsuchimoto, Masanobu; Yoshioka, Naoki","Theoretical study of magnetic properties of oxovanadium(IV) complex self-assemblies with tetradentate Schiff base ligands.","The journal of physical chemistry. B","2011","115","26","8465","8473","10.1021/jp111779k","","","0.71073","MoKα","","","0.0302","","","","0.0787","","","","","","1.102","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501683","8.1037","0.0016","10.127","0.002","12.519","0.003","90","","90","","90","","1027.4","0.4","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 O2 -","- C14 H10 O2 -","- C56 H40 O8 -","4","1","","Zhu, Xiao-Qing; Zhou, Jian; Wang, Chun-Hua; Li, Xiu-Tao; Jing, Sha","Actual structure, thermodynamic driving force, and mechanism of benzofuranone-typical compounds as antioxidants in solution.","The journal of physical chemistry. B","2011","115","13","3588","3603","10.1021/jp200095g","","","0.71073","MoKα","","0.0329","0.0297","","","0.0658","0.0674","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501684","14.22","0.003","16.974","0.003","15.099","0.003","90","","92.46","0.03","90","","3641.1","1.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B10 H30 Mg O10 -","- B10 H30 Mg O10 -","- B80 H240 Mg8 O80 -","8","1","","Yisgedu, Teshome B.; Chen, Xuenian; Lingam, Hima K.; Huang, Zhenguo; Highley, Aaron; Maharrey, Sean; Behrens, Richard; Shore, Sheldon G.; Zhao, Ji-Cheng","Synthesis, Structural Characterization, and Thermal Decomposition Study of Mg(H2O)6B10H10·4H2O","The Journal of Physical Chemistry C","2011","115","23","11793","","10.1021/jp200541k","","","0.71073","MoKα","","0.0451","0.0287","","","0.0715","0.0775","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501685","8.2039","0.00014","5.99673","0.00008","4.5435","0.00007","90","","93.8032","0.0014","90","","223.032","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06161","","1.37","","","","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501686","8.20987","0.00014","5.99729","0.00008","4.54601","0.00007","90","","93.8491","0.0014","90","","223.327","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06612","","1.42","","","","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501687","8.21673","0.00014","5.99825","0.00008","4.54871","0.00007","90","","93.8929","0.0014","90","","223.67","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06151","","1.42","","","","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501688","8.22307","0.00014","5.99899","0.00008","4.55113","0.00007","90","","93.9367","0.0014","90","","223.978","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06281","","1.42","","","","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501689","8.22913","0.00014","5.99941","0.00008","4.55352","0.00007","90","","93.9808","0.0014","90","","224.265","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06301","","1.43","","","","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501690","8.23546","0.00014","5.99997","0.00008","4.55596","0.00007","90","","94.0251","0.0013","90","","224.566","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.07022","","1.41","","","","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501691","8.24185","0.00014","6.00052","0.00008","4.55819","0.00007","90","","94.071","0.0014","90","","224.858","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06371","","1.43","","","","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501692","8.24909","0.00014","6.00107","0.00008","4.56111","0.00007","90","","94.1234","0.0014","90","","225.206","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06914","","1.43","","","","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501693","8.25578","0.00014","6.00157","0.00008","4.56351","0.00007","90","","94.1741","0.0014","90","","225.511","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.07069","","1.43","","","","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501694","8.26299","0.00014","6.00194","0.00008","4.56608","0.00007","90","","94.2299","0.0014","90","","225.833","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.0641","","1.43","","","","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501695","8.26972","0.00014","6.00243","0.00008","4.56867","0.00007","90","","94.2836","0.0014","90","","226.148","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06919","","1.42","","","","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501696","5.05111","0.00007","5.05111","","9.99493","0.00024","90","","90","","90","","255.008","0.007","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C2 Cl N -","- C2 Cl N -","- C4 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.12398","","1.25","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501697","10.7935","0.0009","11.3034","0.0009","16.2004","0.0013","107.802","0.001","93.422","0.002","95.478","0.002","1865","0.3","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N Si -","- C21 H25 N Si -","- C84 H100 N4 Si4 -","4","2","","Shimizu, Masaki; Mochida, Kenji; Hiyama, Tamejiro","Highly Efficient Blue Fluorescence from 3,2′-Silylene-Bridged 2-Phenylindoles in the Solid State","The Journal of Physical Chemistry C","2011","115","22","11265","","10.1021/jp201168x","","","0.71073","MoKα","","0.094","0.0685","","","0.1855","0.1995","","","","","","1.086","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501698","8.0586","0.0013","14.782","0.002","20.24","0.003","90","","90","","90","","2411","0.6","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 F3 N Si -","- C27 H26 F3 N Si -","- C108 H104 F12 N4 Si4 -","4","1","","Shimizu, Masaki; Mochida, Kenji; Hiyama, Tamejiro","Highly Efficient Blue Fluorescence from 3,2′-Silylene-Bridged 2-Phenylindoles in the Solid State","The Journal of Physical Chemistry C","2011","115","22","11265","","10.1021/jp201168x","","","0.71073","MoKα","","0.087","0.0746","","","0.2021","0.214","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501699","13.5746","0.0006","15.9506","0.0007","15.0855","0.0007","90","","97.841","0.001","90","","3235.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N O4 Sb -","- C36 H42 N O4 Sb -","- C144 H168 N4 O16 Sb4 -","4","1","","Fukin, Georgy K.; Baranov, Evgenii V.; Jelsch, Christian; Guillot, Benoît; Poddel'sky, Andrey I.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","Experimental and theoretical investigation of topological and energetic characteristics of Sb complexes reversibly binding molecular oxygen.","The journal of physical chemistry. A","2011","115","29","8271","8281","10.1021/jp201833w","","","0.71073","MoKα","","0.0342","0.0266","","","0.0659","0.0684","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501700","10.0526","0.0002","11.8361","0.0003","14.5638","0.0003","88.56","","82.17","","68.61","","1597.88","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H45 N2 O3 Sb -","- C37 H45 N2 O3 Sb -","- C74 H90 N4 O6 Sb2 -","2","1","","Fukin, Georgy K.; Baranov, Evgenii V.; Jelsch, Christian; Guillot, Benoît; Poddel'sky, Andrey I.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","Experimental and theoretical investigation of topological and energetic characteristics of Sb complexes reversibly binding molecular oxygen.","The journal of physical chemistry. A","2011","115","29","8271","8281","10.1021/jp201833w","","","0.71073","MoKα","","0.0256","0.0227","","","0.0582","0.0608","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501701","9.3149","0.001","26.6012","0.0017","11.3777","0.0016","90","","111.083","0.005","90","","2630.5","0.5","198","1","198","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H58 N8 O6 Si7 -","- C46 H58 N8 O6 Si7 -","- C92 H116 N16 O12 Si14 -","2","0.5","","Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E.","Long, directional interactions in cofacial silicon phthalocyanine oligomers.","The journal of physical chemistry. A","2011","115","45","12474","12485","10.1021/jp2019445","","","0.71073","MoKα","","0.1508","0.0702","","","0.143","0.1708","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501702","13.1488","0.0006","22.8889","0.0011","27.0083","0.0012","90","","99.438","0.001","90","","8018.4","0.6","298","1","298","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H74 N16 O7 Si8 -","- C78 H74 N16 O7 Si8 -","- C312 H296 N64 O28 Si32 -","4","1","","Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E.","Long, directional interactions in cofacial silicon phthalocyanine oligomers.","The journal of physical chemistry. A","2011","115","45","12474","12485","10.1021/jp2019445","","","0.71073","MoKα","","0.1314","0.0529","","","0.119","0.1466","","","","","","0.981","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501703","13.421","0.009","14.371","0.016","14.662","0.014","85.17","0.04","68.66","0.03","83.53","0.04","2614","4","298","1","298","1","","","","","","","","5","P -1","-P 1","2","","","","- C110 H90 N24 O8 Si9 -","- C110 H90 N24 O8 Si9 -","- C110 H90 N24 O8 Si9 -","1","0.5","","Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E.","Long, directional interactions in cofacial silicon phthalocyanine oligomers.","The journal of physical chemistry. A","2011","115","45","12474","12485","10.1021/jp2019445","","","0.71073","MoKα","","0.0824","0.057","","","0.1341","0.1511","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501704","13.6979","0.0009","26.0454","0.0018","36.932","0.003","90","","94.737","0.003","90","","13131.1","1.6","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C149 H114 N32 O9 Si10 -","- C149 H114 N32 O9 Si10 -","- C596 H456 N128 O36 Si40 -","4","1","","Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E.","Long, directional interactions in cofacial silicon phthalocyanine oligomers.","The journal of physical chemistry. A","2011","115","45","12474","12485","10.1021/jp2019445","","","0.71073","MoKα","","0.1","0.0681","","","0.1558","0.1706","","","","","","1.031","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1501705","14.214","0.004","20.356","0.005","13.807","0.004","90","","106.48","0.003","90","","3830.8","1.8","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 N4 O4 -","- C50 H42 N4 O4 -","- C200 H168 N16 O16 -","4","1","","Mutoh, Katsuya; Abe, Jiro","Comprehensive understanding of structure- photosensitivity relationships of photochromic [2.2]paracyclophane-bridged imidazole dimers.","The journal of physical chemistry. A","2011","115","18","4650","4656","10.1021/jp201969q","","","0.71073","MoKα","","0.0495","0.0348","","","0.0808","0.0886","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501706","12.8243","0.0018","13.389","0.0019","15.859","0.002","79.107","0.002","75.49","0.002","63.12","0.001","2342.3","0.6","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 Cl6 N4 O4 -","- C52 H44 Cl6 N4 O4 -","- C104 H88 Cl12 N8 O8 -","2","1","","Mutoh, Katsuya; Abe, Jiro","Comprehensive understanding of structure- photosensitivity relationships of photochromic [2.2]paracyclophane-bridged imidazole dimers.","The journal of physical chemistry. A","2011","115","18","4650","4656","10.1021/jp201969q","","","0.71073","MoKα","","0.0639","0.0574","","","0.1324","0.137","","","","","","0.958","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501707","5.7587","0.001","17.681","0.003","21.772","0.004","111.793","0.003","91.7","0.003","92.295","0.003","2054.4","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H52 N2 S2 -","- C54 H52 N2 S2 -","- C108 H104 N4 S4 -","2","1","","Zhang, Xiqi; Chi, Zhenguo; Zhang, Jianyong; Li, Haiyin; Xu, Bingjia; Li, Xiaofang; Liu, Siwei; Zhang, Yi; Xu, Jiarui","Piezofluorochromic properties and mechanism of an aggregation-induced emission enhancement compound containing N-hexyl-phenothiazine and anthracene moieties.","The journal of physical chemistry. B","2011","115","23","7606","7611","10.1021/jp202112e","","","0.71073","MoKα","","0.1077","0.0517","","","0.119","0.1463","","","","","","0.925","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501708","11.0859","0.0001","13.0805","0.0001","15.8132","0.0002","90","","90","","90","","2293.06","0.04","183","2","183","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C80 H104 N24 O16 S8 -","8","1","","Farrugia, Louis J.; Khalaji, Aliakbar Dehno","Evidence for side-chain π-delocalization in a planar substituted benzene: an experimental and theoretical charge density study on 2,5-dimethoxybenzaldehyde thiosemicarbazone.","The journal of physical chemistry. A","2011","115","45","12512","12522","10.1021/jp2026169","","x-ray","0.71073","MoKα","","0.036","0.022","","","","0.024","","","","","","1.394","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501709","16.8233","0.0004","6.6778","0.0002","18.9912","0.0004","90","","101.312","0.002","90","","2092.07","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl2 N4 O11 -","- C16 H18 Cl2 N4 O11 -","- C64 H72 Cl8 N16 O44 -","4","1","","Hao, Erhong; Meng, Ting; Zhang, Min; Pang, Weidong; Zhou, Yunyou; Jiao, Lijuan","Solvent dependent fluorescent properties of a 1,2,3-triazole linked 8-hydroxyquinoline chemosensor: tunable detection from zinc(II) to iron(III) in the CH3CN/H2O system.","The journal of physical chemistry. A","2011","115","29","8234","8241","10.1021/jp202700s","","","1.54184","CuKα","","0.0479","0.046","","","0.1217","0.1236","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501710","11.2891","0.0002","12.2491","0.0002","12.4087","0.0002","90","","97.027","0.001","90","","1703","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 F6 N3 O4 S2 -","- C11 H11 F6 N3 O4 S2 -","- C44 H44 F24 N12 O16 S8 -","4","1","","Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen","Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids.","The journal of physical chemistry. B","2011","115","26","8424","8438","10.1021/jp2027675","","","1.54178","CuKα","","0.0293","0.0282","","","0.0721","0.073","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501711","8.1408","0.0001","8.7005","0.0001","10.582","0.0002","80.863","0.001","76.27","0.001","81.141","0.001","713.551","0.018","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H7 F6 N3 O4 S2 -","- C9 H7 F6 N3 O4 S2 -","- C18 H14 F12 N6 O8 S4 -","2","1","","Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen","Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids.","The journal of physical chemistry. B","2011","115","26","8424","8438","10.1021/jp2027675","","","1.54178","CuKα","","0.0285","0.0283","","","0.075","0.0752","","","","","","1.089","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501712","8.255","0.003","13.88","0.003","14.205","0.004","90","","92.159","0.018","90","","1626.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 F6 N3 O4 S2 -","- C11 H11 F6 N3 O4 S2 -","- C44 H44 F24 N12 O16 S8 -","4","1","","Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen","Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids.","The journal of physical chemistry. B","2011","115","26","8424","8438","10.1021/jp2027675","","","1.54178","CuKα","","0.031","0.0291","","","0.0741","0.0763","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501713","11.5159","0.0006","12.2778","0.0006","12.5068","0.0006","90","","96.726","0.002","90","","1756.17","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 F6 N3 O4 S2 -","- C12 H13 F6 N3 O4 S2 -","- C48 H52 F24 N12 O16 S8 -","4","1","","Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen","Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids.","The journal of physical chemistry. B","2011","115","26","8424","8438","10.1021/jp2027675","","","1.54178","CuKα","","0.0311","0.03","","","0.0755","0.0764","","","","","","1.092","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501714","12.687","0.004","8.186","0.003","15.537","0.006","90","","106.36","0.02","90","","1548.3","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 F6 N3 O4 S2 -","- C10 H9 F6 N3 O4 S2 -","- C40 H36 F24 N12 O16 S8 -","4","1","","Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen","Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids.","The journal of physical chemistry. B","2011","115","26","8424","8438","10.1021/jp2027675","","","1.54178","CuKα","","0.0422","0.0366","","","0.0838","0.0872","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501715","8.2118","0.0008","8.6844","0.0007","12.6209","0.0012","98.692","0.005","104.289","0.006","104.167","0.005","823.97","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 F6 N3 O4 S2 -","- C11 H11 F6 N3 O4 S2 -","- C22 H22 F12 N6 O8 S4 -","2","1","","Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen","Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids.","The journal of physical chemistry. B","2011","115","26","8424","8438","10.1021/jp2027675","","","1.54178","CuKα","","0.0451","0.0382","","","0.0941","0.0993","","","","","","1.076","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501716","8.134","0.0006","12.4922","0.0009","17.291","0.0012","72.707","0.004","80.807","0.005","80.637","0.004","1643.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 F6 N3 O4 S2 -","- C11 H11 F6 N3 O4 S2 -","- C44 H44 F24 N12 O16 S8 -","4","2","","Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen","Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids.","The journal of physical chemistry. B","2011","115","26","8424","8438","10.1021/jp2027675","","","1.54178","CuKα","","0.0675","0.0527","","","0.1228","0.1328","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501717","6.9676","0.0019","8.345","0.003","9.765","0.004","79.75","0.03","70.26","0.03","83.19","0.03","524.8","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","1","0.5","","Chen, Xiaotong; Wei, Ruirui; Xiang, Yu; Zhou, Zhaojuan; Li, Kai; Song, Panshu; Tong, Aijun","Organic Crystalline Solids Response to Piezo/thermo Stimulus: Donor–Acceptor (D–A) Attached Salicylaldehyde Azine Derivatives","The Journal of Physical Chemistry C","2011","115","29","14353","","10.1021/jp2035357","","","0.71073","MoKα","","0.082","0.0486","","","0.0829","0.0931","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501718","12.055","0.003","6.5584","0.0015","13.381","0.006","90","","95.95","0.02","90","","1052.2","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C44 H60 N8 O4 -","2","0.5","","Chen, Xiaotong; Wei, Ruirui; Xiang, Yu; Zhou, Zhaojuan; Li, Kai; Song, Panshu; Tong, Aijun","Organic Crystalline Solids Response to Piezo/thermo Stimulus: Donor–Acceptor (D–A) Attached Salicylaldehyde Azine Derivatives","The Journal of Physical Chemistry C","2011","115","29","14353","","10.1021/jp2035357","","","0.71073","MoKα","","0.1784","0.0618","","","0.1133","0.1572","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501719","13.1238","0.0014","18.615","0.003","18.123","0.003","90","","100.884","0.003","90","","4347.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H23 B F24 N2 -","- C42 H23 B F24 N2 -","- C168 H92 B4 F96 N8 -","4","1","","Kong, S.; Borissova, A. O.; Lesnichin, S. B.; Hartl, M.; Daemen, L. L.; Eckert, J.; Antipin, M. Yu; Shenderovich, I. G.","Geometry and spectral properties of the protonated homodimer of pyridine in the liquid and solid states. A combined NMR, X-ray diffraction and inelastic neutron scattering study.","The journal of physical chemistry. A","2011","115","27","8041","8048","10.1021/jp203543g","","","0.71073","MoKα","","0.2228","0.1339","","","0.2342","0.2662","","","","","","1.345","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501720","11.7245","0.0019","11.2382","0.0018","32.084","0.005","90","","100.429","0.002","90","","4157.6","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-di(4-methoxyphenyl)-N-([1,2-a]-[2'-1'-j]dinaphthanthracen-9-yl)amine","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C224 H184 N8 O16 -","8","2","","Chudomel, J. Matthew; Yang, Boqian; Barnes, Michael D.; Achermann, Marc; Mague, Joel T.; Lahti, Paul M.","Highly twisted triarylamines for photoinduced intramolecular charge transfer.","The journal of physical chemistry. A","2011","115","30","8361","8368","10.1021/jp203563y","","","0.71073","MoKα","","0.0678","0.0462","","","0.095","0.1055","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501721","10.3212","0.0004","8.8807","0.0003","7.5565","0.0003","90","","93.299","0.002","90","","691.48","0.04","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H10 N2 S2 -","- C5 H10 N2 S2 -","- C20 H40 N8 S8 -","4","0.5","","Bushmarinov, I. S.; Fedyanin, I. V.; Lyssenko, K. A.; Lapteva, V. L.; Pisarev, S. A.; Palyulin, V. A.; Zefirov, N. S.; Antipin, M. Yu","The ""hockey sticks"" effect revisited: the conformational and electronic properties of 3,7-dithia-1,5-diazabicyclo[3.3.1]nonane from the QTAIM perspective.","The journal of physical chemistry. A","2011","115","45","12738","12745","10.1021/jp203730b","","","0.71073","MoKα","","0.0405","0.0349","","","0.0718","0.0741","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501722","6.858","0.004","7.636","0.005","18.221","0.011","90","","92.605","0.008","90","","953.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ortho-methyl-N-chloroacetanilide","","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C36 H40 Cl4 N4 O4 -","4","1","","Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki","Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.","The journal of physical chemistry. A","2011","115","26","7834","7848","10.1021/jp203771c","","","0.71073","MoKα","","0.0662","0.0473","","","0.1509","0.1642","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501723","7.705","0.012","7.146","0.011","17.57","0.03","90","","100.15","0.02","90","","952","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","meta-methyl-N-chloroacetanilide","","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C36 H40 Cl4 N4 O4 -","4","1","","Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki","Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.","The journal of physical chemistry. A","2011","115","26","7834","7848","10.1021/jp203771c","","","0.71073","MoKα","","0.1931","0.1477","","","0.3846","0.4593","","","","","","1.516","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501724","13.383","0.008","6.769","0.004","10.267","0.006","90","","90","","90","","930.1","1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","para-methyl-N-chloroacetanilide","","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C36 H40 Cl4 N4 O4 -","4","0.5","","Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki","Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.","The journal of physical chemistry. A","2011","115","26","7834","7848","10.1021/jp203771c","","","0.71073","MoKα","","0.054","0.0405","","","0.1365","0.1518","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501725","6.0806","0.0005","12.2086","0.0009","15.577","0.0012","90","","90","","90","","1156.37","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-chloro-benzanilide","","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","1","","Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki","Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.","The journal of physical chemistry. A","2011","115","26","7834","7848","10.1021/jp203771c","","","0.71073","MoKα","","0.0961","0.0593","","","0.1844","0.2057","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501726","11.754","0.005","5.765","0.005","16.944","0.005","90","0.005","94.743","0.005","90","0.005","1144.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-chlorobenzanilide","","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","1","","Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki","Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.","The journal of physical chemistry. A","2011","115","26","7834","7848","10.1021/jp203771c","","","0.71073","MoKα","","0.0724","0.0453","","","0.1088","0.1213","","","","","","1.089","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501727","5.3862","0.0001","7.8721","0.0001","13.6512","0.0002","106.554","0.001","98.414","0.001","90.624","0.001","548.013","0.015","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-chloro-benzanilide","N-(4-Chlorophenyl)benzamide","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C26 H20 Cl2 N2 O2 -","2","1","","Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki","Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.","The journal of physical chemistry. A","2011","115","26","7834","7848","10.1021/jp203771c","","","0.71073","MoKα","","0.0393","0.0368","","","0.1064","0.1095","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501728","6.1089","0.0007","9.7134","0.0011","34.042","0.004","90","","91.716","0.002","90","","2019.1","0.4","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-chloro-2,4,6-tris(tert-butyl)acetanilide","N-chloro-N-(2,4,6-tris-(tert-butyl)phenylacetamide","","- C20 H32 Cl N O -","- C20 H32 Cl N O -","- C80 H128 Cl4 N4 O4 -","4","1","","Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki","Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.","The journal of physical chemistry. A","2011","115","26","7834","7848","10.1021/jp203771c","","","0.71073","MoKα","","0.0922","0.0726","","","0.2025","0.2179","","","","","","1.027","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501729","7.034","0.015","7.673","0.015","10.57","0.03","83.42","0.03","70.6","0.03","82.082","0.018","532","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","p,N-dichloro-3?-methylacetanilide","N-chloro-N-(4-chloro-3-methylphenyl)acetamide","","- C9 H9 Cl2 N O -","- C9 H9 Cl2 N O -","- C18 H18 Cl4 N2 O2 -","2","1","","Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki","Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.","The journal of physical chemistry. A","2011","115","26","7834","7848","10.1021/jp203771c","","","0.71073","MoKα","","0.1601","0.0861","","","0.2519","0.3453","","","","","","1.128","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501730","9.5031","0.0004","14.1216","0.0007","10.4957","0.0005","90","","90.586","0.003","90","","1408.44","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H17 B5 N2 O10 -","- C5 H17 B5 N2 O10 -","- C20 H68 B20 N8 O40 -","4","1","","Hathwar, Venkatesha R.; Paul, Avijit Kumar; Natarajan, Srinivasan; Row, Tayur N Guru","Charge density analysis of a pentaborate ion in an ammonium borate: toward the understanding of topological features in borate minerals.","The journal of physical chemistry. A","2011","115","45","12818","12825","10.1021/jp203983v","","x-ray","0.71073","MoKα","","0.024","0.019","","","","0.043","0.022","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501731","9.3541","0.0014","7.8376","0.0012","21.571","0.003","90","","93.994","0.002","90","","1577.6","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(thioxanthen-9-ylidene)indane-1,3-dione","","- C22 H12 O2 S -","- C22 H12 O2 S -","- C88 H48 O8 S4 -","4","1","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.0664","0.0469","","","0.0976","0.1059","","","","","","1.037","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501732","9.4963","0.0005","8.0181","0.0004","21.3804","0.0009","90","","94.107","0.003","90","","1623.77","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(thioxanthen-9-ylidene)indane-1,3-dione","","- C22 H12 O2 S -","- C22 H12 O2 S -","- C88 H48 O8 S4 -","4","1","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.0994","0.0518","","","0.101","0.1246","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501733","9.4963","0.0005","8.0181","0.0004","21.3804","0.0009","90","","94.107","0.003","90","","1623.77","0.14","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(thioxanthen-9-ylidene)indane-1,3-dione","","- C22 H12 O2 S -","- C22 H12 O2 S -","- C88 H48 O8 S4 -","4","1","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.0961","0.0516","","","0.1103","0.1338","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501734","9.5862","0.0005","8.1401","0.0004","21.2445","0.0012","90","","94.236","0.004","90","","1653.24","0.15","400","2","400","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(thioxanthen-9-ylidene)indane-1,3-dione","","- C22 H12 O2 S -","- C22 H12 O2 S -","- C88 H48 O8 S4 -","4","1","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.1304","0.0534","","","0.1022","0.136","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501735","9.6404","0.0017","8.2037","0.0014","21.187","0.004","90","","94.384","0.014","90","","1670.7","0.5","454","2","454","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(thioxanthen-9-ylidene)indane-1,3-dione","","- C22 H12 O2 S -","- C22 H12 O2 S -","- C88 H48 O8 S4 -","4","1","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.1544","0.0575","","","0.1074","0.1466","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501736","9.6444","0.0013","8.216","0.001","21.172","0.003","90","","94.206","0.01","90","","1673.1","0.4","465","2","465","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(thioxanthen-9-ylidene)indane-1,3-dione","","- C22 H12 O2 S -","- C22 H12 O2 S -","- C88 H48 O8 S4 -","4","1","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.2553","0.0571","","","0.1049","0.1706","","","","","","0.942","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501737","9.656","0.003","8.247","0.002","21.156","0.006","90","","94.6","0.02","90","","1679.3","0.8","487","2","487","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(thioxanthen-9-ylidene)indane-1,3-dione","","- C22 H12 O2 S -","- C22 H12 O2 S -","- C88 H48 O8 S4 -","4","1","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.181","0.0564","","","0.1157","0.1704","","","","","","0.98","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501738","10.1199","0.0015","8.2949","0.0012","11.6257","0.0017","90","","109.455","0.002","90","","920.2","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","bainthrone","9,9'-bi-9(10H)-anthracenylidene-10,1'-dione","","- C28 H16 O2 -","- C28 H16 O2 -","- C56 H32 O4 -","2","0.5","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.0443","0.0384","","","0.0964","0.1003","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501739","10.1822","0.0006","8.4359","0.0005","11.6494","0.0006","90","","109.537","0.002","90","","943.03","0.09","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","bainthrone","9,9'-bi-9(10H)-anthracenylidene-10,1'-dione","","- C28 H16 O2 -","- C28 H16 O2 -","- C56 H32 O4 -","2","0.5","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.0705","0.0403","","","0.0873","0.1002","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501740","10.2391","0.0011","8.5602","0.0009","11.6621","0.0011","90","","109.646","0.004","90","","962.67","0.17","432","2","432","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","bainthrone","9,9'-bi-9(10H)-anthracenylidene-10,1'-dione","","- C28 H16 O2 -","- C28 H16 O2 -","- C56 H32 O4 -","2","0.5","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.0925","0.0419","","","0.0847","0.1006","","","","","","0.945","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501741","10.2759","0.0011","8.6249","0.0009","11.6667","0.0011","90","","109.729","0.004","90","","973.31","0.17","508","2","508","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","bainthrone","9,9'-bi-9(10H)-anthracenylidene-10,1'-dione","","- C28 H16 O2 -","- C28 H16 O2 -","- C56 H32 O4 -","2","0.5","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.1087","0.0437","","","0.091","0.1129","","","","","","0.927","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501742","10.2832","0.0006","8.6313","0.0004","11.6644","0.0006","90","","109.758","0.004","90","","974.35","0.09","530","2","530","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","bainthrone","9,9'-bi-9(10H)-anthracenylidene-10,1'-dione","","- C28 H16 O2 -","- C28 H16 O2 -","- C56 H32 O4 -","2","0.5","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.2624","0.0492","","","0.0847","0.141","","","","","","0.864","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501743","12.102","0.005","6.175","0.005","25.167","0.005","90","0.005","92.532","0.005","90","0.005","1878.9","1.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H17 N -","- C29 H17 N -","- C116 H68 N4 -","4","1","","Xin, Qian; Duhm, Steffen; Hosoumi, Shunsuke; Ueno, Nobuo; Tao, Xu-tang; Kera, Satoshi","Impact of Nitrogen Substitution and Molecular Orientation on the Energy-Level Alignment of Heteroacene Films","The Journal of Physical Chemistry C","2011","115","31","15502","","10.1021/jp204277g","","","0.71069","MoKα","","0.1588","0.0517","","","0.1245","0.1857","","","","","","0.831","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501744","12.15","0.003","13.307","0.003","14.206","0.003","64.599","0.002","71.92","0.003","74.904","0.003","1950.5","0.8","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C56 H38 N4 -","- C56 H41 N4 -","- C112 H82 N8 -","2","1","","Yamashita, Hiroaki; Abe, Jiro","Photochromic properties of [2.2]paracyclophane-bridged imidazole dimer with increased photosensitivity by introducing pyrenyl moiety.","The journal of physical chemistry. A","2011","115","46","13332","13337","10.1021/jp204440s","","","0.71073","MoKα","","0.1066","0.0574","","","0.1446","0.1697","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501745","10.97","0.002","8.986","0.0018","20.881","0.004","90","","103.66","0.03","90","","2000.2","0.7","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 N4 S -","- C11 H8 N4 S -","- C88 H64 N32 S8 -","8","1","","Nakanishi, Waro; Hayashi, Satoko; Pitak, Mateusz B.; Hursthouse, Michael B.; Coles, Simon J.","Dynamic and static behaviors of N-Z-N σ(3c-4e) (Z = S, Se, and Te) interactions: atoms-in-molecules dual functional analysis with high-resolution X-ray diffraction determination of electron densities for 2-(2-pyridylimino)-2H-1,2,4-thiadiazolo[2,3-a]pyridine.","The journal of physical chemistry. A","2011","115","42","11775","11787","10.1021/jp2044898","","","0.71073","MoKα","","0.0907","0.0424","","","0.1169","0.1322","","","","","","1.066","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501746","20.353","0.004","14.179","0.003","10.415","0.003","90","","90","","90","","3005.6","1.2","120","0.1","120","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","pentaguanidinium diethoxysolfo-fluoro-sulfate","pentaguanidinium diethoxysolfo-fluoro-sulfate","","- C9 H40 F N15 O12 S3 -","- C9 H40 F N15 O12 S3 -","- C36 H160 F4 N60 O48 S12 -","4","1","","Szafrański, Marek","Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F.","The journal of physical chemistry. B","2011","115","34","10277","10284","10.1021/jp204557d","","","0.71073","MoKα","","0.0488","0.0262","","","0.0661","0.0721","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501747","10.517","0.002","14.329","0.003","20.204","0.004","90","","90","","90","","3044.7","1.1","200","0.1","200","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","pentaguanidinium diethoxysolfo-fluoro-sulfate","pentaguanidinium diethoxysolfo-fluoro-sulfate","","- C9 H40 F N15 O12 S3 -","- C9 H40 F N15 O12 S3 -","- C36 H160 F4 N60 O48 S12 -","4","1","","Szafrański, Marek","Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F.","The journal of physical chemistry. B","2011","115","34","10277","10284","10.1021/jp204557d","","","0.71073","MoKα","","0.0934","0.0364","","","0.0933","0.1094","","","","","","1.036","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501748","20.171","0.004","10.563","0.002","14.348","0.003","90","","90","","90","","3057.1","1.1","240","0.1","240","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","pentaguanidinium diethoxysolfo-fluoro-sulfate","pentaguanidinium diethoxysolfo-fluoro-sulfate","","- C9 H40 F N15 O12 S3 -","- C9 H40 F N15 O12 S3 -","- C36 H160 F4 N60 O48 S12 -","4","0.5","","Szafrański, Marek","Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F.","The journal of physical chemistry. B","2011","115","34","10277","10284","10.1021/jp204557d","","","0.71073","MoKα","","0.1142","0.043","","","0.116","0.1378","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501749","20.272","0.005","10.583","0.003","14.327","0.003","90","","90","","90","","3073.7","1.3","298","1","298","1","","","","","","","","6","P n m a","-P 2ac 2n","62","pentaguanidinium diethoxysolfo-fluoro-sulfate","pentaguanidinium diethoxysolfo-fluoro-sulfate","","- C9 H40 F N15 O12 S3 -","- C9 H40 F N15 O12 S3 -","- C36 H160 F4 N60 O48 S12 -","4","0.5","","Szafrański, Marek","Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F.","The journal of physical chemistry. B","2011","115","34","10277","10284","10.1021/jp204557d","","","0.71073","MoKα","","0.1271","0.0532","","","0.1603","0.1865","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501750","16.649","0.003","14.441","0.002","20.354","0.003","90","","92.7","0.03","90","","4888.2","1.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N2 -","- C13 H18 N2 -","- C208 H288 N32 -","16","2","","Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.","Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.","The journal of physical chemistry. A","2011","115","40","10823","10845","10.1021/jp2045614","","","0.71073","MoKα","","0.0709","0.0491","","0.1328","0.1142","","","","1.051","1.063","1.063","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501751","7.947","0.002","8.13","0.002","8.153","0.002","85.9","0.03","76.26","0.03","64.85","0.03","462.9","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C22 H18 N6 -","2","1","","Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.","Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.","The journal of physical chemistry. A","2011","115","40","10823","10845","10.1021/jp2045614","","","0.71073","MoKα","","0.0421","0.0405","","0.1184","0.1148","","","","1.032","1.03","1.03","","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501752","7.462","0.0003","10.6319","0.0004","14.242","0.0006","90","","102.453","0.004","90","","1103.31","0.08","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 -","- C12 H13 N3 -","- C48 H52 N12 -","4","1","","Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.","Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.","The journal of physical chemistry. A","2011","115","40","10823","10845","10.1021/jp2045614","","","0.71069","MoKα","","0.0573","0.0351","","","0.0869","0.0915","","","","","","0.941","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501753","10.2495","0.0007","6.8618","0.0004","15.9772","0.0009","90","","101.686","0.006","90","","1100.39","0.12","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 -","- C12 H13 N3 -","- C48 H52 N12 -","4","1","","Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.","Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.","The journal of physical chemistry. A","2011","115","40","10823","10845","10.1021/jp2045614","","","0.71073","MoKα","","0.0631","0.0377","","","0.09","0.0966","","","","","","0.878","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501754","8.9832","0.0004","12.6212","0.0006","9.6863","0.0004","90","","92.414","0.004","90","","1097.25","0.08","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N3 -","- C12 H13 N3 -","- C48 H52 N12 -","4","1","","Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.","Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.","The journal of physical chemistry. A","2011","115","40","10823","10845","10.1021/jp2045614","","","0.71069","MoKα","","0.0519","0.0366","","","0.0886","0.0917","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501755","8.0083","0.001","8.1614","0.0008","8.1965","0.0011","85.25","0.007","62.613","0.005","74.373","0.007","457.56","0.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H9 N3 -","- C10 H9 N3 -","- C20 H18 N6 -","2","1","","Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.","Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.","The journal of physical chemistry. A","2011","115","40","10823","10845","10.1021/jp2045614","","","0.71073","MoKα","","0.0642","0.047","","","0.1137","0.1264","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501756","11.7882","0.0003","7.6411","0.0002","5.7686","0.0002","90","","100.438","0.003","90","","511.01","0.03","20","0.2","20","0.2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl4 Cs2 O2 U -","- Cl4 Cs2 O2 U -","- Cl8 Cs4 O4 U2 -","2","0.25","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Characterization of bonding in cesium uranyl chloride: topological analysis of the experimental charge density.","The journal of physical chemistry. A","2011","115","45","13016","13023","10.1021/jp204965b","","","0.71073","MoKα","","","0.0072","","","","0.0061","0.0082","","","","","1.1084","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1501757","11.5917","0.0001","11.5917","0.0001","11.5917","0.0001","90","","90","","90","","1557.55","0.02","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- B3 Ce Cl D12 Li -","- B3 Ce Cl D12 Li -","- B24 Ce8 Cl8 D96 Li8 -","8","0.166667","","Frommen, C.; Sørby, M.H.; Ravindran, P.; Vajeeston, P.; Fjellvåg, H.; Hauback, B.C.","Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl","The Journal of Physical Chemistry C","2011","115","47","23591","","10.1021/jp205105j","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501758","11.665","0.001","11.665","0.001","11.665","0.001","90","","90","","90","","1587.3","0.2","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- B3 Ce Cl D12 Li -","- B3 Ce Cl D12 Li -","- B24 Ce8 Cl8 D96 Li8 -","8","0.166667","","Frommen, C.; Sørby, M.H.; Ravindran, P.; Vajeeston, P.; Fjellvåg, H.; Hauback, B.C.","Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl","The Journal of Physical Chemistry C","2011","115","47","23591","","10.1021/jp205105j","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501759","16.138","0.003","7.0036","0.0012","22.75","0.004","90","","90","","90","","2571.3","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H16 N6 O4 -","- C10 H16 N6 O4 -","- C80 H128 N48 O32 -","8","1","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.0743","0.0477","","","0.1118","0.1258","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501760","10.9187","0.0003","10.9859","0.0003","14.7065","0.0004","90","","109.838","0.002","90","","1659.38","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N4 O4 -","- C18 H14 N4 O4 -","- C72 H56 N16 O16 -","4","1","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.0774","0.0477","","","0.114","0.1328","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501761","9.2057","0.0002","9.0165","0.0002","21.1691","0.0005","90","","102.445","0.001","90","","1715.82","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O4 -","- C18 H14 N4 O4 -","- C72 H56 N16 O16 -","4","1","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.088","0.0527","","","0.1388","0.1572","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501762","7.865","0.0002","9.6359","0.0002","23.304","0.0005","89.901","0.001","88.777","0.001","70.877","0.001","1668.26","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N4 O4 -","- C18 H14 N4 O4 -","- C72 H56 N16 O16 -","4","2","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.08","0.0463","","","0.128","0.1532","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501763","9.6792","0.0013","10.0246","0.0013","10.2564","0.0014","108.14","0.001","97.415","0.001","104.581","0.001","891.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N4 O4 -","- C20 H18 N4 O4 -","- C40 H36 N8 O8 -","2","1","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.07","0.0562","","","0.1499","0.1603","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501764","11.6274","0.0011","6.7904","0.0007","26.582","0.003","90","","90","","90","","2098.8","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H30 N4 O4 -","- C20 H30 N4 O4 -","- C80 H120 N16 O16 -","4","0.5","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.0701","0.062","","","0.1721","0.1847","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501765","8.3647","0.0012","21.533","0.003","7.79","0.0011","90","","92.707","0.009","90","","1401.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N4 O4 -","- C12 H18 N4 O4 -","- C48 H72 N16 O16 -","4","1","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.1203","0.0621","","","0.1623","0.2001","","","","","","1.012","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501766","12.7313","0.0006","15.6701","0.0008","9.4477","0.0004","90","","110.843","0.001","90","","1761.48","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N6 O4 -","- C14 H24 N6 O4 -","- C56 H96 N24 O16 -","4","1","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.066","0.0557","","","0.1567","0.1657","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501767","10.3054","0.0003","4.4342","0.0001","32.6413","0.0009","90","","97.77","0.001","90","","1477.89","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Cl2 N4 O6 -","- C10 H12 Cl2 N4 O6 -","- C40 H48 Cl8 N16 O24 -","4","1","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.0492","0.0457","","","0.1285","0.1315","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501768","6.556","0.0002","7.697","0.0002","17.438","0.0008","93.754","0.001","97.256","0.001","116.531","0.002","773.58","0.05","566","2","566","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C36 H38 N6 O2 -","2","1","","Herrera-Ambriz, Victor-Manuel; Maldonado, José-Luis; Rodríguez, Mario; Castro-Beltrán, Rigoberto; Ramos-Ortíz, Gabriel; Magaña-Vergara, Nancy-Evelyn; Meneses-Nava, Marco-Antonio; Barbosa-García, Oracio; Santillan, Rosa; Farfán, Norberto; Dang, Florian-Xuan; Lacroix, Pascal G.; Ledoux-Rak, Isabelle","Highly Efficient Photorefractive Organic Polymers Based on Benzonitrile Shiff Bases Nonlinear Chromophores","The Journal of Physical Chemistry C","2011","115","48","23955","","10.1021/jp206204p","","x-ray","0.71073","MoKα","","0.1178","0.0683","","","0.1374","0.1654","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501769","7.6934","0.0002","9.7091","0.0003","11.3685","0.0003","84.576","0.001","73.338","0.002","75.881","0.001","788.67","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Compound X","San341 (Mario)","","- C18 H19 N3 -","- C18 H19 N3 -","- C36 H38 N6 -","2","1","","Herrera-Ambriz, Victor-Manuel; Maldonado, José-Luis; Rodríguez, Mario; Castro-Beltrán, Rigoberto; Ramos-Ortíz, Gabriel; Magaña-Vergara, Nancy-Evelyn; Meneses-Nava, Marco-Antonio; Barbosa-García, Oracio; Santillan, Rosa; Farfán, Norberto; Dang, Florian-Xuan; Lacroix, Pascal G.; Ledoux-Rak, Isabelle","Highly Efficient Photorefractive Organic Polymers Based on Benzonitrile Shiff Bases Nonlinear Chromophores","The Journal of Physical Chemistry C","2011","115","48","23955","","10.1021/jp206204p","","x-ray","0.71073","MoKα","","0.1025","0.0564","","","0.1418","0.1731","","","","","","1.081","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501770","16.086","0.003","21.066","0.003","18.104","0.003","90","","100.27","0.07","90","","6037","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Fmoc-TOAC-(Aib)7-OMe","","- C54 H80 N9 O12 -","- C54 H80 N9 O12 -","- C216 H320 N36 O48 -","4","1","","Carlotto, Silvia; Zerbetto, Mirco; Shabestari, Maryam Hashemi; Moretto, Alessandro; Formaggio, Fernando; Crisma, Marco; Toniolo, Claudio; Huber, Martina; Polimeno, Antonino","In silico interpretation of cw-ESR at 9 and 95 GHz of mono- and bis- TOAC-labeled Aib-homopeptides in fluid and frozen acetonitrile.","The journal of physical chemistry. B","2011","115","44","13026","13036","10.1021/jp2063645","","","1.54178","CuKα","","0.1233","0.0864","","","0.2244","0.2382","","","","","","1.213","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501771","26.4461","0.0004","26.4461","0.0004","26.4461","0.0004","90","","90","","90","","18496.3","0.5","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C463.98 H239.98 N32 O313.66 Zn52 -","- C464.009 H240 N31.9992 O313.666 Zn52 -","- C464.009 H240 N31.9992 O313.666 Zn52 -","1","0.00520833","","Larsen, Randy W.; Miksovska, Jaroslava; Musselman, Ronald L.; Wojtas, Lukasz","Ground- and excited-state properties of Zn(II) tetrakis(4-tetramethylpyridyl) pophyrin specifically encapsulated within a Zn(II) HKUST metal-organic framework.","The journal of physical chemistry. A","2011","115","42","11519","11524","10.1021/jp2064408","","","1.54178","CuKα","","0.0992","0.0857","","","0.2352","0.2476","","","","","","1.08","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501772","19.191","0.002","9.8248","0.0011","17.327","0.002","90","","110.442","0.002","90","","3061.2","0.6","173","1","173","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H50 Li O4 -","- C32 H50 Li O4 -","- C128 H200 Li4 O16 -","4","0.5","","de la Viuda, Mónica; Yus, Miguel; Guijarro, Albert","On the nature of lithium biphenyl in ethereal solvents. A critical analysis unifying DFT calculations, physicochemical data in solution, and a X-ray structure.","The journal of physical chemistry. B","2011","115","49","14610","14616","10.1021/jp2074573","","","0.71073","MoKα","","0.0799","0.0444","","","0.1015","0.1166","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501773","38.113","0.008","5.8256","0.0012","7.8705","0.0016","90","","93.77","0.03","90","","1743.7","0.6","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 S4 -","- C22 H12 S4 -","- C88 H48 S16 -","4","0.5","","Chen, Huajie; Cui, Qingyu; Yu, Gui; Guo, Yunlong; Huang, Jianyao; Zhu, Minliang; Guo, Xiaojun; Liu, Yunqi","Synthesis and Characterization of Novel Semiconductors Based on Thieno[3,2-b][1]benzothiophene Cores and Their Applications in the Organic Thin-Film Transistors","The Journal of Physical Chemistry C","2011","115","48","23984","","10.1021/jp2081484","","","0.71073","MoKα","","0.0676","0.056","","","0.1157","0.1308","","","","","","1.229","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501774","7.6537","0.0003","12.4352","0.0006","16.3279","0.0007","73.674","0.002","85.27","0.002","76.176","0.002","1447.96","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 F4 N8 S2 -","- C29 H25 F4 N8 S2 -","- C58 H50 F8 N16 S4 -","2","1","","von Eschwege, Karel G.; Conradie, Jeanet; Kuhn, Annemarie","Dithizone and Its oxidation products: a DFT, spectroscopic, and X-ray structural study.","The journal of physical chemistry. A","2011","115","51","14637","14646","10.1021/jp208212e","","","0.71073","MoKα","","0.106","0.0626","","","0.1716","0.2182","","","","","","1.102","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501775","6.43","0.002","10.419","0.004","26.21","0.01","98.166","0.014","90.558","0.015","91.15","0.013","1737.6","1.1","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H53 N O8 -","- C36 H53 N O8 -","- C72 H106 N2 O16 -","2","1","","Chahine, Joe; Saffon, Nathalie; Cantuel, Martine; Fery-Forgues, Suzanne","Spontaneous formation of fluorescent nanofibers and reticulated solid from berberine palmitate: a new example of aggregation-induced emission enhancement in organic ion pairs.","Langmuir : the ACS journal of surfaces and colloids","2011","27","6","2844","2853","10.1021/la104302d","","","0.71073","MoKα","","0.3188","0.1377","","","0.3269","0.4222","","","","","","0.999","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501776","4.819","0.001","9.239","0.002","10.384","0.002","90","","90","","97.16","0.05","458.72","0.17","293","2","293","2","","","","","","","","4","P 1 1 21","P 2c","4","chitin","","","- C8 H13 N O5 -","- C8 H13 N O5 -","- C16 H26 N2 O10 -","2","1","","Nishiyama, Yoshiharu; Noishiki, Yasutomo; Wada, Masahisa","X-ray Structure of Anhydrous β-Chitin at 1 Å Resolution","Macromolecules","2011","44","4","950","","10.1021/ma102240r","","","0.7293","synchrotron","","0.1431","0.0701","","","0.1723","0.2099","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501777","13.613","0.008","18.074","0.012","6.101","0.004","90","","98.365","0.008","90","","1485.1","1.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Si -","- C18 H16 Si -","- C72 H64 Si4 -","4","1","","Liu, Jianzhao; Lam, Jacky W. Y.; Jim, Cathy K. W.; Ng, Jason C. Y.; Shi, Jianbing; Su, Huimin; Yeung, Kwok Fai; Hong, Yuning; Faisal, Mahtab; Yu, Yong; Wong, Kam Sing; Tang, Ben Zhong","Thiol−Yne Click Polymerization: Regio- and Stereoselective Synthesis of Sulfur-Rich Acetylenic Polymers with Controllable Chain Conformations and Tunable Optical Properties","Macromolecules","2011","44","1","68","","10.1021/ma1023473","","","0.71073","MoKα","","0.0649","0.0465","","","0.1011","0.1071","","","","","","1.025","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501778","7.7902","0.0002","10.2879","0.0003","15.8076","0.0004","102.028","0.001","93.015","0.001","106.952","0.001","1176.51","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H52 B2 Fe2 S4 -","- C56 H52 B2 Fe2 S4 -","- C56 H52 B2 Fe2 S4 -","1","0.5","","Li, Haiyan; Sundararaman, Anand; Pakkirisamy, Thilagar; Venkatasubbaiah, Krishnan; Schödel, Frauke; Jäkle, Frieder","Synthesis and Electronic Structure of Ferrocenylborane-Modified Quaterthiophenes and Polythiophenes","Macromolecules","2011","44","1","95","","10.1021/ma1023654","","","1.54178","CuKα","","0.0265","0.0257","","","0.0678","0.0683","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501779","9.777","0.0003","11.5826","0.0004","16.0262","0.0005","81.645","0.002","75.313","0.001","83.325","0.002","1730.94","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H92 B2 Fe2 S4 -","- C82 H92 B2 Fe2 S4 -","- C82 H92 B2 Fe2 S4 -","1","0.5","","Li, Haiyan; Sundararaman, Anand; Pakkirisamy, Thilagar; Venkatasubbaiah, Krishnan; Schödel, Frauke; Jäkle, Frieder","Synthesis and Electronic Structure of Ferrocenylborane-Modified Quaterthiophenes and Polythiophenes","Macromolecules","2011","44","1","95","","10.1021/ma1023654","","","1.54178","CuKα","","0.0761","0.0475","","","0.1073","0.1197","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501780","23.2628","0.0008","8.7389","0.0003","16.6065","0.0006","90","","93.635","0.003","90","","3369.2","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cl2 N2 O4 Zr -","- C36 H40 Cl2 N2 O4 Zr -","- C144 H160 Cl8 N8 O16 Zr4 -","4","0.5","","Theaker, Giles W.; Morton, Colin; Scott, Peter","Zirconium-Catalyzed Polymerization of a Styrene: Catalyst Reactivation Mechanisms Using Alkenes and Dihydrogen","Macromolecules","2011","44","6","1393","","10.1021/ma102835p","","","0.71073","MoKα","","0.0437","0.0301","","","0.0644","0.067","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501781","8.8164","0.0012","9.4888","0.0015","16.959","0.002","75.473","0.011","75.003","0.01","75.112","0.01","1298.3","0.3","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H40 N5 Zr -","- C24 H40 N5 Zr -","- C48 H80 N10 Zr2 -","2","1","","Annunziata, Liana; Pragliola, Stefania; Pappalardo, Daniela; Tedesco, Consiglia; Pellecchia, Claudio","New (Anilidomethyl)pyridine Titanium(IV) and Zirconium(IV) Catalyst Precursors for the Highly Chemo- and Stereoselectivecis-1,4-Polymerization of 1,3-Butadiene","Macromolecules","2011","44","7","1934","","10.1021/ma1028455","","","0.7107","MoKα","","0.0511","0.0447","","","0.1208","0.1369","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501782","8.743","0.003","9.44","0.003","16.825","0.005","96.416","0.003","104.72","0.005","105.838","0.006","1267.4","0.7","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H40 N5 Ti -","- C24 H40 N5 Ti -","- C48 H80 N10 Ti2 -","2","1","","Annunziata, Liana; Pragliola, Stefania; Pappalardo, Daniela; Tedesco, Consiglia; Pellecchia, Claudio","New (Anilidomethyl)pyridine Titanium(IV) and Zirconium(IV) Catalyst Precursors for the Highly Chemo- and Stereoselectivecis-1,4-Polymerization of 1,3-Butadiene","Macromolecules","2011","44","7","1934","","10.1021/ma1028455","","","0.71073","MoKα","","0.1673","0.0814","","","0.162","0.2005","","","","","","0.964","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501783","13.614","0.007","10.374","0.005","15.394","0.008","90","","98.326","0.01","90","","2151.2","1.9","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 N5 Ti -","- C20 H32 N5 Ti -","- C80 H128 N20 Ti4 -","4","1","","Annunziata, Liana; Pragliola, Stefania; Pappalardo, Daniela; Tedesco, Consiglia; Pellecchia, Claudio","New (Anilidomethyl)pyridine Titanium(IV) and Zirconium(IV) Catalyst Precursors for the Highly Chemo- and Stereoselectivecis-1,4-Polymerization of 1,3-Butadiene","Macromolecules","2011","44","7","1934","","10.1021/ma1028455","","","0.71073","MoKα","","0.1447","0.0888","","","0.2129","0.2466","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501784","12.4924","0.0002","15.1082","0.0003","25.6216","0.0005","90","","96.8486","0.0007","90","","4801.26","0.15","123.1","","123.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cl2 N2 Ti -","- C14 H20 Cl2 N2 Ti -","- C168 H240 Cl24 N24 Ti12 -","12","3","","Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan","Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems","Macromolecules","2011","44","7","1986","","10.1021/ma200018z","","","0.71075","MoKα","","","0.0256","","","","0.066","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501785","14.606","0.0003","12.1974","0.0003","20.733","0.0004","90","","90","","90","","3693.69","0.14","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H11 Cl2 N2 Ti -","- C20 H11 Cl2 N2 Ti -","- C160 H88 Cl16 N16 Ti8 -","8","1","","Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan","Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems","Macromolecules","2011","44","7","1986","","10.1021/ma200018z","","","0.71075","MoKα","","","0.0382","","","","0.1054","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501786","6.694","0.0003","17.8966","0.0008","17.2184","0.0007","90","","93.3214","0.0012","90","","2059.3","0.15","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl2 N2 Ti -","- C19 H26 Cl2 N2 Ti -","- C76 H104 Cl8 N8 Ti4 -","4","1","","Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan","Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems","Macromolecules","2011","44","7","1986","","10.1021/ma200018z","","","0.71075","MoKα","","","0.0346","","","","0.1039","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501787","6.6559","0.0004","10.1468","0.0005","11.8754","0.0006","88.737","0.0015","83.429","0.0016","79.4303","0.0015","783.23","0.07","123.1","","123.1","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Cl2 N2 Ti -","- C14 H20 Cl2 N2 Ti -","- C28 H40 Cl4 N4 Ti2 -","2","1","","Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan","Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems","Macromolecules","2011","44","7","1986","","10.1021/ma200018z","","","0.71075","MoKα","","","0.0247","","","","0.0701","","","","","","1.126","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501788","30.917","0.0008","10.5621","0.0003","12.0811","0.0003","90","","92.5986","0.0009","90","","3941.01","0.18","123.1","","123.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 Cl2 N2 Ti -","- C18 H28 Cl2 N2 Ti -","- C144 H224 Cl16 N16 Ti8 -","8","1","","Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan","Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems","Macromolecules","2011","44","7","1986","","10.1021/ma200018z","","","0.71075","MoKα","","","0.0283","","","","0.0748","","","","","","1.097","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501789","21.6705","0.0018","22.7273","0.0019","27.648","0.002","70.874","0.001","88.818","0.001","64.954","0.001","11544.1","1.6","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C462 H376 O12 Si8 -","- C336 H232 O12 Si8 -","- C336 H232 O12 Si8 -","1","0.5","","Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.","Crystalline Hybrid Polyphenylene Macromolecules from Octaalkynylsilsesquioxanes, Crystal Structures, and a Potential Route to 3-D Graphenes","Macromolecules","2011","44","9","3425","","10.1021/ma200081q","","","0.71073","MoKα","","0.0755","0.0566","","","0.1577","0.1655","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501790","32.6146","0.0019","32.6146","0.0019","41.178","0.005","90","","90","","90","","43802","6","85","2","85","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C447 H394 O12 Si8 -","- C447 H394 O12 Si8 -","- C1788 H1576 O48 Si32 -","4","0.5","","Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.","Crystalline Hybrid Polyphenylene Macromolecules from Octaalkynylsilsesquioxanes, Crystal Structures, and a Potential Route to 3-D Graphenes","Macromolecules","2011","44","9","3425","","10.1021/ma200081q","","","0.71073","MoKα","","0.1385","0.1193","","","0.3056","0.3139","","","","","","1.971","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501791","6.446","0.002","5.578","0.0019","22.186","0.007","90","","101.943","0.019","90","","780.4","0.4","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Darensbourg, Donald J.; Moncada, Adriana I.; Wei, Sheng-Hsuan","Aliphatic Polycarbonates Produced from the Coupling of Carbon Dioxide and Oxetanes and Their Depolymerization via Cyclic Carbonate Formation","Macromolecules","2011","44","8","2568","","10.1021/ma2002323","","","1.54178","CuKα","","0.1702","0.15","","","0.3127","0.3205","","","","","","1.214","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501792","17.268","0.009","18.138","0.01","11.499","0.005","90","","106.48","0.02","90","","3454","3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cl Cr N2 O6 -","- C36 H36 Cl Cr N2 O6 -","- C144 H144 Cl4 Cr4 N8 O24 -","4","1","","Darensbourg, Donald J.; Moncada, Adriana I.; Wei, Sheng-Hsuan","Aliphatic Polycarbonates Produced from the Coupling of Carbon Dioxide and Oxetanes and Their Depolymerization via Cyclic Carbonate Formation","Macromolecules","2011","44","8","2568","","10.1021/ma2002323","","","1.54184","CuKα","","0.2425","0.0839","","","0.1144","0.1654","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501793","9.1472","0.0003","11.3899","0.0005","32.6773","0.001","90","","90","","90","","3404.5","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 F6 O6 P2 Pd S2 -","- C26 H44 F6 O6 P2 Pd S2 -","- C104 H176 F24 O24 P8 Pd4 S8 -","4","1","","Stempfle, Florian; Quinzler, Dorothee; Heckler, Ilona; Mecking, Stefan","Long-Chain Linear C19and C23Monomers and Polycondensates from Unsaturated Fatty Acid Esters","Macromolecules","2011","44","11","4159","","10.1021/ma200627e","","","0.71073","MoKα","","0.029","0.0253","","","0.0601","0.0607","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501794","10.3089","0.0003","14.8531","0.0004","15.1994","0.0005","90","","100.612","0.002","90","","2287.51","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N4 O10 -","- C24 H24 N4 O10 -","- C96 H96 N16 O40 -","4","1","","Smith, Adam J.; Kavuru, Padmini; Wojtas, Lukasz; Zaworotko, Michael J.; Shytle, R. Douglas","Cocrystals of quercetin with improved solubility and oral bioavailability.","Molecular pharmaceutics","2011","8","5","1867","1876","10.1021/mp200209j","","","1.54178","CuKα","","0.062","0.0434","","","0.109","0.1225","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501795","4.978","0.001","12.636","0.003","15.571","0.003","110.53","0.03","97.63","0.03","99.39","0.03","885.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O8 -","- C21 H16 N2 O8 -","- C42 H32 N4 O16 -","2","1","","Smith, Adam J.; Kavuru, Padmini; Wojtas, Lukasz; Zaworotko, Michael J.; Shytle, R. Douglas","Cocrystals of quercetin with improved solubility and oral bioavailability.","Molecular pharmaceutics","2011","8","5","1867","1876","10.1021/mp200209j","","","0.71073","MoKα","","0.089","0.0592","","","0.1267","0.1418","","","","","","1.091","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501796","6.7198","0.0002","12.2064","0.0004","8.2198","0.0002","90","","107.746","0.001","90","","642.14","0.03","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Lu, Yi; Li, Po-Ju; Hung, Wen-Yu; Su, Jui-Hsin; Wen, Zhi-Hong; Hsu, Chi-Hsin; Dai, Chang-Feng; Chiang, Michael Y.; Sheu, Jyh-Horng","Nardosinane sesquiterpenoids from the Formosan soft coral Lemnalia flava.","Journal of natural products","2011","74","2","169","174","10.1021/np100541a","","","0.71073","MoKα","","0.0273","0.0271","","","0.0739","0.074","","","","","","1.1","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501797","8.933","0.002","9.339","0.002","9.9444","0.0018","116.449","0.007","100.762","0.011","92.763","0.012","721.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H17 N3 O7 -","- C12 H17 N3 O7 -","- C24 H34 N6 O14 -","2","1","","Ma, Cheng; Li, Yan; Niu, Shubin; Zhang, Hua; Liu, Xingzhong; Che, Yongsheng","N-hydroxypyridones, phenylhydrazones, and a quinazolinone from Isaria farinosa.","Journal of natural products","2011","74","1","32","37","10.1021/np100568w","","","0.71073","MoKα","","0.0564","0.0531","","","0.1448","0.1472","","","","","","1.222","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501798","11.916","0.002","6.673","0.0013","21.319","0.004","90","","90.46","0.03","90","","1695.1","0.5","293","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O5 -","- C18.75 H22.25 N O5 -","- C75 H89 N4 O20 -","4","2","","He, Li; Zhang, Yuan-Hu; Guan, Huan-Yu; Zhang, Jian-Xin; Sun, Qian-Yun; Hao, Xiao-Jiang","Cepharatines A-D, hasubanan-type alkaloids from Stephania cepharantha.","Journal of natural products","2011","74","2","181","184","10.1021/np1005696","","","1.54178","CuKα","","0.0609","0.0551","","","0.161","0.1684","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501799","9.393","0.001","14.905","0.001","19.192","0.001","90","","90","","90","","2686.9","0.4","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O9 -","- C28 H38 O9 -","- C112 H152 O36 -","4","1","","Tang, Wen-Zhao; Ma, Shuang-Gang; Qu, Jing; Yu, Shi-Shan; Liu, Yun-Bao; Su, Dong-Min; Liu, Jing","Dimeric prenylated C6-C3 compounds from the stem bark of Illicium oligandrum.","Journal of natural products","2011","74","5","1268","1271","10.1021/np100651n","","","0.71073","MoKα","","0.0484","0.0463","","","0.1237","0.1264","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501800","9.2997","0.0003","6.9294","0.0003","10.8143","0.0005","90","","112.279","0.002","90","","644.86","0.05","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N O7 -","- C14 H15 N O7 -","- C28 H30 N2 O14 -","2","1","","McNulty, James; Thorat, Amol; Vurgun, Nesrin; Nair, Jerald J.; Makaji, Emilija; Crankshaw, Denis J.; Holloway, Alison C.; Pandey, Siyaram","Human cytochrome P450 liability studies of trans-dihydronarciclasine: a readily available, potent, and selective cancer cell growth inhibitor.","Journal of natural products","2011","74","1","106","108","10.1021/np100657w","","","1.54178","CuKα","","0.0317","0.0309","","","0.0852","0.0859","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501801","7.7877","0.0011","13.9979","0.0013","15.583","0.0016","90","","90","","90","","1698.7","0.3","120","2","120","2","","","","","","","'natural product isolated from the brown alga Dilophus Spiralis'","3","P 21 21 21","P 2ac 2ab","19","(1R,3E,7S,8S,11S,12S)-7,8-epoxy-14-oxo-3,18-dolabelladiene","(1aS,4E,6aR,9S,9aS,11aS)-9-isopropenyl-4,6a,11a-trimethyl-2,3,6,6a,8,9,9a, 10,11,11a-decahydrocyclopenta[5,6]cycloundeca[1,2-b]oxiren-7(1aH)-one","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","","Ioannou, Efstathia; Quesada, Antonio; Rahman, M. Mukhlesur; Gibbons, Simon; Vagias, Constantinos; Roussis, Vassilios","Dolabellanes with antibacterial activity from the brown alga Dilophus spiralis.","Journal of natural products","2011","74","2","213","222","10.1021/np1006586","","","0.71073","MoKα","","0.0722","0.045","","","0.0939","0.108","","","","","","0.994","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501802","11.5246","0.0011","5.8509","0.0006","42.613","0.004","90","","93.203","0.009","90","","2868.9","0.5","152","2","152","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C30 H46 O4 S -","- C30 H46 O4 S -","- C120 H184 O16 S4 -","4","1","","Gawas, Dnyaneshwar; Garcia, Ronald; Huch, Volker; Müller, Rolf","A highly conjugated dihydroxylated C28 steroid from a myxobacterium.","Journal of natural products","2011","74","5","1281","1283","10.1021/np100682c","","","0.71073","MoKα","","0.1385","0.1174","","","0.2733","0.2785","","","","","","2.395","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501803","10.534","0.002","14.952","0.003","33.511","0.007","90","","90","","90","","5278.1","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H79 N6 O13.5 -","- C49 H79 N6 O13.5 -","- C196 H316 N24 O54 -","4","1","","Montaser, Rana; Abboud, Khalil A.; Paul, Valerie J.; Luesch, Hendrik","Pitiprolamide, a proline-rich dolastatin 16 analogue from the marine cyanobacterium Lyngbya majuscula from Guam.","Journal of natural products","2011","74","1","109","112","10.1021/np1006839","","","0.71073","MoKα","","0.1639","0.0499","","","0.0626","0.0812","","","","","","0.727","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501804","8.583","0.002","9.549","0.003","11.107","0.003","73.568","0.004","69.697","0.003","67.017","0.004","774.5","0.4","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H23.5 O5 -","- C15 H23.5 O5 -","- C30 H47 O10 -","2","2","","Li, Guohong; Liu, Fangfang; Shen, Lan; Zhu, Huajie; Zhang, Keqin","Stereumins H-J, stereumane-type sesquiterpenes from the fungus Stereum sp.","Journal of natural products","2011","74","2","296","299","10.1021/np100813f","","","0.71073","MoKα","","0.2028","0.0875","","","0.1952","0.2622","","","","","","1.044","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501805","9.90868","0.00012","34.4359","0.0006","14.3561","0.00016","90","","90","","90","","4898.51","0.12","293","2","293","2","","","","","","","","4","C 2 2 2","C 2 2","21","","","","- C9 H20 Cl N -","- C9 H20 Cl N -","- C144 H320 Cl16 N16 -","16","2","","Kavala, Miroslav; Mathia, František; Kožíšek, Jozef; Szolcsányi, Peter","Efficient total synthesis of (+)-dihydropinidine, (-)-epidihydropinidine, and (-)-pinidinone.","Journal of natural products","2011","74","4","803","808","10.1021/np100852p","","","1.54184","CuKα","","0.0684","0.0655","","","0.2134","0.2177","","","","","","1.13","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501806","7.3433","0.0003","11.4642","0.0004","9.1189","0.0003","90","","107.807","0.002","90","","730.9","0.05","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O5 -","- C17 H18 O5 -","- C34 H36 O10 -","2","1","","Wong, Su-Ling; Chang, Hsun-Shuo; Wang, Guei-Jane; Chiang, Michael Y.; Huang, Hung-Yi; Chen, Chu-Huang; Tsai, Shiow-Chwen; Lin, Chu-Hung; Chen, Ih-Sheng","Secondary metabolites from the roots of Neolitsea daibuensis and their anti-inflammatory activity.","Journal of natural products","2011","74","12","2489","2496","10.1021/np100874f","","","0.71073","MoKα","","0.026","0.0254","","","0.0633","0.0637","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501807","7.2182","0.0002","8.5374","0.0003","12.1649","0.0004","90","","99.722","0.002","90","","738.89","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Cbz-dolamethylleuine","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","","Pettit, George R.; Smith, Thomas H.; Xu, Jun-Ping; Herald, Delbert L.; Flahive, Erik J.; Anderson, Collin R.; Belcher, Paul E.; Knight, John C.","Antineoplastic agents. 590. X-ray crystal structure of dolastatin 16 and syntheses of the dolamethylleuine and dolaphenvaline units.","Journal of natural products","2011","74","5","1003","1008","10.1021/np100877h","","","1.54178","CuKα","","0.0877","0.0597","","","0.1574","0.2262","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501808","10.844","0.005","16.113","0.005","16.05","0.005","90","0.005","104.062","0.005","90","0.005","2720.4","1.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Dolastatin-16","","","- C49 H79 N7 O13 -","- C49 H73 N7 O13 -","- C98 H146 N14 O26 -","2","1","","Pettit, George R.; Smith, Thomas H.; Xu, Jun-Ping; Herald, Delbert L.; Flahive, Erik J.; Anderson, Collin R.; Belcher, Paul E.; Knight, John C.","Antineoplastic agents. 590. X-ray crystal structure of dolastatin 16 and syntheses of the dolamethylleuine and dolaphenvaline units.","Journal of natural products","2011","74","5","1003","1008","10.1021/np100877h","","","1.54178","CuKα","","0.051","0.0429","","","0.1144","0.1485","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501809","7.9918","0.0005","6.385","0.0005","13.4458","0.0011","90","","103.181","0.001","90","","668.03","0.09","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","?'TFA-dolaphenvaline'","","","- C13 H14 F3 N O3 -","- C13 H14 F3 N O3 -","- C26 H28 F6 N2 O6 -","2","1","","Pettit, George R.; Smith, Thomas H.; Xu, Jun-Ping; Herald, Delbert L.; Flahive, Erik J.; Anderson, Collin R.; Belcher, Paul E.; Knight, John C.","Antineoplastic agents. 590. X-ray crystal structure of dolastatin 16 and syntheses of the dolamethylleuine and dolaphenvaline units.","Journal of natural products","2011","74","5","1003","1008","10.1021/np100877h","","","0.71073","MoKα","","0.0289","0.0284","","","0.0721","0.0726","","","","","","1.106","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501810","5.8825","0.0001","8.9553","0.0002","14.6363","0.00015","90","","100.671","0.001","90","","757.7","0.02","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C34 H44 O8 -","2","1","","Huang, Hongbo; Feng, Xiaojun; Xiao, Ze'en; Liu, Lan; Li, Hanxiang; Ma, Lin; Lu, Yongjun; Ju, Jianhua; She, Zhigang; Lin, Yongcheng","Azaphilones and p-terphenyls from the mangrove endophytic fungus Penicillium chermesinum (ZH4-E2) isolated from the South China Sea.","Journal of natural products","2011","74","5","997","1002","10.1021/np100889v","","","1.5418","CuKα","","0.0344","0.0308","","","0.0744","0.0772","","","","","","1.077","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501811","7.7118","0.0012","10.43","0.003","25.351","0.007","90","","90","","90","","2039.1","0.9","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 N O3 -","- C22 H33 N O3 -","- C88 H132 N4 O12 -","4","1","","Chou, Bo-Hon; Yang, Li-Ming; Chang, Shwu-Fen; Hsu, Feng-Lin; Wang, Li-Hsuan; Lin, Wen-Kuang; Liu, Pan-Chun; Lin, Shwu-Jiuan","Transformation of isosteviol lactam by fungi and the suppressive effects of its transformed products on LPS-induced iNOS expression in macrophages.","Journal of natural products","2011","74","6","1379","1385","10.1021/np100915q","","","1.54178","CuKα","","0.153","0.0611","","","0.1239","0.165","","","","","","0.976","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501812","12.1972","0.001","8.9304","0.0005","18.0154","0.0014","90","","90.176","0.005","90","","1962.3","0.2","90","0.5","90","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O6 -","- C22 H32 O6 -","- C88 H128 O24 -","4","2","","Wu, Hankui; Fronczek, Frank R.; Ferreira, Daneel; Burandt, Jr, Charles L; Zjawiony, Jordan K.","Labdane diterpenoids from Leonurus sibiricus.","Journal of natural products","2011","74","4","831","836","10.1021/np100956k","","","1.54178","CuKα","","0.0282","0.0279","","","0.0742","0.0747","","","","","","1.052","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501813","11.373","0.003","11.703","0.002","15.508","0.003","90","","90","","90","","2064.1","0.8","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O7 -","- C22 H34 O7 -","- C88 H136 O28 -","4","1","","Wu, Hankui; Fronczek, Frank R.; Ferreira, Daneel; Burandt, Jr, Charles L; Zjawiony, Jordan K.","Labdane diterpenoids from Leonurus sibiricus.","Journal of natural products","2011","74","4","831","836","10.1021/np100956k","","","1.54178","CuKα","","0.075","0.052","","","0.119","0.131","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501814","11.3687","0.0009","11.7108","0.0009","15.5053","0.0011","90","","90","","90","","2064.3","0.3","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O7 -","- C22 H34 O7 -","- C88 H136 O28 -","4","1","","Wu, Hankui; Fronczek, Frank R.; Ferreira, Daneel; Burandt, Jr, Charles L; Zjawiony, Jordan K.","Labdane diterpenoids from Leonurus sibiricus.","Journal of natural products","2011","74","4","831","836","10.1021/np100956k","","","1.54178","CuKα","","0.0315","0.0313","","","0.0735","0.0736","","","","","","1.099","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501815","12.491","0.0002","13.4647","0.0002","34.3327","0.0005","90","","90","","90","","5774.33","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 O9 -","- C32 H40 O9 -","- C256 H320 O72 -","8","2","","Najmuldeen, Ibrahim A.; Hadi, A Hamid A; Awang, Khalijah; Mohamad, Khalit; Ketuly, Kamal Aziz; Mukhtar, Mat Ropi; Chong, Soon-Lim; Chan, Gomathi; Nafiah, Mohd Azlan; Weng, Ng Seik; Shirota, Osamu; Hosoya, Takahiro; Nugroho, Alfarius E.; Morita, Hiroshi","Chisomicines A-C, limonoids from Chisocheton ceramicus.","Journal of natural products","2011","74","5","1313","1317","10.1021/np200013g","","","0.71073","MoKα","","0.0573","0.0479","","","0.122","0.1288","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501816","10.3372","0.0003","16.3424","0.0003","13.1251","0.0004","90","","93.2976","0.0012","90","","2213.61","0.1","150","","150","","","","","","","","Maytenus mekongensis","4","P 1 21 1","P 2yb","4","7-epi-mekongensine","","","- C45 H51 N O20 -","- C45 H51 N O20 -","- C90 H102 N2 O40 -","2","1","","Lhinhatrakool, Thitima; Prabpai, Samran; Kongsaeree, Palangpon; Sutthivaiyakit, Somyote","Antiplasmodial sesquiterpene alkaloids from the roots of Maytenus mekongensis.","Journal of natural products","2011","74","6","1386","1391","10.1021/np200014k","","x-ray","0.71073","MoKα","","0.0898","0.0604","","","0.1419","0.1584","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501817","15.595","0.003","11.656","0.002","17.393","0.004","90","","114.91","0.03","90","","2867.5","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Penipanoid A","2-(5-(4-hydroxybenzyl)-1H-1,2,4-triazol-1-yl)benzoic acid","","- C16 H13 N3 O3 -","- C16 H13 N3 O3 -","- C128 H104 N24 O24 -","8","2","","Li, Chun-Shun; An, Chun-Yan; Li, Xiao-Ming; Gao, Shu-Shan; Cui, Chuan-Ming; Sun, Hao-Fen; Wang, Bin-Gui","Triazole and dihydroimidazole alkaloids from the marine sediment-derived fungus Penicillium paneum SD-44.","Journal of natural products","2011","74","5","1331","1334","10.1021/np200037z","","","0.71073","MoKα","","","0.0481","","","0.1222","0.129","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501818","13.846","0.004","6.1634","0.0017","15.497","0.004","90","","105.886","0.015","90","","1272","0.6","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O5 -","- C29 H42 O5 -","- C58 H84 O10 -","2","1","","Chao, Chih-Hua; Chou, Kuei-Ju; Wen, Zhi-Hong; Wang, Guey-Horng; Wu, Yang-Chang; Dai, Chang-Feng; Sheu, Jyh-Horng","Paraminabeolides A-F, cytotoxic and anti-inflammatory marine withanolides from the soft coral Paraminabea acronocephala.","Journal of natural products","2011","74","5","1132","1141","10.1021/np2000705","","","0.71073","MoKα","","0.0301","0.0285","","","0.0692","0.0725","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501819","6.5336","0.0005","14.5778","0.001","23.6095","0.0016","90","","90","","90","","2248.7","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 O3 -","- C27 H38 O3 -","- C108 H152 O12 -","4","1","","Chao, Chih-Hua; Chou, Kuei-Ju; Wen, Zhi-Hong; Wang, Guey-Horng; Wu, Yang-Chang; Dai, Chang-Feng; Sheu, Jyh-Horng","Paraminabeolides A-F, cytotoxic and anti-inflammatory marine withanolides from the soft coral Paraminabea acronocephala.","Journal of natural products","2011","74","5","1132","1141","10.1021/np2000705","","","0.71073","mokα","","0.0385","0.037","","","0.0886","0.0894","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501820","9.84","0.005","18.655","0.007","10.168","0.005","90","","101.518","0.016","90","","1828.9","1.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H44 O14 -","- C39.45 H41.7 O13.35 -","- C78.9 H83.4 O26.7 -","2","1","","Fang, Ping-Lei; Cao, Ying-Li; Yan, Huan; Pan, Li-Li; Liu, Shu-Cong; Gong, Ning-Bo; Lü, Yang; Chen, Chang-Xiang; Zhong, Hui-Min; Guo, Ying; Liu, Hai-Yang","Lindenane disesquiterpenoids with anti-HIV-1 activity from Chloranthus japonicus.","Journal of natural products","2011","74","6","1408","1413","10.1021/np200087d","","","1.54187","CuKα","","0.07","0.0673","","","0.1852","0.1909","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1501821","6.1059","0.0001","12.3606","0.0002","34.9384","0.0006","90","","90","","90","","2636.89","0.08","293","2","293","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C27.5 H48 O5.5 -","- C27.5 H48 O5.5 -","- C110 H192 O22 -","4","1","","Challinor, Victoria L.; Stuthe, Julia M. U.; Bernhardt, Paul V.; Lehmann, Reginald P.; Kitching, William; De Voss, James J.","Structure and absolute configuration of helosides A and B, new saponins from Chamaelirium luteum.","Journal of natural products","2011","74","7","1557","1560","10.1021/np200100a","","x-ray","1.54184","CuKα","","0.0637","0.0593","","","0.1813","0.1866","","","","","","1.04","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501822","11.9928","0.0003","12.0355","0.0003","12.1352","0.0009","90","","90","","90","","1751.59","0.14","153","","153","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Tsukada, Mariko; Fukai, Miyuki; Miki, Kazuhiko; Shiraishi, Takeshi; Suzuki, Toshihiro; Nishio, Kazuto; Sugita, Takashi; Ishino, Masahiro; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Chemical constituents of a marine fungus, Arthrinium sacchari.","Journal of natural products","2011","74","7","1645","1649","10.1021/np200108h","","","1.54187","CuKα","","","0.0425","","","","0.1015","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501823","11.3885","0.0003","11.8068","0.0005","12.5872","0.0009","90","","90","","90","","1692.5","0.15","153","","153","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","","Tsukada, Mariko; Fukai, Miyuki; Miki, Kazuhiko; Shiraishi, Takeshi; Suzuki, Toshihiro; Nishio, Kazuto; Sugita, Takashi; Ishino, Masahiro; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Chemical constituents of a marine fungus, Arthrinium sacchari.","Journal of natural products","2011","74","7","1645","1649","10.1021/np200108h","","","1.54187","CuKα","","","0.0415","","","","0.1015","","","","","","1.117","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501824","10.5854","0.0007","7.81311","0.00015","10.6146","0.0008","90","","98.851","0.007","90","","867.43","0.09","93.1","","93.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C40 H48 O10 -","2","1","","Tsukada, Mariko; Fukai, Miyuki; Miki, Kazuhiko; Shiraishi, Takeshi; Suzuki, Toshihiro; Nishio, Kazuto; Sugita, Takashi; Ishino, Masahiro; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Chemical constituents of a marine fungus, Arthrinium sacchari.","Journal of natural products","2011","74","7","1645","1649","10.1021/np200108h","","","1.54187","CuKα","","","0.0509","","","","0.1374","","","","","","1.126","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501825","10.9434","0.0002","12.4201","0.0002","22.1019","0.0004","90","","90","","90","","3004.05","0.09","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 O5 -","- C16 H24 O5 -","- C128 H192 O40 -","8","2","","Li, Hanxiang; Huang, Hongbo; Shao, Changlun; Huang, Huarong; Jiang, Jieyi; Zhu, Xun; Liu, Yayue; Liu, Lan; Lu, Yongjun; Li, Mengfeng; Lin, Yongcheng; She, Zhigang","Cytotoxic norsesquiterpene peroxides from the endophytic fungus Talaromyces flavus isolated from the mangrove plant Sonneratia apetala.","Journal of natural products","2011","74","5","1230","1235","10.1021/np200164k","","","1.54178","CuKα","","0.0391","0.0361","","","0.0912","0.0928","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501826","8.738","0.0001","12.2728","0.0001","14.3159","0.0001","90","","97.163","0.001","90","","1523.25","0.02","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O5 -","- C16 H24 O5 -","- C64 H96 O20 -","4","2","","Li, Hanxiang; Huang, Hongbo; Shao, Changlun; Huang, Huarong; Jiang, Jieyi; Zhu, Xun; Liu, Yayue; Liu, Lan; Lu, Yongjun; Li, Mengfeng; Lin, Yongcheng; She, Zhigang","Cytotoxic norsesquiterpene peroxides from the endophytic fungus Talaromyces flavus isolated from the mangrove plant Sonneratia apetala.","Journal of natural products","2011","74","5","1230","1235","10.1021/np200164k","","","1.54178","CuKα","","0.0312","0.0293","","","0.0736","0.0751","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501827","7.3125","0.0002","12.4303","0.0005","13.9596","0.0007","90","","90","","90","","1268.88","0.09","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Li, Hanxiang; Huang, Hongbo; Shao, Changlun; Huang, Huarong; Jiang, Jieyi; Zhu, Xun; Liu, Yayue; Liu, Lan; Lu, Yongjun; Li, Mengfeng; Lin, Yongcheng; She, Zhigang","Cytotoxic norsesquiterpene peroxides from the endophytic fungus Talaromyces flavus isolated from the mangrove plant Sonneratia apetala.","Journal of natural products","2011","74","5","1230","1235","10.1021/np200164k","","","1.54178","CuKα","","0.0265","0.0258","","","0.0661","0.0666","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501828","7.726","0.013","6.353","0.01","23.42","0.04","90","","93.2","0.02","90","","1148","3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H33 O7 -","- C22 H33 O7 -","- C44 H66 O14 -","2","1","","Wei, Lu-Xia; Zhang, Hui-Xiang; Tan, Jian-Lin; Chu, Yan-Sheng; Li, Nan; Xue, Hua-Xi; Wang, Yan-Li; Niu, Xue-Mei; Zhang, Ying; Zhang, Ke-Qin","Arthrobotrisins A-C, oligosporons from the nematode-trapping fungus Arthrobotrys oligospora.","Journal of natural products","2011","74","6","1526","1530","10.1021/np200187z","","","0.71073","MoKα","","0.15","0.0714","","","0.1497","0.1917","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501829","8.0495","0.0003","17.7248","0.0006","19.2463","0.0007","90","","90","","90","","2745.98","0.17","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O4 -","- C30 H46 O4 -","- C120 H184 O16 -","4","1","","Cheng, Shi-Yie; Wang, Chao-Min; Hsu, Yuan-Man; Huang, Tsurng-Juhn; Chou, Shen-Chieh; Lin, En-Hung; Chou, Chang-Hung","Oleanane-type triterpenoids from the leaves and twigs of Fatsia polycarpa.","Journal of natural products","2011","74","8","1744","1750","10.1021/np2002435","","x-ray","0.71073","MoKα","","0.0569","0.0444","","","0.1066","0.1109","","","","","","0.934","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501830","11.1004","0.0002","12.7518","0.0003","20.9205","0.0004","90","","90","","90","","2961.3","0.1","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C120 H184 O12 -","4","1","","Cheng, Shi-Yie; Wang, Chao-Min; Hsu, Yuan-Man; Huang, Tsurng-Juhn; Chou, Shen-Chieh; Lin, En-Hung; Chou, Chang-Hung","Oleanane-type triterpenoids from the leaves and twigs of Fatsia polycarpa.","Journal of natural products","2011","74","8","1744","1750","10.1021/np2002435","","x-ray","0.71073","MoKα","","0.0616","0.0519","","","0.1487","0.1534","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501831","6.7903","0.0006","7.0914","0.0005","14.7228","0.0013","78.885","0.007","81.171","0.007","63.15","0.008","618.86","0.1","110","2","110","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C30 H46 O3 -","1","1","","Cheng, Shi-Yie; Wang, Chao-Min; Hsu, Yuan-Man; Huang, Tsurng-Juhn; Chou, Shen-Chieh; Lin, En-Hung; Chou, Chang-Hung","Oleanane-type triterpenoids from the leaves and twigs of Fatsia polycarpa.","Journal of natural products","2011","74","8","1744","1750","10.1021/np2002435","","x-ray","0.71073","MoKα","","0.0849","0.0631","","","0.1479","0.1561","","","","","","0.921","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501832","24.5968","0.0006","10.0636","0.0002","14.663","0.0004","90","","90","","90","","3629.57","0.15","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C35 H54 N O14.5 -","- C35 H45 N O14.5 -","- C140 H180 N4 O58 -","4","1","","Rateb, Mostafa E.; Houssen, Wael E.; Arnold, Markus; Abdelrahman, Mostafa H.; Deng, Hai; Harrison, William T. A.; Okoro, Chinyere K.; Asenjo, Juan A.; Andrews, Barbara A.; Ferguson, Gail; Bull, Alan T.; Goodfellow, Michael; Ebel, Rainer; Jaspars, Marcel","Chaxamycins A-D, bioactive ansamycins from a hyper-arid desert Streptomyces sp.","Journal of natural products","2011","74","6","1491","1499","10.1021/np200320u","","","0.71073","MoKα","","0.2172","0.1986","","","0.3998","0.4102","","","","","","1.165","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1501833","9.873","0.002","14.759","0.004","15.008","0.003","90","","90","","90","","2186.9","0.9","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 O5 -","- C24 H38 O5 -","- C96 H152 O20 -","4","1","","Ciavatta, Maria Letizia; Manzo, Emiliano; Mollo, Ernesto; Mattia, Carlo Andrea; Tedesco, Consiglia; Irace, Carlo; Guo, Yue-Wei; Li, Xiu-Bao; Cimino, Guido; Gavagnin, Margherita","Tritoniopsins A-D, cladiellane-based diterpenes from the South China Sea nudibranch Tritoniopsis elegans and its prey Cladiella krempfi.","Journal of natural products","2011","74","9","1902","1907","10.1021/np200342k","","","1.54178","CuKα","","0.0985","0.0691","","","0.1886","0.2781","","","","","","1.119","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501834","16.0472","0.001","8.5891","0.0005","15.6785","0.0009","90","","116.563","0.001","90","","1932.9","0.2","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C92 H84 N12 O12 -","4","1","","Huang, Hongbo; Yao, Yueliang; He, Zhengxiang; Yang, Tingting; Ma, Junying; Tian, Xinpeng; Li, Yayong; Huang, Caiguo; Chen, Xiaoping; Li, Wenjun; Zhang, Si; Zhang, Changsheng; Ju, Jianhua","Antimalarial β-carboline and indolactam alkaloids from Marinactinospora thermotolerans, a deep sea isolate.","Journal of natural products","2011","74","10","2122","2127","10.1021/np200399t","","","0.71073","MoKα","","0.0644","0.0431","","","0.1061","0.1179","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501835","7.2659","0.0005","14.0034","0.0009","13.9617","0.0009","90","","97.446","0.002","90","","1408.59","0.16","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)cereotrypethelone","","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","2","","Elsebai, Mahmoud Fahmi; Natesan, Lavanya; Kehraus, Stefan; Mohamed, Ietidal E.; Schnakenburg, Gregor; Sasse, Florenz; Shaaban, Saad; Gütschow, Michael; König, Gabriele M","HLE-inhibitory alkaloids with a polyketide skeleton from the marine-derived fungus Coniothyrium cereale.","Journal of natural products","2011","74","10","2282","2285","10.1021/np2004227","","","0.71073","MoKα","","0.0479","0.0399","","","0.1045","0.1102","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501836","8.4601","0.0017","11.033","0.002","18.202","0.004","90","","90","","90","","1699","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O10 -","- C14.92 H20.56 O10 -","- C59.68 H82.24 O40 -","4","1","","Yu, Yang; Song, Weixia; Zhu, Chenggen; Lin, Sheng; Zhao, Feng; Wu, Xiuli; Yue, Zhenggang; Liu, Bo; Wang, Sujuan; Yuan, Shaopeng; Hou, Qi; Shi, Jiangong","Homosecoiridoids from the flower buds of Lonicera japonica.","Journal of natural products","2011","74","10","2151","2160","10.1021/np2004566","","","1.54178","CuKα","","0.0864","0.0658","","","0.1517","0.1682","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501837","8.8119","0.0005","11.8088","0.0004","25.8659","0.0015","90","","90","","90","","2691.6","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O4 -","- C28 H40 O4 -","- C112 H160 O16 -","4","1","","Rateb, Mostafa E.; Houssen, Wael E.; Harrison, William T. A.; Deng, Hai; Okoro, Chinyere K.; Asenjo, Juan A.; Andrews, Barbara A.; Bull, Alan T.; Goodfellow, Michael; Ebel, Rainer; Jaspars, Marcel","Diverse metabolic profiles of a Streptomyces strain isolated from a hyper-arid environment.","Journal of natural products","2011","74","9","1965","1971","10.1021/np200470u","","","0.71073","MoKα","","0.0627","0.0444","","","0.0863","0.0939","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501838","10.2388","0.0005","12.9739","0.0008","30.5211","0.0016","90","","90","","90","","4054.3","0.4","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C39 H56 O15 -","- C39 H56 O15 -","- C156 H224 O60 -","4","1","","Xu, Jing; Guo, Yuanqiang; Xie, Chunfeng; Li, Yushan; Gao, Jie; Zhang, Tiejun; Hou, Wenbin; Fang, Lingzhi; Gui, Liping","Bioactive myrsinol diterpenoids from the roots of Euphorbia prolifera.","Journal of natural products","2011","74","10","2224","2230","10.1021/np200591h","","","1.54187","CuKα","","0.052","0.0503","","","0.1106","0.1132","","","","","","1.113","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501839","5.63332","0.00009","10.58166","0.00016","13.6258","0.0002","90","","101.109","0.0016","90","","797.01","0.02","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C36 H44 O8 -","2","0.5","","Barrett, Tim N.; Braddock, D. Christopher; Monta, Anna; Webb, Michael R.; White, Andrew J. P.","Total synthesis of the marine metabolite (±)-polysiphenol via highly regioselective intramolecular oxidative coupling.","Journal of natural products","2011","74","9","1980","1984","10.1021/np200596q","","","1.54184","CuKα","","0.0354","0.0337","","","0.0946","0.0962","","","","","","1.089","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501840","4.58461","0.00019","7.2511","0.0002","27.3156","0.0009","90","","94.269","0.004","90","","905.55","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br2 O4 -","- C18 H20 Br2 O4 -","- C36 H40 Br4 O8 -","2","0.5","","Barrett, Tim N.; Braddock, D. Christopher; Monta, Anna; Webb, Michael R.; White, Andrew J. P.","Total synthesis of the marine metabolite (±)-polysiphenol via highly regioselective intramolecular oxidative coupling.","Journal of natural products","2011","74","9","1980","1984","10.1021/np200596q","","","0.71073","MoKα","","0.0535","0.0315","","","0.0723","0.0756","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501841","4.39738","0.00009","13.7231","0.0003","14.4505","0.0004","90","","94.203","0.002","90","","869.68","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Br2 O4 -","- C18 H18 Br2 O4 -","- C36 H36 Br4 O8 -","2","0.5","","Barrett, Tim N.; Braddock, D. Christopher; Monta, Anna; Webb, Michael R.; White, Andrew J. P.","Total synthesis of the marine metabolite (±)-polysiphenol via highly regioselective intramolecular oxidative coupling.","Journal of natural products","2011","74","9","1980","1984","10.1021/np200596q","","","1.54184","CuKα","","0.0368","0.0302","","","0.0781","0.0813","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501842","7.155","0.0008","25.307","0.002","12.8341","0.00011","90","","123.88","0.002","90","","1929.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Fu, Peng; Liu, Peipei; Qu, Haijun; Wang, Yi; Chen, Dianfeng; Wang, Hui; Li, Jing; Zhu, Weiming","Α-pyrones and diketopiperazine derivatives from the marine-derived actinomycete Nocardiopsis dassonvillei HR10-5.","Journal of natural products","2011","74","10","2219","2223","10.1021/np200597m","","","0.71073","MoKα","","0.1468","0.0525","","","0.0764","0.0882","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501843","31.391","0.014","7.212","0.003","12.407","0.005","90","","103.261","0.006","90","","2734","2","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H48 O5 -","- C30 H48 O5 -","- C120 H192 O20 -","4","1","","Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan","Tirucallane-type triterpenoids from Dysoxylum lenticellatum.","Journal of natural products","2011","74","10","2235","2242","10.1021/np2006296","","","0.71073","MoKα","","0.1492","0.0649","","","0.1406","0.1886","","","","","","0.948","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501844","31.267","0.006","6.8755","0.0014","14.753","0.003","90","","111.429","0.002","90","","2952.3","1","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H38 O5 -","- C27 H38 O5 -","- C108 H152 O20 -","4","1","","Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan","Tirucallane-type triterpenoids from Dysoxylum lenticellatum.","Journal of natural products","2011","74","10","2235","2242","10.1021/np2006296","","","0.71073","MoKα","","0.0924","0.0749","","","0.2065","0.224","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501845","7.5","0.007","17.596","0.016","10.344","0.009","90","","98.773","0.009","90","","1349","2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O4 -","- C30 H46 O4 -","- C60 H92 O8 -","2","1","","Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan","Tirucallane-type triterpenoids from Dysoxylum lenticellatum.","Journal of natural products","2011","74","10","2235","2242","10.1021/np2006296","","","0.71073","MoKα","","0.0573","0.0434","","","0.1014","0.1095","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501846","7.541","0.008","10.852","0.011","36.43","0.04","90","","90","","90","","2981","5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 O4 -","- C32 H52 O4 -","- C128 H208 O16 -","4","1","","Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan","Tirucallane-type triterpenoids from Dysoxylum lenticellatum.","Journal of natural products","2011","74","10","2235","2242","10.1021/np2006296","","","0.71073","MoKα","","0.1295","0.0833","","","0.2153","0.2472","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501847","7.299","0.005","16.568","0.012","23.238","0.017","90","","90","","90","","2810","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O5 -","- C31 H46 O5 -","- C124 H184 O20 -","4","1","","Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan","Tirucallane-type triterpenoids from Dysoxylum lenticellatum.","Journal of natural products","2011","74","10","2235","2242","10.1021/np2006296","","","0.71073","MoKα","","0.1234","0.0572","","","0.1087","0.1358","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501848","10.389","0.0002","10.4473","0.0002","23.0709","0.0004","90","","90","","90","","2504.05","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Alstoumerine","","","- C22 H26 Cl6 N2 O2 -","- C22 H26 Cl6 N2 O2 -","- C88 H104 Cl24 N8 O8 -","4","1","","Lim, Siew-Huah; Tan, Shin-Jowl; Low, Yun-Yee; Kam, Toh-Seok","Lumutinines A-D, linearly fused macroline-macroline and macroline-sarpagine bisindoles from Alstonia macrophylla.","Journal of natural products","2011","74","12","2556","2562","10.1021/np200730j","","","0.71073","MoKα","","0.0493","0.0397","","","0.0827","0.0867","","","","","","1.024","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501849","15.429","0.002","6.4378","0.0009","16.994","0.003","90","","105.454","0.014","90","","1627","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 N4 -","- C44 H42 N4 -","- C88 H84 N8 -","2","0.5","","Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal","Dinaphthoporphycenes: synthesis and nonlinear optical studies.","Organic letters","2011","13","2","188","191","10.1021/ol102378g","","","0.71073","MoKα","","0.0739","0.0416","","","0.0898","0.0974","","","","","","0.912","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501850","15.338","0.003","13.793","0.002","15.4883","0.0017","90","","90","","90","","3276.7","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H40 N4 Ni -","- C44 H40 N4 Ni -","- C176 H160 N16 Ni4 -","4","0.5","","Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal","Dinaphthoporphycenes: synthesis and nonlinear optical studies.","Organic letters","2011","13","2","188","191","10.1021/ol102378g","","","0.71073","MoKα","","0.0618","0.0377","","","0.1023","0.1105","","","","","","0.786","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501851","24.668","0.002","17.4685","0.0009","25.941","0.002","90","0.002","107.172","0.01","90","0.01","10680","1.4","293","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 N2 O4 -","- C26 H27.5 N2 O4 -","- C416 H440 N32 O64 -","16","2","","Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal","Dinaphthoporphycenes: synthesis and nonlinear optical studies.","Organic letters","2011","13","2","188","191","10.1021/ol102378g","","","0.71073","MoKα","","0.128","0.0712","","","0.1985","0.2237","","","","","","0.92","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501852","8.9091","0.0006","4.86","0.0003","17.9948","0.0012","90","","100.636","0.001","90","","765.76","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C36 H32 N8 O4 -","2","1","","Su, Xin; Aprahamian, Ivan","Switching around two axles: controlling the configuration and conformation of a hydrazone-based switch.","Organic letters","2011","13","1","30","33","10.1021/ol102422h","","x-ray","0.71073","MoKα","","0.044","0.0421","","","0.1165","0.1182","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501853","7.3881","0.0007","10.9108","0.001","15.096","0.0014","101.546","0.001","95.941","0.001","105.033","0.001","1135.82","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 F6 N4 O6 -","- C22 H18 F6 N4 O6 -","- C44 H36 F12 N8 O12 -","2","1","","Su, Xin; Aprahamian, Ivan","Switching around two axles: controlling the configuration and conformation of a hydrazone-based switch.","Organic letters","2011","13","1","30","33","10.1021/ol102422h","","x-ray","0.71073","MoKα","","0.0679","0.0503","","","0.1338","0.1483","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501854","12.632","0.003","9.666","0.002","12.804","0.003","90","","116.024","0.007","90","","1404.9","0.6","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","ABIV-284","","","- C17 H17 N3 -","- C17 H17 N3 -","- C68 H68 N12 -","4","2","","Bigot, Aurélien; Blythe, Judith; Pandya, Chirag; Wagner, Trixie; Loiseleur, Olivier","DAST-mediated cyclization of α,α-disubstituted-α-acylaminoketones: efficient and divergent synthesis of unprecedented heterocycles.","Organic letters","2011","13","2","192","195","10.1021/ol102454e","","","1.54178","CuKα","","0.0261","0.0258","","","0.064","0.0642","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501855","8.782","0.004","19.177","0.008","9.362","0.004","90","","113.9","0.02","90","","1441.5","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","ABIV-293","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Bigot, Aurélien; Blythe, Judith; Pandya, Chirag; Wagner, Trixie; Loiseleur, Olivier","DAST-mediated cyclization of α,α-disubstituted-α-acylaminoketones: efficient and divergent synthesis of unprecedented heterocycles.","Organic letters","2011","13","2","192","195","10.1021/ol102454e","","","1.54178","CuKα","","0.0365","0.0343","","","0.0834","0.0851","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501856","7.1397","0.0001","6.5723","0.0001","21.7434","0.0004","90","","98.501","0.001","90","","1009.08","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Fe O6 S -","- C21 H22 Fe O6 S -","- C42 H44 Fe2 O12 S2 -","2","1","","Paley, Robert S.; Laupheimer, Madeleine C.; Erskine, Nathaniel A. K.; Rablen, Paul R.; Pike, Robert D.; Jones, James S.","Diastereoselective spiroketalization: stereocontrol using an iron(0) tricarbonyl diene complex.","Organic letters","2011","13","1","58","61","10.1021/ol102472g","","","1.54178","CuKα","","0.0288","0.0277","","","0.0657","0.0661","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501857","12.0135","0.0003","12.644","0.0003","13.0635","0.0004","90","","90","","90","","1984.33","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Fe O6 S -","- C20 H20 Fe O6 S -","- C80 H80 Fe4 O24 S4 -","4","1","","Paley, Robert S.; Laupheimer, Madeleine C.; Erskine, Nathaniel A. K.; Rablen, Paul R.; Pike, Robert D.; Jones, James S.","Diastereoselective spiroketalization: stereocontrol using an iron(0) tricarbonyl diene complex.","Organic letters","2011","13","1","58","61","10.1021/ol102472g","","","1.54178","CuKα","","0.0237","0.0232","","","0.0613","0.0615","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501858","6.1275","0.0001","9.7503","0.0001","35.2888","0.0005","90","","90","","90","","2108.33","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Fe O6 S -","- C21 H22 Fe O6 S -","- C84 H88 Fe4 O24 S4 -","4","1","","Paley, Robert S.; Laupheimer, Madeleine C.; Erskine, Nathaniel A. K.; Rablen, Paul R.; Pike, Robert D.; Jones, James S.","Diastereoselective spiroketalization: stereocontrol using an iron(0) tricarbonyl diene complex.","Organic letters","2011","13","1","58","61","10.1021/ol102472g","","","1.54178","CuKα","","0.0307","0.0272","","","0.0656","0.0667","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501859","11.0138","0.0008","11.3199","0.0009","11.6948","0.0009","90","","98.794","0.002","90","","1440.91","0.19","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","1","","Jiao, Yinchun; Cao, Chenzhong; Zhou, Zaichun","Direct synthesis of anti-1,3-diols through nonclassical reaction of aryl Grignard reagents with isopropenyl acetate.","Organic letters","2011","13","2","180","183","10.1021/ol102520y","","","0.71073","MoKα","","0.071","0.0473","","","0.1176","0.1348","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501860","11.751","0.002","7.9495","0.0016","32.608","0.006","90","","108.379","0.007","90","","2890.7","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O2 -","- C17 H20 O2 -","- C136 H160 O16 -","8","2","","Jiao, Yinchun; Cao, Chenzhong; Zhou, Zaichun","Direct synthesis of anti-1,3-diols through nonclassical reaction of aryl Grignard reagents with isopropenyl acetate.","Organic letters","2011","13","2","180","183","10.1021/ol102520y","","","0.71073","MoKα","","0.0764","0.0453","","","0.1154","0.1379","","","","","","1.003","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501861","10.2004","0.0002","10.4858","0.0002","10.936","0.0001","79.725","0.001","79.268","0.001","81.578","0.002","1123.03","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H6 B F15 O -","- C24 H6 B F15 O -","- C48 H12 B2 F30 O2 -","2","1","","Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction.","Organic letters","2011","13","1","62","65","10.1021/ol102544x","","","1.54178","CuKα","","0.04","0.0381","","","0.1059","0.1082","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501862","14.2119","0.0002","16.668","0.0002","18.1682","0.0003","90","","90","","90","","4303.75","0.11","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H6 B F15 O -","- C22 H6 B F15 O -","- C176 H48 B8 F120 O8 -","8","1","","Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction.","Organic letters","2011","13","1","62","65","10.1021/ol102544x","","","0.71073","MoKα","","0.0741","0.0531","","","0.1168","0.1305","","","","","","1.06","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501863","12.6904","0.0003","10.1992","0.0004","18.6406","0.0009","90","","106.434","0.002","90","","2314.12","0.16","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H10 B F15 -","- C24 H10 B F15 -","- C96 H40 B4 F60 -","4","1","","Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction.","Organic letters","2011","13","1","62","65","10.1021/ol102544x","","","1.54178","CuKα","","0.047","0.0426","","","0.1121","0.1163","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501864","11.15","0.007","11.305","0.008","31.2","0.03","90","","90","","90","","3933","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 O2 S -","- C23 H20 O2 S -","- C184 H160 O16 S8 -","8","2","","Antczak, Monika I.; Cai, Feng; Ready, Joseph M.","Asymmetric synthesis of tertiary benzylic alcohols.","Organic letters","2011","13","2","184","187","10.1021/ol102567h","","","0.71069","MoKα","","0.1914","0.0709","","","0.1861","0.2301","","","","","","0.847","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501865","20.063","0.011","10.21","0.006","21.815","0.016","90","","89.42","0.02","90","","4468","5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C51 H44 O5 S2 -","- C51 H44 O5 S2 -","- C204 H176 O20 S8 -","4","1","","Antczak, Monika I.; Cai, Feng; Ready, Joseph M.","Asymmetric synthesis of tertiary benzylic alcohols.","Organic letters","2011","13","2","184","187","10.1021/ol102567h","","","0.71069","MoKα","","0.1183","0.0997","","","0.244","0.1942","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501866","8.351","0.005","10.444","0.005","13.019","0.009","105.335","0.003","97.845","0.005","105.307","0.005","1029.9","1.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H22 O2 S -","- C24 H22 O2 S -","- C48 H44 O4 S2 -","2","2","","Antczak, Monika I.; Cai, Feng; Ready, Joseph M.","Asymmetric synthesis of tertiary benzylic alcohols.","Organic letters","2011","13","2","184","187","10.1021/ol102567h","","","0.71069","MoKα","","0.1102","0.0764","","","0.1767","0.2089","","","","","","0.991","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501867","6.124","0.003","14.952","0.008","12.56","0.009","90","","91.07","0.02","90","","1149.9","1.2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 F6 O2 S -","- C23 H18 F6 O2 S -","- C46 H36 F12 O4 S2 -","2","1","","Antczak, Monika I.; Cai, Feng; Ready, Joseph M.","Asymmetric synthesis of tertiary benzylic alcohols.","Organic letters","2011","13","2","184","187","10.1021/ol102567h","","","0.71069","MoKα","","0.093","0.0756","","","0.2088","0.2274","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501868","6.297","0.0013","19.655","0.004","8.8472","0.0018","90","","91.87","0.03","90","","1094.4","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C48 H54 N2 O10 -","2","1","","Wang, Lin; Xi, Yumeng; Yang, Shouliang; Zhu, Rong; Liang, Yufan; Chen, Jiahua; Yang, Zhen","Asymmetric total synthesis and structural elucidation of NFAT-68.","Organic letters","2011","13","1","74","77","10.1021/ol102574d","","","0.71073","MoKα","","0.2115","0.0592","","","0.0652","0.085","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501869","7.4253","0.0015","6.7697","0.0014","16.333","0.003","90","","102.13","0.03","90","","802.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O7 -","- C16 H17 N O7 -","- C32 H34 N2 O14 -","2","1","","Chen, Yan; Ju, Tong","Enantioselective synthesis of A key A-ring intermediate for the preparation of 1α,25-dihydroxyvitamin D(3).","Organic letters","2011","13","1","86","89","10.1021/ol102586w","","","0.71073","MoKα","","0.0496","0.0371","","","0.0875","0.0955","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501870","5.4202","0.0011","10.233","0.002","18.723","0.004","90","","90","","90","","1038.5","0.4","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 O2 -","- C11 H18 O2 -","- C44 H72 O8 -","4","1","","Chen, Yan; Ju, Tong","Enantioselective synthesis of A key A-ring intermediate for the preparation of 1α,25-dihydroxyvitamin D(3).","Organic letters","2011","13","1","86","89","10.1021/ol102586w","","","0.71073","MoKα","","0.0389","0.0362","","","0.0877","0.0908","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501871","11.193","0.009","10.374","0.008","13.163","0.01","90","","106.797","0.007","90","","1463","2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H47 O6 -","- C28 H47 O6 -","- C56 H94 O12 -","2","1","","Zheng, Jiyue; Xie, Xingang; Zhao, Changgui; He, Yongping; Zheng, Huaiji; Yang, Zhen; She, Xuegong","Total synthesis of (-)-Przewalskin B.","Organic letters","2011","13","2","173","175","10.1021/ol102593r","","","0.71073","MoKα","","0.1091","0.0746","","","0.1964","0.2242","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501872","8.6429","0.0012","27.752","0.004","9.2865","0.0014","90","","107.44","0.004","90","","2125","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Cl N O4 -","- C25 H20 Cl N O4 -","- C100 H80 Cl4 N4 O16 -","4","2","","Zhong, Fangrui; Chen, Guo-Ying; Lu, Yixin","Enantioselective Morita-Baylis-Hillman reaction of isatins with acrylates: facile creation of 3-hydroxy-2-oxindoles.","Organic letters","2011","13","1","82","85","10.1021/ol102597s","","","0.71073","MoKα","","0.071","0.0592","","","0.131","0.1392","","","","","","1.053","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501873","13.2577","0.0007","7.3889","0.0003","15.0467","0.0004","90","","105.525","0.003","90","","1420.19","0.1","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","","Tsui, Gavin Chit; Glenadel, Quentin; Lau, Chan; Lautens, Mark","Rhodium(I)-catalyzed addition of arylboronic acids to (benzyl-/arylsulfonyl)acetonitriles: efficient synthesis of (Z)-β-sulfonylvinylamines and β-keto sulfones.","Organic letters","2011","13","2","208","211","10.1021/ol102598p","","","0.71073","MoKα","","0.11","0.0581","","","0.14","0.1804","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501874","9.6221","0.0003","8.9558","0.0004","21.2803","0.001","90","","100.385","0.003","90","","1803.76","0.13","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O3 S -","- C21 H19 N O3 S -","- C84 H76 N4 O12 S4 -","4","1","","Tsui, Gavin Chit; Glenadel, Quentin; Lau, Chan; Lautens, Mark","Rhodium(I)-catalyzed addition of arylboronic acids to (benzyl-/arylsulfonyl)acetonitriles: efficient synthesis of (Z)-β-sulfonylvinylamines and β-keto sulfones.","Organic letters","2011","13","2","208","211","10.1021/ol102598p","","","0.71073","MoKα","","0.144","0.0629","","","0.1471","0.1909","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501875","15.223","0.0007","9.7311","0.0004","11.8244","0.0011","90","","93.537","0.003","90","","1748.3","0.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Chai, David I.; Hoffmeister, Laura; Lautens, Mark","Synthesis of 2-oxazolones and α-aminoketones via palladium-catalyzed reaction of β,β-dibromoenamides.","Organic letters","2011","13","1","106","109","10.1021/ol102634c","","","0.71073","MoKα","","0.1478","0.0579","","","0.1293","0.172","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501876","7.5957","0.0013","11.494","0.002","21.526","0.004","90","","90","","90","","1879.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N O4 -","- C21 H20 Br N O4 -","- C84 H80 Br4 N4 O16 -","4","1","","Jin, Zhichao; Wang, Xiao; Huang, Huicai; Liang, Xinmiao; Ye, Jinxing","Diastereo- and enantioselective synthesis of oxazine and oxazolidine derivatives with a chiral quaternary carbon center under multifunctional catalysis.","Organic letters","2011","13","4","564","567","10.1021/ol102643a","","","0.71073","MoKα","","0.0879","0.0449","","","0.0897","0.0966","","","","","","0.811","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501877","9.9664","0.0013","7.268","0.001","19.153","0.003","90","","99.713","0.002","90","","1367.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F O3 S -","- C15 H13 F O3 S -","- C60 H52 F4 O12 S4 -","4","1","","Zhang, He; Zhou, Chang-Bing; Chen, Qing-Yun; Xiao, Ji-Chang; Hong, Ran","Monofluorovinyl tosylate: a useful building block for the synthesis of terminal vinyl monofluorides via Suzuki-Miyaura coupling.","Organic letters","2011","13","4","560","563","10.1021/ol102645g","","","0.71073","MoKα","","0.0578","0.043","","","0.1075","0.1118","","","","","","0.944","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501878","9.5322","0.0003","10.3847","0.0003","12.3527","0.0003","84.4292","0.0003","72.2128","0.0003","66.9269","0.0003","1070.83","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N3 O -","- C26 H25 N3 O -","- C52 H50 N6 O2 -","2","1","","Scadeng, Owen; Ferguson, Michael J.; West, F. G.","Intermolecular [3 + 3]-cycloadditions of azides with the Nazarov intermediate.","Organic letters","2011","13","1","114","117","10.1021/ol102651k","","","0.71073","MoKα","","0.0411","0.0386","","","0.1032","0.1054","","","","","","1.072","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501879","16.7182","0.0013","15.0048","0.0012","9.8096","0.0008","90","","102.86","0.0008","90","","2399","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H29 N3 O3 -","- C28 H29 N3 O3 -","- C112 H116 N12 O12 -","4","1","","Scadeng, Owen; Ferguson, Michael J.; West, F. G.","Intermolecular [3 + 3]-cycloadditions of azides with the Nazarov intermediate.","Organic letters","2011","13","1","114","117","10.1021/ol102651k","","","0.71073","MoKα","","0.0291","0.028","","","0.0756","0.0765","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501880","8.3049","0.0004","9.498","0.0004","15.5636","0.0007","99.4404","0.0005","99.1386","0.0005","107.537","0.0005","1126.09","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N O2 -","- C28 H29 N O2 -","- C56 H58 N2 O4 -","2","1","","Scadeng, Owen; Ferguson, Michael J.; West, F. G.","Intermolecular [3 + 3]-cycloadditions of azides with the Nazarov intermediate.","Organic letters","2011","13","1","114","117","10.1021/ol102651k","","","0.71073","MoKα","","0.0501","0.04","","","0.1013","0.1084","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501881","18.5834","0.0007","25.3538","0.0009","32.657","0.0012","90","","90","","90","","15386.7","1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H27 N3 O3 -","- C31 H27 N3 O3 -","- C744 H648 N72 O72 -","24","3","","Dial, Brent E.; Rasberry, Roger D.; Bullock, Brooke N.; Smith, Mark D.; Pellechia, Perry J.; Profeta, Jr, Salvatore; Shimizu, Ken D.","Guest-accelerated molecular rotor.","Organic letters","2011","13","2","244","247","10.1021/ol102659n","","","0.71073","MoKα","","0.06","0.0365","","","0.073","0.0804","","","","","","0.946","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501882","15.1705","0.0012","20.6845","0.0016","17.4086","0.0013","90","","110.54","0.002","90","","5115.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N3 O3 -","- C31 H27 N3 O3 -","- C248 H216 N24 O24 -","8","2","","Dial, Brent E.; Rasberry, Roger D.; Bullock, Brooke N.; Smith, Mark D.; Pellechia, Perry J.; Profeta, Jr, Salvatore; Shimizu, Ken D.","Guest-accelerated molecular rotor.","Organic letters","2011","13","2","244","247","10.1021/ol102659n","","","0.71073","MoKα","","0.1279","0.0823","","","0.1989","0.2227","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501883","11.2541","0.0015","9.5009","0.0013","8.4762","0.0011","90","","103.936","0.003","90","","879.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 F2 -","- C26 H16 F2 -","- C52 H32 F4 -","2","0.5","","Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; Muldoon, Jimmy; McGlinchey, Michael J.","Restricted rotation in 9-phenyl-anthracenes: a prediction fulfilled.","Organic letters","2011","13","2","256","259","10.1021/ol102665y","","","0.71073","MoKα","","0.0437","0.0391","","","0.0992","0.1018","","","","","","1.091","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501884","11.4349","0.0001","12.9659","0.0002","16.4853","0.0003","74.056","0.002","86.58","0.001","85.989","0.001","2342.31","0.06","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C66.86 H47.72 -","- C66.858 H47.716 -","- C133.716 H95.432 -","2","1","","Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; Muldoon, Jimmy; McGlinchey, Michael J.","Restricted rotation in 9-phenyl-anthracenes: a prediction fulfilled.","Organic letters","2011","13","2","256","259","10.1021/ol102665y","","","1.54184","CuKα","","0.0523","0.0488","","","0.1434","0.1464","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501885","11.5233","0.0005","12.968","0.0005","13.3977","0.0005","101.394","0.002","94.514","0.002","99.229","0.002","1924.56","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H37 N5 Ni O2 -","- C51 H37 N5 Ni O2 -","- C102 H74 N10 Ni2 O4 -","2","1","","Carvalho, Carla M. B.; Neves, Maria G. P. M. S.; Tomé, Augusto C; Paz, Filipe A Almeida; Silva, Artur M. S.; Cavaleiro, José A S","1,3-Dioxopyrrolo[3,4-b]porphyrins: synthesis and chemistry.","Organic letters","2011","13","1","130","133","10.1021/ol102691s","","","0.71073","MoKα","","0.0659","0.0413","","","0.1086","0.1208","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501886","8.108","0.0001","11.4326","0.0002","14.8333","0.0003","101.495","0.001","92.42","0.001","94.486","0.001","1340.92","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 N4 O5 S2 -","- C29 H22 N4 O5 S2 -","- C58 H44 N8 O10 S4 -","2","1","","Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter","Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures.","Organic letters","2011","13","1","126","129","10.1021/ol1026969","","","1.54178","CuKα","","0.0356","0.033","","","0.082","0.0845","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501887","11.2893","0.001","11.9604","0.0017","12.11","0.0012","84.75","0.008","84.635","0.006","76.004","0.008","1575.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H24 N4 O5 -","- C38 H24 N4 O5 -","- C76 H48 N8 O10 -","2","1","","Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter","Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures.","Organic letters","2011","13","1","126","129","10.1021/ol1026969","","","1.54178","CuKα","","0.1007","0.0842","","","0.1718","0.1784","","","","","","1.135","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501888","23.242","0.002","7.8358","0.0007","30.029","0.003","90","","92.897","0.003","90","","5461.9","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 N8 O10 S4 -","- C58 H44 N8 O10 S4 -","- C232 H176 N32 O40 S16 -","4","0.5","","Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter","Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures.","Organic letters","2011","13","1","126","129","10.1021/ol1026969","","","1.54178","CuKα","","0.0998","0.0674","","","0.1592","0.1712","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501889","15.0733","0.0013","19.7051","0.0016","14.1933","0.0011","90","","104.311","0.003","90","","4084.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H32 N6 O7 S -","- C49 H32 N6 O7 S -","- C196 H128 N24 O28 S4 -","4","1","","Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter","Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures.","Organic letters","2011","13","1","126","129","10.1021/ol1026969","","","1.54178","CuKα","","0.1195","0.0753","","","0.1696","0.1875","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501890","11.864","0.004","8.768","0.003","18.696","0.006","90","","96.548","0.005","90","","1932.1","1.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N4 O5 -","- C21 H20 N4 O5 -","- C84 H80 N16 O20 -","4","1","","Yao, Zhong-Ke; Li, Jianjun; Yu, Zhi-Xiang","Rh-catalyzed [7 + 1] cycloaddition of buta-1,3-dienylcyclopropanes and CO for the synthesis of cyclooctadienones.","Organic letters","2011","13","1","134","137","10.1021/ol102700m","","","0.71073","MoKα","","0.0664","0.0609","","","0.1297","0.1329","","","","","","1.187","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501891","14.854","0.005","10.059","0.003","22.557","0.007","90","","110.26","0.005","90","","3161.9","1.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 N4 O6 -","- C35 H36 N4 O6 -","- C140 H144 N16 O24 -","4","1","","Yao, Zhong-Ke; Li, Jianjun; Yu, Zhi-Xiang","Rh-catalyzed [7 + 1] cycloaddition of buta-1,3-dienylcyclopropanes and CO for the synthesis of cyclooctadienones.","Organic letters","2011","13","1","134","137","10.1021/ol102700m","","","0.71073","MoKα","","0.1032","0.0986","","","0.1671","0.169","","","","","","1.366","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501892","10.2168","0.0005","15.2722","0.0007","16.1196","0.0007","90","","100.054","0.0006","90","","2476.6","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 N2 O3 S Si -","- C25 H36 N2 O3 S Si -","- C100 H144 N8 O12 S4 Si4 -","4","1","","Martin, Connor L.; Nakamura, Seiichi; Otte, Ralf; Overman, Larry E.","Total synthesis of (+)-condylocarpine, (+)-isocondylocarpine, and (+)-tubotaiwine.","Organic letters","2011","13","1","138","141","10.1021/ol102709s","","","0.71073","MoKα","","0.0414","0.0349","","","0.0903","0.0951","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501893","8.3797","0.0004","14.5146","0.0007","12.1909","0.0006","90","","102.819","0.0005","90","","1445.8","0.12","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","Martin, Connor L.; Nakamura, Seiichi; Otte, Ralf; Overman, Larry E.","Total synthesis of (+)-condylocarpine, (+)-isocondylocarpine, and (+)-tubotaiwine.","Organic letters","2011","13","1","138","141","10.1021/ol102709s","","","0.71073","MoKα","","0.0437","0.0408","","","0.109","0.1121","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501894","8.007","0.0002","15.022","0.0006","17.487","0.0007","90","","90","","90","","2103.36","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 N2 O3 S -","- C25 H20 N2 O3 S -","- C100 H80 N8 O12 S4 -","4","1","","Barroso, Santiago; Blay, Gonzalo; Muñoz, M Carmen; Pedro, José R","Highly enantioselective nitrone cycloadditions with 2-alkenoyl pyridine N-oxides catalyzed by Cu(II)-BOX complexes.","Organic letters","2011","13","3","402","405","10.1021/ol102716e","","","0.71073","MoKα","","0.0722","0.05","","","0.1409","0.1678","","","","","","0.973","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501895","14.697","0.0014","14.329","0.0013","14.303","0.0013","90","","104.267","0.004","90","","2919.2","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 Cl O5 -","- C31 H35 Cl O5 -","- C124 H140 Cl4 O20 -","4","1","","Zhou, Rong; Wang, Jianfang; Song, Haibin; He, Zhengjie","Phosphine-catalyzed cascade [3 + 2] cyclization-allylic alkylation, [2 + 2 + 1] annulation, and [3 + 2] cyclization reactions between allylic carbonates and enones.","Organic letters","2011","13","4","580","583","10.1021/ol102738b","","","0.71075","MoKα","","0.0785","0.0554","","","0.1124","0.1218","","","","","","1.109","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501896","11.6425","0.0019","22.489","0.004","11.6436","0.0018","90","","93.811","0.004","90","","3041.9","0.9","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N2 O8 -","- C36 H30 N2 O8 -","- C144 H120 N8 O32 -","4","1","","Zhou, Rong; Wang, Jianfang; Song, Haibin; He, Zhengjie","Phosphine-catalyzed cascade [3 + 2] cyclization-allylic alkylation, [2 + 2 + 1] annulation, and [3 + 2] cyclization reactions between allylic carbonates and enones.","Organic letters","2011","13","4","580","583","10.1021/ol102738b","","","0.71073","MoKα","","0.0441","0.0381","","","0.0932","0.0975","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501897","16.398","0.003","7.6279","0.0014","13.045","0.002","90","","99.836","0.004","90","","1607.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cl N2 O -","- C18 H19 Cl N2 O -","- C72 H76 Cl4 N8 O4 -","4","1","","Lefranc, Julien; Tetlow, Daniel J.; Donnard, Morgan; Minassi, Alberto; Gálvez, Erik; Clayden, Jonathan","Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines).","Organic letters","2011","13","2","296","299","10.1021/ol1027442","","","0.71073","MoKα","","0.1268","0.0581","","","0.0917","0.1377","","","","","","0.859","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501898","7.9594","0.0008","11.7961","0.0011","17.4102","0.0016","90","","98.137","0.002","90","","1618.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cl N2 O -","- C18 H19 Cl N2 O -","- C72 H76 Cl4 N8 O4 -","4","1","","Lefranc, Julien; Tetlow, Daniel J.; Donnard, Morgan; Minassi, Alberto; Gálvez, Erik; Clayden, Jonathan","Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines).","Organic letters","2011","13","2","296","299","10.1021/ol1027442","","","0.71073","MoKα","","0.0649","0.0398","","","0.0721","0.0775","","","","","","0.889","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501899","9.0491","0.0018","18.07","0.004","9.4597","0.0019","90","","94.301","0.004","90","","1542.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F N2 O -","- C18 H19 F N2 O -","- C72 H76 F4 N8 O4 -","4","1","","Lefranc, Julien; Tetlow, Daniel J.; Donnard, Morgan; Minassi, Alberto; Gálvez, Erik; Clayden, Jonathan","Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines).","Organic letters","2011","13","2","296","299","10.1021/ol1027442","","","0.71073","MoKα","","0.0799","0.0508","","","0.1045","0.1142","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501900","14.655","0.008","11.644","0.005","14.194","0.006","90","","115.844","0.015","90","","2179.9","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Cl N2 O2 -","- C25 H25 Cl N2 O2 -","- C100 H100 Cl4 N8 O8 -","4","1","","Lefranc, Julien; Tetlow, Daniel J.; Donnard, Morgan; Minassi, Alberto; Gálvez, Erik; Clayden, Jonathan","Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines).","Organic letters","2011","13","2","296","299","10.1021/ol1027442","","","0.71073","MoKα","","0.0845","0.0582","","","0.1389","0.1479","","","","","","1.072","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501901","23.245","0.005","11.539","0.003","12.288","0.002","90","","90","","90","","3295.9","1.2","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C42 H42 B N -","- C42 H42 B N -","- C168 H168 B4 N4 -","4","1","","Hudson, Zachary M.; Liu, Xiang-Yang; Wang, Suning","Switchable Three-State Fluorescence of a Nonconjugated Donor–Acceptor Triarylborane","Organic Letters","2011","13","2","300","303","10.1021/ol102749y","","","0.71073","MoKα","","0.263","0.0588","","","0.0858","0.1224","","","","","","0.703","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501902","4.9317","0.0001","8.7095","0.0002","16.1625","0.0004","74.714","0.001","85.557","0.001","77.087","0.001","652.6","0.03","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","5,5'-Dioctyl-[3,3']bi[thieno[3,4-c]pyrrolyl]-4,6,4',6'-tetraone","","- C28 H36 N2 O4 S2 -","- C28 H36 N2 O4 S2 -","- C28 H36 N2 O4 S2 -","1","0.5","","Berrouard, Philippe; Grenier, François; Pouliot, Jean-Rémi; Gagnon, Eric; Tessier, Christian; Leclerc, Mario","Synthesis and characterization of 5-octylthieno[3,4-c]pyrrole-4,6-dione derivatives as new monomers for conjugated copolymers.","Organic letters","2011","13","1","38","41","10.1021/ol1027514","","","1.54178","CuKα","","0.0319","0.0316","","","0.0865","0.0868","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501903","6.9848","0.0008","17.225","0.0019","17.991","0.002","71.97","0.001","84.512","0.001","78.304","0.001","2014.3","0.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H37 Br2 Cl3 N4 O4 S3 -","- C35 H37 Br2 Cl3 N4 O4 S3 -","- C70 H74 Br4 Cl6 N8 O8 S6 -","2","1","","Berrouard, Philippe; Grenier, François; Pouliot, Jean-Rémi; Gagnon, Eric; Tessier, Christian; Leclerc, Mario","Synthesis and characterization of 5-octylthieno[3,4-c]pyrrole-4,6-dione derivatives as new monomers for conjugated copolymers.","Organic letters","2011","13","1","38","41","10.1021/ol1027514","","","0.71073","MoKα","","0.0771","0.0481","","","0.109","0.119","","","","","","1.279","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501904","10.3366","0.0001","10.93","0.0001","23.5701","0.0003","90","","90","","90","","2662.93","0.05","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O10 -","- C28 H38 O10 -","- C112 H152 O40 -","4","1","","Lin, Yu-Chi; Lo, I-Wen; Chen, Shun-Ying; Lin, Pi-Han; Chien, Ching-Te; Chang, Sui-yuan; Shen, Ya-Ching","Schinarisanlactone A, a new bisnortriterpenoid from Schisandra arisanensis.","Organic letters","2011","13","3","446","449","10.1021/ol102772j","","","1.54178","CuKα","","0.0591","0.0523","","","0.1432","0.1484","","","","","","1.131","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501905","9.146","0.004","10.974","0.004","24.749","0.01","90","","90.258","0.006","90","","2484","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N3 O6 S -","- C26 H25 N3 O6 S -","- C104 H100 N12 O24 S4 -","4","1","","Chen, Zhiyuan; Zheng, Danqing; Wu, Jie","A facile route to polysubstituted indoles via three-component reaction of 2-ethynylaniline, sulfonyl azide, and nitroolefin.","Organic letters","2011","13","5","848","851","10.1021/ol102775s","","","0.71073","MoKα","","0.0851","0.0598","","","0.1745","0.1866","","","","","","1.082","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501906","6.6653","0.0001","8.3058","0.0002","31.2578","0.0006","90","","92.539","0.001","90","","1728.75","0.06","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Clavier, Hervé; Le Jeune, Karel; de Riggi, Innocenzo; Tenaglia, Alphonse; Buono, Gérard","Highly selective cobalt-mediated [6 + 2] cycloaddition of cycloheptatriene and allenes.","Organic letters","2011","13","2","308","311","10.1021/ol102783x","","x-ray","0.71073","MoKα","","0.1198","0.0667","","","0.2233","0.2767","","","","","","1.111","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501907","6.0676","0.0002","10.7264","0.0004","7.8745","0.0003","90","","104.958","0.002","90","","495.13","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H18 Cl N -","- C9 H18 Cl N -","- C18 H36 Cl2 N2 -","2","1","","Faraldos, Juan A.; Kariuki, Benson M.; Coates, Robert M.","2-azapinanes: aza analogues of the enantiomeric pinyl carbocation intermediates in pinene biosynthesis.","Organic letters","2011","13","5","836","839","10.1021/ol1027893","","","0.71073","MoKα","","0.0458","0.0387","","","0.0791","0.0836","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501908","9.74","0.002","10.58","0.002","13.367","0.003","87.975","0.008","87.647","0.008","88.54","0.008","1375","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","E-47209-EXP035","","","- C15 H7 Br Cl F3 N2 -","- C15 H7 Br Cl F3 N2 -","- C60 H28 Br4 Cl4 F12 N8 -","4","2","","Martin, Laetitia J.; Marzinzik, Andreas L.; Ley, Steven V.; Baxendale, Ian R.","Safe and reliable synthesis of diazoketones and quinoxalines in a continuous flow reactor.","Organic letters","2011","13","2","320","323","10.1021/ol1027927","","","1.54178","CuKα","","0.0453","0.0389","","","0.118","0.1531","","","","","","1.115","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501909","11.083","0.001","12.964","0.001","14.977","0.001","90","","90","","90","","2151.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C112 H96 O8 -","4","1","","Wen, Bo; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of 1,4-naphthoquinone methides via acid-catalyzed cascade cyclizations of benzannulated enediynyl alcohols.","Organic letters","2011","13","1","168","171","10.1021/ol102793a","","","0.71073","MoKα","","0.0512","0.0429","","","0.1104","0.1177","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501910","6.1374","0.0004","11.8458","0.0007","30.2363","0.0018","90","","90","","90","","2198.3","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 O2 -","- C29 H26 O2 -","- C116 H104 O8 -","4","1","","Wen, Bo; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of 1,4-naphthoquinone methides via acid-catalyzed cascade cyclizations of benzannulated enediynyl alcohols.","Organic letters","2011","13","1","168","171","10.1021/ol102793a","","","0.71073","MoKα","","0.047","0.0421","","","0.1089","0.1136","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501911","17.639","0.003","13.026","0.002","12.1899","0.0018","90","","122.269","0.009","90","","2368.2","0.7","294","2","294","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H26 N4 O5 -","- C23 H26 N4 O5 -","- C92 H104 N16 O20 -","4","1","","Yang, Zhigang; Wang, Zhen; Bai, Sha; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Asymmetric α-amination of 4-substituted pyrazolones catalyzed by a chiral Gd(OTf)3/N,N'-dioxide complex: highly enantioselective synthesis of 4-amino-5-pyrazolone derivatives.","Organic letters","2011","13","4","596","599","10.1021/ol102804p","","","1.54186","CuKα","","0.0697","0.0591","","","0.1262","0.1316","","","","","","1.166","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501912","8.1646","0.0003","5.2885","0.0002","16.1885","0.0006","90","","99.21","0.001","90","","689.98","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H13 Cl O2 -","- C17 H13 Cl O2 -","- C34 H26 Cl2 O4 -","2","1","","Li, Qiankun; Jiang, Xinpeng; Fu, Chunling; Ma, Shengming","One-Pot Construction of Aza- or Oxa-Bridged Benzocycloheptanes from Readily Available 2,3-Allenyl Malonates or 2,3-Allenols and o-Iodobenzaldehyde or Imine","Organic Letters","2011","13","3","466","469","10.1021/ol102811x","","","0.71073","MoKα","","0.0239","0.0234","","","0.0632","0.0637","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501913","10.2477","0.0005","10.6579","0.0005","11.7877","0.0006","97.636","0.001","99.784","0.001","117.355","0.001","1093.62","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O6 S -","- C23 H23 N O6 S -","- C46 H46 N2 O12 S2 -","2","1","","Li, Qiankun; Jiang, Xinpeng; Fu, Chunling; Ma, Shengming","One-Pot Construction of Aza- or Oxa-Bridged Benzocycloheptanes from Readily Available 2,3-Allenyl Malonates or 2,3-Allenols and o-Iodobenzaldehyde or Imine","Organic Letters","2011","13","3","466","469","10.1021/ol102811x","","","0.71073","MoKα","","0.0593","0.0578","","","0.1489","0.1517","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501914","10.6114","0.0006","10.5287","0.0006","46.396","0.003","90","","98.255","0.002","90","","5129.9","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C272 H224 O32 -","16","4","","Li, Qiankun; Jiang, Xinpeng; Fu, Chunling; Ma, Shengming","One-Pot Construction of Aza- or Oxa-Bridged Benzocycloheptanes from Readily Available 2,3-Allenyl Malonates or 2,3-Allenols and o-Iodobenzaldehyde or Imine","Organic Letters","2011","13","3","466","469","10.1021/ol102811x","","","0.71073","MoKα","","0.1132","0.0496","","","0.0934","0.1131","","","","","","0.999","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501915","17.827","0.004","11.746","0.002","11.045","0.002","90","","90","","90","","2312.8","0.8","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C32 H23 N -","- C32 H23 N -","- C128 H92 N4 -","4","1","","Cao, Jian; Yang, Xiongfa; Hua, Xilin; Deng, Yuan; Lai, Guoqiao","Synthesis of 2-azaanthracenes via a sequential Sonogashira coupling/alkynyl imine-allenyl imine isomerization/aza-Diels-Alder/elimination-aromatization reaction.","Organic letters","2011","13","3","478","481","10.1021/ol1028207","","","0.71073","MoKα","","0.0508","0.0383","","","0.1008","0.117","","","","","","1.095","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501916","11.0997","0.0007","8.6383","0.0007","13.8782","0.0007","90","","91.386","0.004","90","","1330.29","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","D'Souza, Asha M; Spiccia, Nadia; Basutto, Jose; Jokisz, Pawel; Wong, Leon S.-M.; Meyer, Adam G.; Holmes, Andrew B.; White, Jonathan M.; Ryan, John H.","1,3-Dipolar cycloaddition-decarboxylation reactions of an azomethine ylide with isatoic anhydrides: formation of novel benzodiazepinones.","Organic letters","2011","13","3","486","489","10.1021/ol102824k","","","1.5418","CuKα","","0.0762","0.0499","","","0.1229","0.14","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501917","7.7205","0.0015","14.032","0.003","9.5919","0.0019","90","","104.39","0.03","90","","1006.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C48 H46 N2 O8 -","2","1","","Cao, Weidi; Liu, Xiaohua; Wang, Wentao; Lin, Lili; Feng, Xiaoming","Highly enantioselective synthesis of tetrahydroquinolines via cobalt(II)-catalyzed tandem 1,5-hydride transfer/cyclization.","Organic letters","2011","13","4","600","603","10.1021/ol1028282","","","1.54178","CuKα","","0.0501","0.0428","","","0.1003","0.1063","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501918","12.7494","0.0007","16.1119","0.0008","21.2918","0.0011","90","","101.332","0.0018","90","","4288.4","0.4","296","","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 N4 O4 -","- C44 H60 N4 O4 -","- C176 H240 N16 O16 -","4","1","","Tsue, Hirohito; Ono, Kohei; Tokita, Satoshi; Ishibashi, Koichi; Matsui, Kazuhiro; Takahashi, Hiroki; Miyata, Kazuyuki; Takahashi, Daisuke; Tamura, Rui","Spontaneous and selective CO2 sorption under ambient conditions in seemingly nonporous molecular crystal of azacalix[5]arene pentamethyl ether.","Organic letters","2011","13","3","490","493","10.1021/ol102829h","","","0.71075","MoKα","","0.1252","0.0631","","","0.1563","0.2083","","","","","","1.085","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501919","17.115","","13.105","","26.8951","","90","","109.374","","90","","5690.76","","298","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H75 N5 O5 -","- C55 H75 N5 O5 -","- C220 H300 N20 O20 -","4","1","","Tsue, Hirohito; Ono, Kohei; Tokita, Satoshi; Ishibashi, Koichi; Matsui, Kazuhiro; Takahashi, Hiroki; Miyata, Kazuyuki; Takahashi, Daisuke; Tamura, Rui","Spontaneous and selective CO2 sorption under ambient conditions in seemingly nonporous molecular crystal of azacalix[5]arene pentamethyl ether.","Organic letters","2011","13","3","490","493","10.1021/ol102829h","","","1.0024","","","","","","","","","","","","","","","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501920","8.208","0.0003","14.4061","0.0005","10.6072","0.0004","90","","109.691","0.001","90","","1180.91","0.07","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 Br N2 O6 -","- C26 H25 Br N2 O6 -","- C52 H50 Br2 N4 O12 -","2","1","","Lee, Jihoon; Panek, James S.","Total synthesis of (+)-isatisine A.","Organic letters","2011","13","3","502","505","10.1021/ol102848w","","","1.54178","CuKα","","0.025","0.0249","","","0.0763","0.0766","","","","","","0.769","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501921","10.3024","0.0005","16.7569","0.0006","13.4574","0.0006","90","","94.5651","0.0012","90","","2315.87","0.17","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 Cl Cu N3 -","- C23 H29 Cl Cu N3 -","- C92 H116 Cl4 Cu4 N12 -","4","1","","Nakamura, Tatsuhito; Terashima, Takahiro; Ogata, Kenichi; Fukuzawa, Shin-ichi","Copper(I) 1,2,3-triazol-5-ylidene complexes as efficient catalysts for click reactions of azides with alkynes.","Organic letters","2011","13","4","620","623","10.1021/ol102858u","","","0.71075","MoKα","","","0.0655","","","","0.2407","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501922","9.2851","0.0009","18.4728","0.0017","16.5041","0.0019","90","","113.808","0.008","90","","2589.9","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F -","- C18 H13 F -","- C144 H104 F8 -","8","2","","Yao, Bangben; Li, Yong; Liang, Zunjun; Zhang, Yuhong","Ni-catalyzed intramolecular cycloaddition of methylenecyclopropanes to alkynes.","Organic letters","2011","13","4","640","643","10.1021/ol1028628","","","0.71073","MoKα","","0.1283","0.0388","","","0.0389","0.0419","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501923","14.2979","0.0002","14.5398","0.0002","15.7308","0.0003","71.49","0.001","87.882","0.001","65.423","0.001","2802.94","0.08","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C128 H112 Na2 O16 P2 Si4 -","- C128 H112 Na2 O16 P2 Si4 -","- C128 H112 Na2 O16 P2 Si4 -","1","1","","Hennecke, Ulrich; Müller, Christian H; Fröhlich, Roland","Enantioselective haloetherification by asymmetric opening of meso-halonium ions.","Organic letters","2011","13","5","860","863","10.1021/ol1028805","","","0.71073","MoKα","","0.085","0.0721","","","0.1633","0.1767","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501924","6.764","0.003","4.4614","0.0019","29.113","0.012","90","","90.547","0.005","90","","878.5","0.7","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(4-Hydoxy-2-methylphenacyl)-2-oxoethyl Formate","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Šebej, Peter; Lim, Bum Hee; Park, Bong Ser; Givens, Richard S.; Klán, Petr","The power of solvent in altering the course of photorearrangements.","Organic letters","2011","13","4","644","647","10.1021/ol102887f","","","0.71073","MoKα","","0.0976","0.0881","","","0.2214","0.2318","","","","","","1.087","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501925","9.3644","0.0001","11.7016","0.0002","9.7246","0.0001","90","","99.3685","0.0007","90","","1051.39","0.02","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","1","","Michaelides, Iacovos N.; Darses, Benjamin; Dixon, Darren J.","Acid-catalyzed synthesis of bicyclo[3.n.1]alkenediones.","Organic letters","2011","13","4","664","667","10.1021/ol102909t","","","0.71073","MoKα","","0.0543","0.0416","","0.0972","0.0927","0.0972","","","","","","0.9434","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501926","28.7109","0.001","6.0157","0.0002","20.2899","0.0009","90","","120.169","0.004","90","","3029.7","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 I2 O -","- C16 H12 I2 O -","- C128 H96 I16 O8 -","8","1","","Zhu, Hai-Tao; Ji, Ke-Gong; Yang, Fang; Wang, Li-Jing; Zhao, Shu-Chun; Ali, Shaukat; Liu, Xue-Yuan; Liang, Yong-Min","Electrophilic carbocyclization of aryl propargylic alcohols: a facile synthesis of diiodinated carbocycles and heterocycles.","Organic letters","2011","13","4","684","687","10.1021/ol1029194","","","0.71073","MoKα","","0.0462","0.0304","","","0.0624","0.0684","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501927","11.4787","0.0009","9.9688","0.0008","24.0837","0.0018","90","","90.213","0.001","90","","2755.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 N O8 -","- C33 H25 N O8 -","- C132 H100 N4 O32 -","4","1","","Zhao, Wanxiang; Zhang, Junliang","Rhodium-catalyzed tandem heterocyclization and carbonylative [(3+2)+1] cyclization of diyne-enones.","Organic letters","2011","13","4","688","691","10.1021/ol102920f","","","0.71073","MoKα","","0.067","0.0414","","","0.1009","0.1172","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501928","9.6288","0.0004","10.5846","0.0004","11.482","0.0004","75.515","0.001","80.586","0.001","83.926","0.001","1115.17","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 O7 -","- C27 H22 O7 -","- C54 H44 O14 -","2","1","","Zhao, Wanxiang; Zhang, Junliang","Rhodium-catalyzed tandem heterocyclization and carbonylative [(3+2)+1] cyclization of diyne-enones.","Organic letters","2011","13","4","688","691","10.1021/ol102920f","","","0.71073","MoKα","","0.0484","0.0401","","","0.1053","0.1146","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501929","15.7461","0.0003","15.7461","0.0003","11.9364","0.0002","90","","90","","120","","2563.01","0.08","193","2","193","2","","","","","","","","4","P 31","P 31","144","","(R)-5,5'-Bis(diphenylphosphinoyl)-1,3,6,8,1',3',6',8'-octahydro- [4,4']bi[2,7-dioxaasindacenyl]","","- C44 H36 O6 P2 -","- C44 H36 O6 P2 -","- C132 H108 O18 P6 -","3","1","","Mori, Fumiya; Fukawa, Naohiro; Noguchi, Keiichi; Tanaka, Ken","Asymmetric synthesis of axially chiral biaryl diphosphine ligands by rhodium-catalyzed enantioselective intramolecular double [2 + 2 + 2] cycloaddition.","Organic letters","2011","13","3","362","365","10.1021/ol102927y","","","1.54187","CuKα","","0.0312","0.0306","","","0.0821","0.0826","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501930","8.98499","0.00016","16.8485","0.0003","23.4132","0.0004","90","","90","","90","","3544.37","0.11","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-5,5'-Bis(diphenylphosphanyl)-1,3,6,8,1',3',6',8'-octahydro- [4,4']bi[2,7-dioxaasindacenyl]","","- C44 H36 O4 P2 -","- C44 H36 O4 P2 -","- C176 H144 O16 P8 -","4","1","","Mori, Fumiya; Fukawa, Naohiro; Noguchi, Keiichi; Tanaka, Ken","Asymmetric synthesis of axially chiral biaryl diphosphine ligands by rhodium-catalyzed enantioselective intramolecular double [2 + 2 + 2] cycloaddition.","Organic letters","2011","13","3","362","365","10.1021/ol102927y","","","1.54187","CuKα","","0.0322","0.0319","","","0.0822","0.0826","","","","","","1.081","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501931","5.6626","0.0002","9.637","0.0003","18.9453","0.0007","90","","94.067","0.002","90","","1031.25","0.06","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl N2 O2 -","- C11 H9 Cl N2 O2 -","- C44 H36 Cl4 N8 O8 -","4","1","","Zhou, Quan; Snider, Barry B.","Synthesis of phantasmidine.","Organic letters","2011","13","3","526","529","10.1021/ol102929m","","","0.71073","MoKα","","0.0317","0.0306","","0.0817","0.0774","0.0817","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501932","7.6713","0.0004","10.9248","0.0004","11.8599","0.0005","90","","99.368","0.003","90","","980.69","0.08","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C48 H44 N4 O8 -","2","1","","Xiao, Jian; Lu, Yun-Peng; Liu, Yan-Ling; Wong, Poh-Shen; Loh, Teck-Peng","A new class of structurally rigid tricyclic chiral secondary amine organocatalyst: highly enantioselective organocatalytic Michael addition of aldehydes to vinyl sulfones.","Organic letters","2011","13","5","876","879","10.1021/ol102933q","","","0.71073","MoKα","","0.0542","0.0455","","","0.1083","0.1206","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501933","8.3787","0.0017","10.986","0.002","20.823","0.004","90","","94.556","0.007","90","","1910.7","0.6","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 O5 S2 -","- C19 H24 O5 S2 -","- C76 H96 O20 S8 -","4","2","","Xiao, Jian; Lu, Yun-Peng; Liu, Yan-Ling; Wong, Poh-Shen; Loh, Teck-Peng","A new class of structurally rigid tricyclic chiral secondary amine organocatalyst: highly enantioselective organocatalytic Michael addition of aldehydes to vinyl sulfones.","Organic letters","2011","13","5","876","879","10.1021/ol102933q","","","0.71073","MoKα","","0.2896","0.0905","","","0.1734","0.2884","","","","","","0.916","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501934","8.036","0.003","12.408","0.004","12.444","0.004","90","","99.191","0.005","90","","1224.9","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 -","- C17 H12 N2 -","- C68 H48 N8 -","4","1","","Li, Shaoyu; Wu, Jie","Synthesis of H-pyrazolo[5,1-a]isoquinolines via copper(II)-catalyzed oxidation of an aliphatic C-H bond of tertiary amine in air.","Organic letters","2011","13","4","712","715","10.1021/ol102939r","","","0.71073","MoKα","","0.0563","0.0426","","","0.1147","0.1234","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501935","7.659","0.003","14.452","0.005","26.66","0.009","90","","90","","90","","2950.9","1.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl N2 -","- C19 H15 Cl N2 -","- C152 H120 Cl8 N16 -","8","2","","Li, Shaoyu; Wu, Jie","Synthesis of H-pyrazolo[5,1-a]isoquinolines via copper(II)-catalyzed oxidation of an aliphatic C-H bond of tertiary amine in air.","Organic letters","2011","13","4","712","715","10.1021/ol102939r","","","0.71073","MoKα","","0.0765","0.0598","","","0.117","0.1253","","","","","","0.993","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501936","8.2302","0.0003","8.2837","0.0003","13.1837","0.0004","79.9846","0.0004","82.2194","0.0004","77.7988","0.0004","860.57","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C42 H52 O8 -","2","1","","Stewart, Craig; McDonald, Robert; West, F. G.","Expedient route to the tigliane-daphnane skeleton via oxonium ylide [1,2]-shift.","Organic letters","2011","13","4","720","723","10.1021/ol102953s","","","0.71073","MoKα","","0.0447","0.0418","","","0.1105","0.1138","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501937","12.2754","0.0013","17.8152","0.0018","9.485","0.001","90","","100.204","0.0012","90","","2041.5","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O6 -","- C24 H28 O6 -","- C96 H112 O24 -","4","1","","Stewart, Craig; McDonald, Robert; West, F. G.","Expedient route to the tigliane-daphnane skeleton via oxonium ylide [1,2]-shift.","Organic letters","2011","13","4","720","723","10.1021/ol102953s","","","0.71073","MoKα","","0.0693","0.0485","","","0.1146","0.1291","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501938","12.6475","0.0005","11.3248","0.0004","14.4129","0.0005","90","","90","","90","","2064.37","0.13","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H28 O6 -","- C24 H28 O6 -","- C96 H112 O24 -","4","1","","Stewart, Craig; McDonald, Robert; West, F. G.","Expedient route to the tigliane-daphnane skeleton via oxonium ylide [1,2]-shift.","Organic letters","2011","13","4","720","723","10.1021/ol102953s","","","0.71073","MoKα","","0.0359","0.0353","","","0.0994","0.1002","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501939","6.2","0.003","11.695","0.006","15.337","0.007","90","","91.527","0.007","90","","1111.7","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Chen, Zhi-Hua; Tu, Yong-Qiang; Zhang, Shu-Yu; Zhang, Fu-Min","Development of the intramolecular Prins cyclization/Schmidt reaction for the construction of the azaspiro[4,4]nonane: application to the formal synthesis of (±)-stemonamine.","Organic letters","2011","13","4","724","727","10.1021/ol102955e","","","0.71073","MoKα","","0.2436","0.1223","","","0.2702","0.3353","","","","","","1.091","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501940","10.7883","0.0005","11.9051","0.0007","12.1487","0.0006","105.439","0.003","94.654","0.003","109.697","0.003","1390.7","0.13","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 Cl2 O8 -","- C28 H32 Cl2 O8 -","- C56 H64 Cl4 O16 -","2","1","","Hackeloer, Kristina; Schnakenburg, Gregor; Waldvogel, Siegfried R.","Novel domino oxidative coupling: C-C bond formation sequence to highly functionalized dibenzo[a,c]cycloheptenes.","Organic letters","2011","13","5","916","919","10.1021/ol102969k","","","0.71073","MoKα","","0.0724","0.046","","","0.1193","0.1298","","","","","","1.028","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501941","11.3375","0.0008","11.6675","0.0007","11.8998","0.0008","100.468","0.003","109.907","0.003","106.463","0.004","1350.14","0.17","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H32 O8 -","- C31 H32 O8 -","- C62 H64 O16 -","2","1","","Hackeloer, Kristina; Schnakenburg, Gregor; Waldvogel, Siegfried R.","Novel domino oxidative coupling: C-C bond formation sequence to highly functionalized dibenzo[a,c]cycloheptenes.","Organic letters","2011","13","5","916","919","10.1021/ol102969k","","","0.71073","MoKα","","0.0862","0.0457","","","0.1049","0.1175","","","","","","0.928","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501942","9.4752","0.0003","7.9303","0.0003","12.82","0.0005","90","","102.782","0.001","90","","939.44","0.06","228","2","228","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C46 H38 N2 O6 S2 -","2","1","","Liu, Guixia; Zhang, Shilei; Li, Hao; Zhang, Tangzhi; Wang, Wei","Organocatalytic enantioselective Friedel-crafts reactions of 1-naphthols with aldimines.","Organic letters","2011","13","5","828","831","10.1021/ol102987n","","","0.71073","MoKα","","0.0397","0.0359","","","0.0947","0.0981","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501943","17.959","0.002","17.959","0.002","7.9998","0.0005","90","","90","","120","","2234.5","0.4","150","1","150","1","","","","","","","","2","P 63","P 6c","173","","","","- C20 H20 -","- C20 H20 -","- C120 H120 -","6","1","","Krämer, Katja; Leong, Paul; Lautens, Mark","Enantioselective palladium-catalyzed carbozincation of cyclopropenes.","Organic letters","2011","13","4","819","821","10.1021/ol1029904","","","0.71073","MoKα","","0.1498","0.0722","","","0.1556","0.1929","","","","","","1.093","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501944","42.662","0.005","9.5733","0.0006","33.755","0.004","90","","125.507","0.017","90","","11222","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 N O3 P -","- C32 H32 N O3 P -","- C512 H512 N16 O48 P16 -","16","2","","Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang","Preparation of Allenephosphoramide and Its Utility in the Preparation of 4,9-Dihydro-2H-benzo[f]isoindoles","Organic Letters","2011","13","5","940","943","10.1021/ol102992n","","","0.71073","MoKα","","0.1245","0.0469","","","0.0965","0.1064","","","","","","0.842","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501945","8.0069","0.0003","15.2932","0.0007","22.1829","0.0011","90","","97.728","0.004","90","","2691.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N O3 P -","- C32 H32 N O3 P -","- C128 H128 N4 O12 P4 -","4","1","","Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang","Preparation of allenephosphoramide and its utility in the preparation of 4,9-dihydro-2h-benzo[f]isoindoles.","Organic letters","2011","13","5","940","943","10.1021/ol102992n","","","0.71073","MoKα","","0.1193","0.0446","","","0.091","0.1012","","","","","","0.795","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501946","18.5397","0.0008","15.0248","0.0006","17.6084","0.0008","90","","103.518","0.005","90","","4769","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H54 N O6 P -","- C57 H54 N O6 P -","- C228 H216 N4 O24 P4 -","4","1","","Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang","Preparation of allenephosphoramide and its utility in the preparation of 4,9-dihydro-2h-benzo[f]isoindoles.","Organic letters","2011","13","5","940","943","10.1021/ol102992n","","","0.71073","MoKα","","0.0756","0.0449","","","0.0988","0.1062","","","","","","0.898","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501947","9.8093","0.0008","12.2537","0.0007","12.4626","0.0009","88.876","0.005","76.621","0.006","82.373","0.006","1444.36","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N O4 P -","- C32 H32 N O4 P -","- C64 H64 N2 O8 P2 -","2","1","","Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang","Preparation of allenephosphoramide and its utility in the preparation of 4,9-dihydro-2h-benzo[f]isoindoles.","Organic letters","2011","13","5","940","943","10.1021/ol102992n","","","0.71073","MoKα","","0.1279","0.052","","","0.1227","0.1435","","","","","","0.876","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501948","12.3332","0.0006","12.9665","0.0009","13.9933","0.0008","100.449","0.005","111.684","0.005","112.065","0.005","1789","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H37 N O -","- C49 H37 N O -","- C98 H74 N2 O2 -","2","1","","Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang","Preparation of allenephosphoramide and its utility in the preparation of 4,9-dihydro-2h-benzo[f]isoindoles.","Organic letters","2011","13","5","940","943","10.1021/ol102992n","","","0.71073","MoKα","","0.0917","0.0398","","","0.0826","0.0907","","","","","","0.816","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501949","5.93358","0.00011","17.3531","0.0004","18.7692","0.0014","90","","90","","90","","1932.59","0.16","153","","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O2 S Si -","- C18 H25 N O2 S Si -","- C72 H100 N4 O8 S4 Si4 -","4","1","","Yazaki, Ryo; Kumagai, Naoya; Shibasaki, Masakatsu","Enantioselective synthesis of a GPR40 agonist AMG 837 via catalytic asymmetric conjugate addition of terminal alkyne to α,β-unsaturated thioamide.","Organic letters","2011","13","5","952","955","10.1021/ol102998w","","","1.54187","CuKα","","","0.0313","","","","0.0793","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501950","5.57254","0.0001","11.2226","0.0002","32.524","0.002","90","","90","","90","","2034","0.14","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O4 S -","- C21 H27 N O4 S -","- C84 H108 N4 O16 S4 -","4","1","","Buesking, Andrew W.; Baguley, Tyler D.; Ellman, Jonathan A.","Asymmetric synthesis of amines by the Knochel-type MgCl2-enhanced addition of benzyl zinc reagents to N-tert-butanesulfinyl aldimines.","Organic letters","2011","13","5","964","967","10.1021/ol103002t","","","1.54187","CuKα","","","0.0691","","","","0.2016","","","","","","1.118","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501951","8.7454","0.0002","10.5113","0.0003","18.0667","0.0013","90","","90","","90","","1660.79","0.13","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 F N O S -","- C16 H26 F N O S -","- C64 H104 F4 N4 O4 S4 -","4","1","","Buesking, Andrew W.; Baguley, Tyler D.; Ellman, Jonathan A.","Asymmetric synthesis of amines by the Knochel-type MgCl2-enhanced addition of benzyl zinc reagents to N-tert-butanesulfinyl aldimines.","Organic letters","2011","13","5","964","967","10.1021/ol103002t","","","1.54187","CuKα","","","0.0769","","","","0.2081","","","","","","1.12","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501952","9.2258","0.0003","12.5277","0.0003","16.8274","0.0005","90","","103.365","0.0017","90","","1892.21","0.1","173.1","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl3 N O4 -","- C19 H14 Cl3 N O4 -","- C76 H56 Cl12 N4 O16 -","4","1","","Takahashi, Hideyo; Wakamatsu, Shintaro; Tabata, Hidetsugu; Oshitari, Tetsuta; Harada, Ayako; Inoue, Keizo; Natsugari, Hideaki","Atropisomerism observed in indometacin derivatives.","Organic letters","2011","13","4","760","763","10.1021/ol103008d","","","1.54187","CuKα","","","0.043","","","","0.1089","","","","","","1.311","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501953","18.363","0.004","5.9771","0.0012","16.314","0.003","90","","94.61","0.03","90","","1784.8","0.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O4 S3 -","- C17.98 H7 N2 O4 S3 -","- C71.92 H28 N8 O16 S12 -","4","1","","Hong, Wei; Yuan, Haihong; Li, Hongxiang; Yang, Xiaodi; Gao, Xike; Zhu, Daoben","Linear fused dithieno[2,3-b:3'2'-d]thiophene diimides.","Organic letters","2011","13","6","1410","1413","10.1021/ol103013d","","","0.71073","MoKα","","0.0634","0.0578","","","0.175","0.1809","","","","","","1.187","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501954","11.5628","0.001","8.5095","0.0007","18.608","0.0016","90","","91.064","0.002","90","","1830.6","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C84 H84 N4 O20 -","4","2","","Hong, Bor-Cherng; Nimje, Roshan Y.; Lin, Cheng-Wei; Liao, Ju-Hsiou","Enantioselective organocatalytic Michael-Wittig-Michael-Michael reaction: dichotomous construction of pentasubstituted cyclopentanecarbaldehydes and pentasubstituted cyclohexanecarbaldehydes.","Organic letters","2011","13","6","1278","1281","10.1021/ol1030487","","","0.71073","MoKα","","0.0927","0.0699","","","0.1334","0.1439","","","","","","1.124","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501955","8.191","0.0016","9.456","0.0019","10.496","0.002","95.84","0.03","99.81","0.03","110.54","0.03","738.6","0.3","89","2","89","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O -","- C19 H19 N O -","- C38 H38 N2 O2 -","2","1","","Guérot, Carine; Tchitchanov, Boris H.; Knust, Henner; Carreira, Erick M.","Synthesis of novel angular spirocyclic azetidines.","Organic letters","2011","13","4","780","783","10.1021/ol103050c","","","0.7","Synchrotron","","0.0576","0.0576","","","0.1464","0.1464","","","","","","1.109","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501956","7.74","0.006","13.342","0.01","24.64","0.018","90","","90","","90","","2545","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Br Cl2 N2 O3 -","- C25 H23 Br Cl2 N2 O3 -","- C100 H92 Br4 Cl8 N8 O12 -","4","1","","Jia, Zhen-Xin; Luo, Yong-Chun; Xu, Peng-Fei","Highly enantioselective synthesis of polysubstituted tetrahydroquinolines via organocatalytic Michael/Aza-Henry tandem reactions.","Organic letters","2011","13","5","832","835","10.1021/ol103069d","","","0.71073","MoKα","","0.1635","0.0498","","","0.1063","0.1426","","","","","","0.961","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501957","11.192","0.005","18.427","0.005","18.549","0.006","90","","97.869","0.017","90","","3789","2","173.1","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 F6 N O3 P Ru -","- C42 H28 F6 N O3 P Ru -","- C168 H112 F24 N4 O12 P4 Ru4 -","4","1","","Kawatsura, Motoi; Yamamoto, Mitsuaki; Namioka, Junya; Kajita, Koji; Hirakawa, Takuya; Itoh, Toshiyuki","Ruthenium-catalyzed regioselective [2 + 2 + 2] cyclotrimerization of trifluoromethyl group substituted internal alkynes.","Organic letters","2011","13","5","1001","1003","10.1021/ol1030734","","","0.71075","MoKα","","","0.0474","","","","0.115","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501958","10.0605","0.0006","11.357","0.0006","11.6434","0.0007","76.252","0.005","68.044","0.006","75.371","0.005","1178.55","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 I N O2 S -","- C28 H22 I N O2 S -","- C56 H44 I2 N2 O4 S2 -","2","1","","Zhu, Yuanxun; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang","Tandem reaction of propargylic alcohol, sulfonamide, and N-iodosuccinimide: synthesis of N-(2-iodoinden-1-yl)arenesulfonamide.","Organic letters","2011","13","5","1024","1027","10.1021/ol103074d","","","0.71073","MoKα","","0.0581","0.0325","","","0.0496","0.0525","","","","","","0.853","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501959","13.5075","0.0006","14.2341","0.0007","14.5006","0.0005","89.032","0.003","85.245","0.003","72.767","0.004","2653.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Cl I N O3 S -","- C29 H23 Cl I N O3 S -","- C116 H92 Cl4 I4 N4 O12 S4 -","4","2","","Zhu, Yuanxun; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang","Tandem reaction of propargylic alcohol, sulfonamide, and N-iodosuccinimide: synthesis of N-(2-iodoinden-1-yl)arenesulfonamide.","Organic letters","2011","13","5","1024","1027","10.1021/ol103074d","","","0.71073","MoKα","","0.066","0.0375","","","0.0732","0.0876","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501960","9.2913","0.0004","29.4694","0.0015","8.8308","0.0004","90","","92.515","0.004","90","","2415.62","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 I N O2 S -","- C28 H22 I N O2 S -","- C112 H88 I4 N4 O8 S4 -","4","1","","Zhu, Yuanxun; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang","Tandem reaction of propargylic alcohol, sulfonamide, and N-iodosuccinimide: synthesis of N-(2-iodoinden-1-yl)arenesulfonamide.","Organic letters","2011","13","5","1024","1027","10.1021/ol103074d","","","0.71073","MoKα","","0.0631","0.034","","","0.0679","0.0726","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501961","9.3961","0.0002","9.469","0.0002","10.2833","0.0002","68.3797","0.001","81.4469","0.0009","62.3658","0.001","753.26","0.03","150","","150","","","","","","","","Synthetic","3","P -1","-P 1","2","","","","- C20 H19 N -","- C20 H19 N -","- C40 H38 N2 -","2","1","","Donohoe, Timothy J.; Basutto, José A; Bower, John F.; Rathi, Akshat","Heteroaromatic synthesis via olefin cross-metathesis: entry to polysubstituted pyridines.","Organic letters","2011","13","5","1036","1039","10.1021/ol103088r","","","0.71073","MoKα","","0.061","0.0415","","0.1077","0.098","0.1077","","","","","","0.9195","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501962","9.6999","0.0003","13.5546","0.0005","13.8504","0.0006","90","","73.7676","0.0016","90","","1748.43","0.11","150","","150","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Donohoe, Timothy J.; Basutto, José A; Bower, John F.; Rathi, Akshat","Heteroaromatic synthesis via olefin cross-metathesis: entry to polysubstituted pyridines.","Organic letters","2011","13","5","1036","1039","10.1021/ol103088r","","","0.71073","MoKα","","0.087","0.0512","","0.1232","0.11","0.123","","","","","","0.9462","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501963","8.3429","0.0002","8.7613","0.0003","9.7629","0.0003","96.9997","0.0019","101.396","0.0018","96.5153","0.0014","687.36","0.04","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C24 H35 I2 N O5 -","- C24 H35 I2 N O5 -","- C24 H35 I2 N O5 -","1","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric synthesis of polyhydroxylated pyrrolizidines via transannular iodoamination with concomitant N-debenzylation.","Organic letters","2011","13","7","1594","1597","10.1021/ol103090z","","","0.71073","MoKα","","0.0255","0.0242","","0.0558","0.0546","0.0558","","","","","","1.0144","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501964","11.4404","0.0003","12.2759","0.0003","14.3996","0.0004","90","","90","","90","","2022.3","0.09","1","","1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 I2 N O5 -","- C16 H27 I2 N O5 -","- C64 H108 I8 N4 O20 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric synthesis of polyhydroxylated pyrrolizidines via transannular iodoamination with concomitant N-debenzylation.","Organic letters","2011","13","7","1594","1597","10.1021/ol103090z","","","0.71073","MoKα","","0.0439","0.0377","","0.0898","0.0842","0.0898","","","","","","0.8829","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501965","13.5694","0.0005","17.621","0.0006","24.7835","0.0009","90","","101.814","0.001","90","","5800.4","0.4","125","2","125","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H28.5 F3 I N3 O1.75 -","- C26 H21 F3 I N3 O -","- C208 H168 F24 I8 N24 O8 -","8","4","","Notte, Gregory T.; Baxter Vu, Jenny M.; Leighton, James L.","Highly enantioselective Mannich reactions with α-aryl silyl ketene acetals and imines.","Organic letters","2011","13","4","816","818","10.1021/ol103096u","","","0.71073","MoKα","","0.0618","0.042","","","0.0912","0.0979","","","","","","0.986","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501966","12.2467","0.0002","7.47592","0.00013","17.7579","0.0003","90","","96.7267","0.0017","90","","1614.64","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","","Turner, Penelope A.; Griffin, Ellanna M.; Whatmore, Jacqueline L.; Shipman, Michael","Tetrahydroxanthones by sequential Pd-catalyzed C-O and C-C bond construction and use in the identification of the ""antiausterity"" pharmacophore of the kigamicins.","Organic letters","2011","13","5","1056","1059","10.1021/ol103103n","","","0.71073","MoKα","","0.0692","0.0429","","","0.1019","0.1072","","","","","","0.926","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501967","13.1938","0.0007","6.3948","0.0003","13.5567","0.0007","90","","110.214","0.004","90","","1073.35","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H27 N O2 -","- C26 H28 N O2 -","- C52 H56 N2 O4 -","2","1","","Cohen, Daniel T.; Cardinal-David, Benoit; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.","NHC-catalyzed/titanium(IV)-mediated highly diastereo- and enantioselective dimerization of enals.","Organic letters","2011","13","5","1068","1071","10.1021/ol103112v","","","1.54178","CuKα","","0.0602","0.0521","","","0.1453","0.151","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501968","28.765","0.006","6.134","0.0012","25.888","0.005","90","","116.08","0.03","90","","4102.7","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 N O2 -","- C25 H27 N O2 -","- C200 H216 N8 O16 -","8","1","","Cohen, Daniel T.; Cardinal-David, Benoit; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.","NHC-catalyzed/titanium(IV)-mediated highly diastereo- and enantioselective dimerization of enals.","Organic letters","2011","13","5","1068","1071","10.1021/ol103112v","","","0.69996","synchrotron","","0.0798","0.0643","","","0.173","0.1844","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501969","10.9327","0.0005","19.6472","0.0009","27.9312","0.0012","90","","90","","90","","5999.5","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H38 Cl N O2 -","- C35 H38 Cl N O2 -","- C280 H304 Cl8 N8 O16 -","8","1","","Cohen, Daniel T.; Cardinal-David, Benoit; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.","NHC-catalyzed/titanium(IV)-mediated highly diastereo- and enantioselective dimerization of enals.","Organic letters","2011","13","5","1068","1071","10.1021/ol103112v","","","1.54178","CuKα","","0.1328","0.0524","","","0.0901","0.1139","","","","","","0.954","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501970","18.0088","0.0008","8.1117","0.0003","18.6667","0.0009","90","","113.387","0.005","90","","2502.8","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O8 -","- C29 H28 O8 -","- C116 H112 O32 -","4","1","","Hager, Anastasia; Mazunin, Dmitry; Mayer, Peter; Trauner, Dirk","Synthetic studies toward A-74528.","Organic letters","2011","13","6","1386","1389","10.1021/ol103117j","","","0.71073","MoKα","","0.0808","0.049","","","0.1247","0.1338","","","","","","0.908","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501971","10.3923","0.0008","10.6376","0.0008","15.6535","0.0014","90","","90","","90","","1730.5","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 B O6 -","- C17 H23 B O6 -","- C68 H92 B4 O24 -","4","1","","Hager, Anastasia; Mazunin, Dmitry; Mayer, Peter; Trauner, Dirk","Synthetic studies toward A-74528.","Organic letters","2011","13","6","1386","1389","10.1021/ol103117j","","","0.71073","MoKα","","0.0896","0.044","","","0.085","0.0922","","","","","","0.803","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501972","7.8896","0.0003","9.0992","0.0003","9.4428","0.0004","88.983","0.003","84.074","0.003","83.609","0.003","670.06","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Br N O3 -","- C15 H14 Br N O3 -","- C30 H28 Br2 N2 O6 -","2","1","","Hager, Anastasia; Mazunin, Dmitry; Mayer, Peter; Trauner, Dirk","Synthetic studies toward A-74528.","Organic letters","2011","13","6","1386","1389","10.1021/ol103117j","","","0.71073","MoKα","","0.0317","0.0256","","","0.0582","0.0588","","","","","","0.974","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501973","8.8643","0.0009","11.8667","0.0012","10.0142","0.0011","90","","107.486","0.002","90","","1004.72","0.18","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Br N2 O6 -","- C20 H21 Br N2 O6 -","- C40 H42 Br2 N4 O12 -","2","1","","Wang, Xu-Fan; An, Jing; Zhang, Xiao-Xiao; Tan, Fen; Chen, Jia-Rong; Xiao, Wen-Jing","Catalytic asymmetric aza-Michael-Michael addition cascade: enantioselective synthesis of polysubstituted 4-aminobenzopyrans.","Organic letters","2011","13","4","808","811","10.1021/ol1031188","","","0.71073","MoKα","","0.0581","0.0492","","","0.1131","0.1165","","","","","","0.957","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501974","20.2038","0.0013","5.1569","0.0003","18.62","0.0012","90","","114.023","0.001","90","","1771.96","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H20 Br N O3 -","- C21 H20 Br N O3 -","- C84 H80 Br4 N4 O12 -","4","1","","Deb, Indubhusan; Das, Deepankar; Seidel, Daniel","Redox isomerization via azomethine ylide intermediates: N-alkyl indoles from indolines and aldehydes.","Organic letters","2011","13","4","812","815","10.1021/ol1031359","","","0.71073","MoKα","","0.0238","0.0231","","","0.061","0.0614","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501975","15.8048","0.0003","8.9561","0.0002","18.1279","0.0003","90","","103.548","0.001","90","","2494.59","0.08","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O7 S -","- C28 H26 N2 O7 S -","- C112 H104 N8 O28 S4 -","4","1","","Kislukhin, Alexander A.; Higginson, Cody J.; Finn, M. G.","Aqueous-phase deactivation and intramolecular [2 + 2 + 2] cycloaddition of oxanorbornadiene esters.","Organic letters","2011","13","7","1832","1835","10.1021/ol103153f","","","0.71073","MoKα","","0.0596","0.0447","","","0.1418","0.1549","","","","","","1.116","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501976","10.145","0.002","9.4248","0.0019","21.513","0.004","90","","100.57","0.03","90","","2022.1","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C96 H92 N4 O20 -","4","1","","Chen, Xiang-Yu; Wen, Ming-Wei; Ye, Song; Wang, Zhi-Xiang","Unusual formal [4 + 2] cycloaddition of ethyl allenoate with arylidenoxindoles: synthesis of dihydropyran-fused indoles.","Organic letters","2011","13","5","1138","1141","10.1021/ol103165y","","","0.71073","MoKα","","0.0621","0.0531","","","0.1374","0.1504","","","","","","1.211","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501977","7.894","0.0009","5.7394","0.0006","13.2234","0.0014","90","","99.583","0.002","90","","590.75","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 S -","- C12 H16 O3 S -","- C24 H32 O6 S2 -","2","1","","Emerson, Christopher R.; Zakharov, Lev N.; Blakemore, Paul R.","Iterative stereospecific reagent-controlled homologation using a functionalized α-chloroalkyllithium: synthesis of cyclic targets related to epibatidine.","Organic letters","2011","13","6","1318","1321","10.1021/ol103170y","","","0.71073","MoKα","","0.0234","0.0231","","","0.0612","0.0615","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501978","6.8959","0.0012","9.5822","0.0016","10.2161","0.0017","90","","107.309","0.002","90","","644.49","0.19","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl O3 S -","- C12 H15 Cl O3 S -","- C24 H30 Cl2 O6 S2 -","2","1","","Emerson, Christopher R.; Zakharov, Lev N.; Blakemore, Paul R.","Iterative stereospecific reagent-controlled homologation using a functionalized α-chloroalkyllithium: synthesis of cyclic targets related to epibatidine.","Organic letters","2011","13","6","1318","1321","10.1021/ol103170y","","","0.71073","MoKα","","0.0256","0.0252","","","0.0689","0.0695","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501979","15.176","0.002","9.6244","0.0015","8.8976","0.0014","90","","94.396","0.002","90","","1295.8","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H15 Cl O3 S -","- C12 H15 Cl O3 S -","- C48 H60 Cl4 O12 S4 -","4","1","","Emerson, Christopher R.; Zakharov, Lev N.; Blakemore, Paul R.","Iterative stereospecific reagent-controlled homologation using a functionalized α-chloroalkyllithium: synthesis of cyclic targets related to epibatidine.","Organic letters","2011","13","6","1318","1321","10.1021/ol103170y","","","0.71073","MoKα","","0.0398","0.0394","","","0.1093","0.11","","","","","","1.081","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501980","8.0356","0.0007","11.0921","0.001","17.5466","0.0016","90","","90","","90","","1564","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N O5 -","- C15 H20 Cl N O5 -","- C60 H80 Cl4 N4 O20 -","4","1","","Emerson, Christopher R.; Zakharov, Lev N.; Blakemore, Paul R.","Iterative stereospecific reagent-controlled homologation using a functionalized α-chloroalkyllithium: synthesis of cyclic targets related to epibatidine.","Organic letters","2011","13","6","1318","1321","10.1021/ol103170y","","","0.71073","MoKα","","0.03","0.0291","","","0.0777","0.0788","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501981","8.821","0.003","11.131","0.004","13.131","0.004","92.575","0.004","99.847","0.004","95.085","0.004","1262.9","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H25 N -","- C35 H25 N -","- C70 H50 N2 -","2","1","","Luo, Yong; Pan, Xiaolin; Wu, Jie","Efficient Synthesis of 5H-Cyclopenta[c]quinoline Derivatives via Palladium-Catalyzed Domino Reactions of o-Alkynylhalobenzene with Amine","Organic Letters","2011","13","5","1150","1153","10.1021/ol103173v","","","0.71073","MoKα","","0.0902","0.0746","","","0.2025","0.2227","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501982","8.9387","0.0015","9.9381","0.0016","14.389","0.002","92.115","0.003","99.658","0.003","95.354","0.003","1252.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N O7 -","- C28 H29 N O7 -","- C56 H58 N2 O14 -","2","1","","Zhang, Xiu-Chun; Cao, Shu-Hua; Wei, Yin; Shi, Min","Phosphine- and nitrogen-containing Lewis base catalyzed highly regioselective and geometric selective cyclization of isatin derived electron-deficient alkenes with ethyl 2,3-butadienoate.","Organic letters","2011","13","5","1142","1145","10.1021/ol1031798","","","0.71073","MoKα","","0.0878","0.0724","","","0.1996","0.2132","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501983","8.912","0.003","11.563","0.004","14.488","0.005","111.421","0.005","93.474","0.006","109.002","0.006","1286.5","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N O7 -","- C28 H29 N O7 -","- C56 H58 N2 O14 -","2","1","","Zhang, Xiu-Chun; Cao, Shu-Hua; Wei, Yin; Shi, Min","Phosphine- and nitrogen-containing Lewis base catalyzed highly regioselective and geometric selective cyclization of isatin derived electron-deficient alkenes with ethyl 2,3-butadienoate.","Organic letters","2011","13","5","1142","1145","10.1021/ol1031798","","","0.71073","MoKα","","0.0718","0.0616","","","0.1775","0.1883","","","","","","1.07","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501984","12.648","0.0013","18.681","0.002","11.3502","0.0012","90","","103.573","0.002","90","","2606.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N O7 -","- C28 H29 N O7 -","- C112 H116 N4 O28 -","4","1","","Zhang, Xiu-Chun; Cao, Shu-Hua; Wei, Yin; Shi, Min","Phosphine- and nitrogen-containing Lewis base catalyzed highly regioselective and geometric selective cyclization of isatin derived electron-deficient alkenes with ethyl 2,3-butadienoate.","Organic letters","2011","13","5","1142","1145","10.1021/ol1031798","","","0.71073","MoKα","","0.1199","0.0726","","","0.1741","0.1967","","","","","","0.881","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501985","13.776","0.002","8.3633","0.0013","18.579","0.003","90","","96.626","0.002","90","","2126.2","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O7 -","- C22 H25 N O7 -","- C88 H100 N4 O28 -","4","2","","Zhang, Xiu-Chun; Cao, Shu-Hua; Wei, Yin; Shi, Min","Phosphine- and nitrogen-containing Lewis base catalyzed highly regioselective and geometric selective cyclization of isatin derived electron-deficient alkenes with ethyl 2,3-butadienoate.","Organic letters","2011","13","5","1142","1145","10.1021/ol1031798","","","0.71073","MoKα","","0.0533","0.0518","","","0.1472","0.1495","","","","","","1.07","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501986","25.595","0.006","9.572","0.002","25.369","0.006","90","","97.71","0.004","90","","6159","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 N6 O -","- C44 H26 N6 O -","- C352 H208 N48 O8 -","8","2","","Akhigbe, Joshua; Zeller, Matthias; Brückner, Christian","Quinoline-annulated porphyrins.","Organic letters","2011","13","6","1322","1325","10.1021/ol1031848","","","0.71073","MoKα","","0.1531","0.0692","","","0.1491","0.1786","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501987","5.8373","0.0004","18.1668","0.0013","21.7172","0.0015","90","","90","","90","","2303","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cl N2 O4 -","- C23 H27 Cl N2 O4 -","- C92 H108 Cl4 N8 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter.","Organic letters","2011","13","6","1338","1341","10.1021/ol200006e","","","0.71073","MoKα","","0.0849","0.0556","","","0.1318","0.1464","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501988","5.8869","0.0004","12.4397","0.0009","30.019","0.002","90","","90","","90","","2198.3","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Br N2 O4 -","- C23 H25 Br N2 O4 -","- C92 H100 Br4 N8 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter.","Organic letters","2011","13","6","1338","1341","10.1021/ol200006e","","","0.71073","MoKα","","0.0524","0.035","","","0.0766","0.089","","","","","","0.966","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501989","5.6207","0.0004","21.3127","0.0015","37.844","0.003","90","","90","","90","","4533.4","0.6","150","2","150","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H30 N2 O5 -","- C24 H30.01 N2.01 O5.02 -","- C192 H240.08 N16.08 O40.16 -","8","1","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter.","Organic letters","2011","13","6","1338","1341","10.1021/ol200006e","","","0.71073","MoKα","","0.1108","0.0732","","","0.1914","0.2187","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501990","12.6085","0.0017","5.7821","0.0008","15.108","0.002","90","","112.947","0.003","90","","1014.3","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10.5 Br0.5 N O2 -","- C10 H10.5 Br0.5 N O2 -","- C40 H42 Br2 N4 O8 -","4","2","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter.","Organic letters","2011","13","6","1338","1341","10.1021/ol200006e","","","0.71073","MoKα","","0.1166","0.0713","","","0.1695","0.2014","","","","","","1.064","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501991","17.8049","0.0008","8.5396","0.0003","10.293","0.0005","90","","104.004","0.005","90","","1518.5","0.12","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Si2 -","- C36 H34 Si2 -","- C72 H68 Si4 -","2","0.5","","Gessner, Viktoria H.; Tilley, T. Don","Diphenylanthracene macrocylces from reductive zirconocene coupling: on the edge of steric overload.","Organic letters","2011","13","5","1154","1157","10.1021/ol2000099","","","0.71073","MoKα","","0.0532","0.0352","","","0.0828","0.0855","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501992","78.14","0.04","11.995","0.006","25.629","0.012","90","","104.904","0.008","90","","23214","2","149","2","149","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C108 H108 Si6 -","- C108 H108 Si6 -","- C864 H864 Si48 -","8","1","","Gessner, Viktoria H.; Tilley, T. Don","Diphenylanthracene macrocylces from reductive zirconocene coupling: on the edge of steric overload.","Organic letters","2011","13","5","1154","1157","10.1021/ol2000099","","","0.71073","MoKα","","0.2386","0.1116","","","0.2185","0.2345","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501993","12.0408","0.0008","11.9207","0.001","25.282","0.002","90","","96.518","0.002","90","","3605.4","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H35 N -","- C50 H35 N -","- C200 H140 N4 -","4","1","","Ehlers, Peter; Neubauer, Antje; Lochbrunner, Stefan; Villinger, Alexander; Langer, Peter","Multiple sonogashira reactions of polychlorinated molecules. Synthesis and photophysical properties of the first pentaalkynylpyridines.","Organic letters","2011","13","7","1618","1621","10.1021/ol2000183","","","0.71073","MoKα","","0.161","0.0594","","","0.1097","0.1344","","","","","","0.907","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501994","18.6752","0.0012","18.6752","0.0012","10.6107","0.0009","90","","90","","120","","3204.8","0.4","173","2","173","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- C60 H42 -","- C60 H42 -","- C180 H126 -","3","0.166667","","Ehlers, Peter; Neubauer, Antje; Lochbrunner, Stefan; Villinger, Alexander; Langer, Peter","Multiple sonogashira reactions of polychlorinated molecules. Synthesis and photophysical properties of the first pentaalkynylpyridines.","Organic letters","2011","13","7","1618","1621","10.1021/ol2000183","","","0.71073","MoKα","","0.0502","0.0418","","","0.1269","0.1338","","","","","","1.091","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501995","34.4501","0.0004","34.4501","0.0004","11.2367","0.0003","90","","90","","120","","11549.2","0.4","296","2","296","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C33 H24 O4 -","- C33 H24 O4 -","- C594 H432 O72 -","18","1","","Chen, Zuliang; Wei, Lai; Zhang, Junliang","Lewis acid catalyzed carbon-carbon bond cleavage of aryl oxiranyl diketones: synthesis of cis-2,5-disubstituted 1,3-dioxolanes.","Organic letters","2011","13","5","1170","1173","10.1021/ol2000292","","","0.71073","MoKα","","0.0369","0.0311","","","0.0683","0.0717","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501996","10.333","0.002","8.0719","0.0016","21.608","0.004","90","","100.077","0.005","90","","1774.5","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Chen, Zuliang; Wei, Lai; Zhang, Junliang","Lewis acid catalyzed carbon-carbon bond cleavage of aryl oxiranyl diketones: synthesis of cis-2,5-disubstituted 1,3-dioxolanes.","Organic letters","2011","13","5","1170","1173","10.1021/ol2000292","","","0.71073","MoKα","","0.058","0.0467","","","0.1305","0.1401","","","","","","1.083","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501997","13.5779","0.0005","13.641","0.0005","15.0542","0.0006","65.339","0.002","65.488","0.002","64.504","0.002","2191.1","0.15","90","0.1","90","0.1","","","","","","","","3","P 1","P 1","1","","","","- C25 H28 O9 -","- C25 H28 O9 -","- C100 H112 O36 -","4","4","","de Silva, E. Dilip; Williams, David E.; Jayanetti, Dinith R.; Centko, Ryan M.; Patrick, Brian O.; Wijesundera, Ravi L. C.; Andersen, Raymond J.","Dhilirolides A-D, meroterpenoids produced in culture by the fruit-infecting fungus Penicillium purpurogenum collected in Sri Lanka.","Organic letters","2011","13","5","1174","1177","10.1021/ol200031t","","","1.54178","CuKα","","0.042","0.0402","","","0.1047","0.1083","","","","","","1.046","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1501998","8.5231","0.0004","29.4273","0.0012","11.1098","0.0005","90","","98.976","0.003","90","","2752.3","0.2","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H27 Br2 N O5 -","- C29 H27 Br2 N O5 -","- C116 H108 Br8 N4 O20 -","4","2","","Xia, Bing; Gerard, Baudouin; Solano, Danielle M.; Wan, Jiandi; Jones, 2nd, Guilford; Porco, Jr, John A","ESIPT-mediated photocycloadditions of 3-hydroxyquinolinones: development of a fluorescence quenching assay for reaction screening.","Organic letters","2011","13","6","1346","1349","10.1021/ol200032f","","","0.71073","MoKα","","0.0869","0.0471","","","0.0985","0.1118","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501999","10.912","0.002","11.048","0.002","12.028","0.002","84","0.03","69.82","0.03","79.15","0.03","1335.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H34 N4 O -","- C31 H34 N4 O -","- C62 H68 N8 O2 -","2","1","","Zhang, Shaoguang; Zhao, Jing; Zhang, Wen-Xiong; Xi, Zhenfeng","One-pot synthesis of pyrrolo[3,2-d]pyridazines and pyrrole-2,3-diones via zirconocene-mediated four-component coupling of Si-tethered diyne, nitriles, and azide.","Organic letters","2011","13","7","1626","1629","10.1021/ol200038n","","","0.71073","MoKα","","0.133","0.0489","","","0.0905","0.0976","","","","","","1.003","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502000","6.2237","0.0012","12.171","0.002","13.138","0.003","82.83","0.03","80.74","0.03","82.4","0.03","968.1","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C48 H50 N2 O4 -","2","1","","Zhang, Shaoguang; Zhao, Jing; Zhang, Wen-Xiong; Xi, Zhenfeng","One-pot synthesis of pyrrolo[3,2-d]pyridazines and pyrrole-2,3-diones via zirconocene-mediated four-component coupling of Si-tethered diyne, nitriles, and azide.","Organic letters","2011","13","7","1626","1629","10.1021/ol200038n","","","0.71073","MoKα","","0.1245","0.0518","","","0.1064","0.1209","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502001","12.118","0.002","13.959","0.003","12.467","0.003","90","","107.72","0.03","90","","2008.8","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C96 H96 N8 O4 -","4","1","","Zhang, Shaoguang; Zhao, Jing; Zhang, Wen-Xiong; Xi, Zhenfeng","One-pot synthesis of pyrrolo[3,2-d]pyridazines and pyrrole-2,3-diones via zirconocene-mediated four-component coupling of Si-tethered diyne, nitriles, and azide.","Organic letters","2011","13","7","1626","1629","10.1021/ol200038n","","","0.71073","MoKα","","0.1253","0.0539","","","0.0748","0.0786","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502002","6.4777","0.0015","16.504","0.005","29.762","0.007","90","","90","","90","","3181.8","1.4","123","","123","","","","","","","","","3","P 21 2 21","P 2ac 2ac","18","","","","- C32 H56.76 O8.38 -","- C32 H53 O8.375 -","- C128 H212 O33.5 -","4","1","","Abbet, Christian; Neuburger, Markus; Wagner, Trixie; Quitschau, Melanie; Hamburger, Matthias; Potterat, Olivier","Phyteumosides A and B: new saponins with unique triterpenoid aglycons from Phyteuma orbiculare L.","Organic letters","2011","13","6","1354","1357","10.1021/ol200047v","","","0.71073","MoKα","","0.1551","0.088","","0.2294","0.1988","0.2294","","","","","","0.9538","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502003","50.084","0.004","5.9938","0.0006","13.2247","0.001","90","","105.051","0.004","90","","3833.8","0.6","173","","173","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H70 O14 -","- C32 H60 O14 -","- C128 H240 O56 -","4","1","","Abbet, Christian; Neuburger, Markus; Wagner, Trixie; Quitschau, Melanie; Hamburger, Matthias; Potterat, Olivier","Phyteumosides A and B: new saponins with unique triterpenoid aglycons from Phyteuma orbiculare L.","Organic letters","2011","13","6","1354","1357","10.1021/ol200047v","","","1.5418","CuKα","","0.104","0.0833","","0.116","0.0862","0.0862","","","","","","0.9263","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502004","7.001","0.005","15.566","0.007","17.278","0.006","90","","97.18","0.05","90","","1868.1","1.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N -","- C24 H21 N -","- C96 H84 N4 -","4","1","","Verma, Akhilesh Kumar; Joshi, Megha; Singh, Ved Prakash","Base-mediated regio- and stereoselective intermolecular addition of alkynes to N-heterocycles.","Organic letters","2011","13","7","1630","1633","10.1021/ol200048z","","","0.71073","MoKα","","0.2743","0.1249","","","0.3094","0.38","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502005","9.7942","0.0009","12.2796","0.0012","12.112","0.0012","90","","103.887","0.002","90","","1414.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N4 O4 S -","- C13 H14 N4 O4 S -","- C52 H56 N16 O16 S4 -","4","1","","Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.","Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.","Organic letters","2011","13","6","1382","1385","10.1021/ol200067e","","","0.71073","MoKα","","0.0512","0.0432","","","0.1137","0.1189","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502006","14.707","0.003","5.2984","0.0011","19.177","0.004","90","","93.359","0.004","90","","1491.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N5 O3 S -","- C14 H17 N5 O3 S -","- C56 H68 N20 O12 S4 -","4","1","","Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.","Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.","Organic letters","2011","13","6","1382","1385","10.1021/ol200067e","","","0.71073","MoKα","","0.0752","0.0665","","","0.1718","0.1838","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502007","26.7452","0.0019","11.6338","0.0007","18.7886","0.0011","90","","107.743","0.002","90","","5568","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 N5 O3 S -","- C33 H31 N5 O3 S -","- C264 H248 N40 O24 S8 -","8","1","","Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.","Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.","Organic letters","2011","13","6","1382","1385","10.1021/ol200067e","","","0.71073","MoKα","","0.0639","0.052","","","0.1332","0.1421","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502008","11.967","0.0013","12.7826","0.0014","10.6078","0.0011","90","","91.783","0.001","90","","1621.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N5 O3 S -","- C15 H19 N5 O3 S -","- C60 H76 N20 O12 S4 -","4","1","","Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.","Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.","Organic letters","2011","13","6","1382","1385","10.1021/ol200067e","","","0.71073","MoKα","","0.0671","0.0522","","","0.1351","0.1444","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502009","35.609","0.003","5.7753","0.0005","14.2217","0.0013","90","","94.238","0.002","90","","2916.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 N5 O3 S -","- C13 H15 N5 O3 S -","- C104 H120 N40 O24 S8 -","8","1","","Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.","Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.","Organic letters","2011","13","6","1382","1385","10.1021/ol200067e","","","0.71073","MoKα","","0.0681","0.0587","","","0.1589","0.1666","","","","","","1.138","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502010","9.6362","0.0009","11.6135","0.0011","14.9611","0.0014","68.844","0.002","89.865","0.002","85.494","0.002","1556","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 N5 O3 S -","- C36 H38 N5 O3 S -","- C72 H76 N10 O6 S2 -","2","1","","Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.","Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.","Organic letters","2011","13","6","1382","1385","10.1021/ol200067e","","","0.71073","MoKα","","0.1086","0.0862","","","0.2144","0.2308","","","","","","1.717","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502011","9.5315","0.0006","10.4853","0.0005","11.9199","0.0006","81.715","0.002","76.668","0.003","79.787","0.003","1134.17","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H14 Br4 -","- C26 H14 Br4 -","- C52 H28 Br8 -","2","1","","Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra","Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.","Organic letters","2011","13","7","1634","1637","10.1021/ol200069c","","","1.54178","CuKα","","0.0422","0.0407","","","0.1173","0.1195","","","","","","1.127","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502012","10.9572","0.0011","10.3404","0.0012","19.78","0.002","90","","104.931","0.006","90","","2165.4","0.4","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 -","- C30 H26 -","- C120 H104 -","4","1","","Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra","Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.","Organic letters","2011","13","7","1634","1637","10.1021/ol200069c","","","1.54178","CuKα","","0.0938","0.055","","","0.1302","0.1506","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502013","9.8526","0.0002","18.1426","0.0003","19.4664","0.0003","108.757","0.001","100.399","0.001","100.076","0.001","3137.68","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28.33 H22.33 Cl -","- C28.3333 H22.3333 Cl -","- C170 H134 Cl6 -","6","3","","Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra","Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.","Organic letters","2011","13","7","1634","1637","10.1021/ol200069c","","","1.54178","CuKα","","0.0462","0.0371","","","0.096","0.1005","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502014","9.6702","0.0002","9.6964","0.0002","11.0895","0.0002","79.568","0.001","77.854","0.001","76.233","0.001","977.9","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H16 Br2 -","- C26 H16 Br2 -","- C52 H32 Br4 -","2","1","","Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra","Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.","Organic letters","2011","13","7","1634","1637","10.1021/ol200069c","","","1.54178","CuKα","","0.0238","0.0234","","","0.0625","0.0628","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502015","20.7871","0.0003","9.92103","0.00017","22.1583","0.0003","90","","97.5244","0.0014","90","","4530.35","0.12","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 Br4 -","- C26 H14 Br4 -","- C208 H112 Br32 -","8","1","","Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra","Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.","Organic letters","2011","13","7","1634","1637","10.1021/ol200069c","","","0.7107","MoKα","","0.1101","0.0544","","","0.0886","0.1034","","","","","","1.076","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502016","20.3854","0.0004","10.05033","0.00019","21.6071","0.0005","90","","97.21","0.002","90","","4391.86","0.16","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 -","- C30 H26 -","- C240 H208 -","8","1","","Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra","Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.","Organic letters","2011","13","7","1634","1637","10.1021/ol200069c","","","1.5418","CuKα","","0.0544","0.0394","","","0.0989","0.1052","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502017","10.625","0.002","11.575","0.002","12.145","0.002","78.441","0.007","69.879","0.007","73.73","0.007","1337.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 N O7 S -","- C27 H33 N O7 S -","- C54 H66 N2 O14 S2 -","2","1","","Witek, Jason A.; Weinreb, Steven M.","Investigation of the stereochemistry of intermolecular conjugate additions of nucleophiles to acyclic nitrosoalkenes.","Organic letters","2011","13","5","1258","1260","10.1021/ol2000793","","","0.71073","MoKα","","0.1675","0.0854","","","0.1741","0.2084","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502018","10.5885","0.0012","11.549","0.0013","12.6474","0.0014","78.5","0.003","67.748","0.003","74.424","0.003","1370.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 N O8 S -","- C27 H33 N O8 S -","- C54 H66 N2 O16 S2 -","2","1","","Witek, Jason A.; Weinreb, Steven M.","Investigation of the stereochemistry of intermolecular conjugate additions of nucleophiles to acyclic nitrosoalkenes.","Organic letters","2011","13","5","1258","1260","10.1021/ol2000793","","","0.71073","MoKα","","0.0821","0.06","","","0.164","0.1796","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502019","10.4925","0.0009","15.2878","0.0012","17.4611","0.0014","90","","95.649","0.002","90","","2787.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 N2 O9 S -","- C25 H36 N2 O9 S -","- C100 H144 N8 O36 S4 -","4","1","","Witek, Jason A.; Weinreb, Steven M.","Investigation of the stereochemistry of intermolecular conjugate additions of nucleophiles to acyclic nitrosoalkenes.","Organic letters","2011","13","5","1258","1260","10.1021/ol2000793","","","0.71073","MoKα","","0.1062","0.0629","","","0.1437","0.1665","","","","","","1.025","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502020","7.19","0.003","10.65","0.004","10.795","0.003","104.17","0.03","103.5","0.03","96.7","0.03","766","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Cl N2 O -","- C17 H17 Cl N2 O -","- C34 H34 Cl2 N4 O2 -","2","1","","Kumar, Arepalli Sateesh; Nagarajan, Rajagopal","Synthesis of α-carbolines via Pd-catalyzed amidation and Vilsmeier-Haack reaction of 3-acetyl-2-chloroindoles.","Organic letters","2011","13","6","1398","1401","10.1021/ol2000827","","","0.71073","MoKα","","0.1165","0.0459","","","0.0977","0.1145","","","","","","0.841","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1502021","8.466","0.005","9.68","0.003","16.183","0.007","90","","90","","90","","1326.2","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Kumar, Arepalli Sateesh; Nagarajan, Rajagopal","Synthesis of α-carbolines via Pd-catalyzed amidation and Vilsmeier-Haack reaction of 3-acetyl-2-chloroindoles.","Organic letters","2011","13","6","1398","1401","10.1021/ol2000827","","","0.71073","MoKα","","0.1142","0.0514","","","0.0881","0.1021","","","","","","0.829","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502022","10.6719","0.0007","12.0517","0.0008","13.6594","0.001","79.724","0.006","89.131","0.006","71.349","0.005","1636.2","0.2","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C33 H44 N2 O6 S Si -","- C33 H44 N2 O6 S Si -","- C66 H88 N4 O12 S2 Si2 -","2","1","","Breuning, M André; Harms, Klaus; Koert, Ulrich","The imidato-alkenyllithium route for the synthesis of the isoquinocycline-pyrrolopyrrole substructure.","Organic letters","2011","13","6","1402","1405","10.1021/ol200085g","","x-ray","0.71073","MoKα","","0.0433","0.0336","","","0.0865","0.0893","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502023","15.266","0.003","14.002","0.003","13.444","0.003","90","","93.68","0.03","90","","2867.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O S -","- C16 H15 N O S -","- C128 H120 N8 O8 S8 -","8","2","","Li, Yuye; Shi, Yi; Huang, Zhongxing; Wu, Xinhu; Xu, Pengfei; Wang, Jianbo; Zhang, Yan","Catalytic thia-Sommelet-Hauser rearrangement: application to the synthesis of oxindoles.","Organic letters","2011","13","5","1210","1213","10.1021/ol200091k","","","0.71073","MoKα","","0.1018","0.0435","","","0.0923","0.1245","","","","","","0.993","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502024","8.1141","0.0018","12.333","0.003","12.54","0.003","75.603","0.005","79.653","0.005","86.555","0.005","1195.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 Cl N2 O6 S -","- C27 H19 Cl N2 O6 S -","- C54 H38 Cl2 N4 O12 S2 -","2","1","","Rajeshwaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.","Synthetic studies on indolocarbazoles: total synthesis of staurosporine aglycon.","Organic letters","2011","13","6","1418","1421","10.1021/ol200094b","","","0.71073","MoKα","","0.0913","0.07","","","0.2115","0.2307","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502025","8.2699","0.0009","11.008","0.0011","13.4496","0.0013","90.216","0.006","96.142","0.005","106.895","0.004","1164","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 F N2 O6 S -","- C27 H19 F N2 O6 S -","- C54 H38 F2 N4 O12 S2 -","2","1","","Rajeshwaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.","Synthetic studies on indolocarbazoles: total synthesis of staurosporine aglycon.","Organic letters","2011","13","6","1418","1421","10.1021/ol200094b","","","0.71073","MoKα","","0.0933","0.0459","","","0.1072","0.1267","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502026","8.685","0.0003","12.5559","0.0004","13.1495","0.0004","65.376","0.002","76.518","0.002","70.244","0.002","1219.64","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O8 S -","- C28 H20 N2 O8 S -","- C56 H40 N4 O16 S2 -","2","1","","Rajeshwaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.","Synthetic studies on indolocarbazoles: total synthesis of staurosporine aglycon.","Organic letters","2011","13","6","1418","1421","10.1021/ol200094b","","","0.71073","MoKα","","0.0589","0.0409","","","0.1096","0.1215","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502027","8.4428","0.0006","10.0656","0.0007","32.412","0.002","90","","90","","90","","2754.4","0.3","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Br O4 -","- C29 H41 Br O4 -","- C116 H164 Br4 O16 -","4","1","","Lin, Hongkun; Pochapsky, Susan S.; Krauss, Isaac J.","A short asymmetric route to the bromophycolide A and D skeleton.","Organic letters","2011","13","5","1222","1225","10.1021/ol200099n","","","0.71073","MoKα","","0.0427","0.0331","","0.0673","0.0657","0.0673","","","","","","0.9653","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502028","8.3737","0.0003","12.6257","0.0005","21.4999","0.0008","90","","90","","90","","2273.05","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H20 N2 O -","- C34 H20 N2 O -","- C136 H80 N8 O4 -","4","1","","Chen, Jinshui; Captain, Burjor; Takenaka, Norito","Helical chiral 2,2'-bipyridine N-monoxides as catalysts in the enantioselective propargylation of aldehydes with allenyltrichlorosilane.","Organic letters","2011","13","7","1654","1657","10.1021/ol200102c","","","0.71073","MoKα","","0.045","0.0391","","","0.106","0.1122","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502029","8.096","0.004","6.072","0.003","14.533","0.007","90","","98.522","0.007","90","","706.5","0.6","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 Cl3 O2 -","- C15 H13 Cl3 O2 -","- C30 H26 Cl6 O4 -","2","1","","Hara, Noriyuki; Tamura, Ryota; Funahashi, Yasuhiro; Nakamura, Shuichi","N-(heteroarenesulfonyl)prolinamides-catalyzed aldol reaction between acetone and aryl trihalomethyl ketones.","Organic letters","2011","13","7","1662","1665","10.1021/ol2001039","","","0.7107","MoKα","","","0.0338","","","","0.0632","","","","","","1.274","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502030","7.1137","0.0012","32.608","0.005","7.7093","0.0013","90","","94.914","0.003","90","","1781.7","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N O3.5 -","- C19 H26 N O3.5 -","- C76 H104 N4 O14 -","4","2","","Ďuriš, Andrej; Wiesenganger, Tomáš; Moravčíková, Daniela; Baran, Peter; Kožíšek, Jozef; Daïch, Adam; Berkeš, Dušan","Expedient and practical synthesis of CERT-dependent ceramide trafficking inhibitor HPA-12 and its analogues.","Organic letters","2011","13","7","1642","1645","10.1021/ol2001057","","","0.71073","MoKα","","0.0574","0.04","","","0.0874","0.0931","","","","","","0.995","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502031","7.7687","0.0003","6.0916","0.0002","14.9497","0.0006","90","","98.117","0.004","90","","700.39","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H20 N O4 -","- C13 H20 N O4 -","- C26 H40 N2 O8 -","2","1","","Ďuriš, Andrej; Wiesenganger, Tomáš; Moravčíková, Daniela; Baran, Peter; Kožíšek, Jozef; Daïch, Adam; Berkeš, Dušan","Expedient and practical synthesis of CERT-dependent ceramide trafficking inhibitor HPA-12 and its analogues.","Organic letters","2011","13","7","1642","1645","10.1021/ol2001057","","","0.71073","MoKα","","0.0743","0.0693","","","0.206","0.2115","","","","","","1.12","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502032","9.3686","0.0014","12.1651","0.0018","12.2768","0.0018","65.465","0.002","81.937","0.002","81.928","0.002","1255","0.3","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H31 B -","- C32 H31 B -","- C64 H62 B2 -","2","1","","Sun, Christina; Lu, Jiasheng; Wang, Suning","Donor-acceptor assisted alkyne hydration: a luminescent boron-stabilized enol.","Organic letters","2011","13","5","1226","1229","10.1021/ol200106a","","","0.71073","MoKα","","0.0629","0.0462","","","0.1217","0.1352","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502033","8.148","0.012","23.74","0.03","12.404","0.018","90","","92.161","0.016","90","","2398","6","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 B N -","- C31 H30 B N -","- C124 H120 B4 N4 -","4","1","","Sun, Christina; Lu, Jiasheng; Wang, Suning","Donor-acceptor assisted alkyne hydration: a luminescent boron-stabilized enol.","Organic letters","2011","13","5","1226","1229","10.1021/ol200106a","","","0.71073","MoKα","","0.2376","0.1279","","","0.3261","0.3848","","","","","","1.097","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502034","13.196","0.015","13.291","0.015","15.96","0.018","90","","98.526","0.013","90","","2768","5","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B N O -","- C31 H32 B N O -","- C124 H128 B4 N4 O4 -","4","1","","Sun, Christina; Lu, Jiasheng; Wang, Suning","Donor-acceptor assisted alkyne hydration: a luminescent boron-stabilized enol.","Organic letters","2011","13","5","1226","1229","10.1021/ol200106a","","","0.71073","MoKα","","0.2209","0.0982","","","0.2132","0.2674","","","","","","0.915","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502035","8.4225","0.0004","13.77","0.0007","11.5762","0.0005","90","","104.075","0.002","90","","1302.28","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Mulzer, Michael; Coates, Geoffrey W.","A catalytic route to ampakines and their derivatives.","Organic letters","2011","13","6","1426","1428","10.1021/ol200111a","","","0.71073","MoKα","","0.0523","0.0401","","","0.0962","0.1032","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502036","21.849","0.003","12.3571","0.0015","16.732","0.002","90","","100.169","0.002","90","","4446.5","1","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C192 H152 N24 O16 -","8","1","","Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah","Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.","Organic letters","2011","13","7","1658","1661","10.1021/ol200117b","","x-ray","0.71073","MoKα","","0.0892","0.0596","","","0.1889","0.2014","","","","","","1.132","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502037","14.9549","0.0018","17.96","0.002","14.706","0.0017","90","","116.038","0.002","90","","3549","0.7","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C184 H160 N16 O16 -","8","2","","Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah","Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.","Organic letters","2011","13","7","1658","1661","10.1021/ol200117b","","x-ray","0.71073","MoKα","","0.1261","0.0603","","","0.1598","0.1928","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502038","15.6502","0.0011","13.1606","0.001","37.823","0.003","90","","90","","90","","7790.3","1","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C384 H352 N32 O48 -","16","2","","Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah","Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.","Organic letters","2011","13","7","1658","1661","10.1021/ol200117b","","x-ray","0.71073","MoKα","","0.1569","0.0718","","","0.1987","0.2572","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502039","11.5671","0.0011","8.642","0.0008","21.537","0.002","90","","101.217","0.002","90","","2111.8","0.3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","","Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah","Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.","Organic letters","2011","13","7","1658","1661","10.1021/ol200117b","","x-ray","0.71073","MoKα","","0.088","0.0611","","","0.1944","0.2151","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502040","11.998","0.001","6.7769","0.0006","11.9999","0.001","90","","93.718","0.001","90","","973.65","0.14","297","2","297","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H19 I N2 O2 -","- C23 H19 I N2 O2 -","- C46 H38 I2 N4 O4 -","2","0.5","","Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah","Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.","Organic letters","2011","13","7","1658","1661","10.1021/ol200117b","","x-ray","0.71073","MoKα","","0.0394","0.0346","","","0.0967","0.1004","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502041","5.7147","0.0013","11.254","0.002","14.617","0.003","109.34","0.01","93.58","0.011","101.96","0.012","859","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Br O S -","- C19 H21 Br O S -","- C38 H42 Br2 O2 S2 -","2","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0485","0.043","","","0.0828","0.0854","","","","","","1.105","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502042","5.8183","0.0009","11.251","0.0015","14.411","0.002","72.27","0.007","82.26","0.008","76.86","0.007","872.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Br O S -","- C19 H21 Br O S -","- C38 H42 Br2 O2 S2 -","2","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0517","0.0463","","","0.0967","0.0994","","","","","","1.114","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502043","12.116","0.002","6.5574","0.0013","17.062","0.003","90","","104.09","0.03","90","","1314.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O2 S -","- C14 H20 O2 S -","- C56 H80 O8 S4 -","4","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0683","0.0614","","","0.1709","0.184","","","","","","1.23","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502044","25.707","0.005","51.276","0.01","5.6218","0.0011","90","","90","","90","","7410","3","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C320 H416 O48 S16 -","16","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0648","0.0586","","","0.1345","0.1392","","","","","","1.082","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1502045","7.879","0.0016","20.374","0.004","11.622","0.002","90","","98.79","0.03","90","","1843.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C80 H104 O12 S4 -","4","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0894","0.079","","","0.1657","0.172","","","","","","1.169","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1502046","23.497","0.005","52.752","0.011","5.7732","0.0012","90","","90","","90","","7156","3","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C320 H416 O48 S16 -","16","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0737","0.0679","","","0.1658","0.1705","","","","","","1.168","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502047","9.486","0.009","26.43","0.02","20.531","0.019","90","","102.677","0.012","90","","5022","8","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 B F S -","- C30 H34 B F S -","- C240 H272 B8 F8 S8 -","8","2","","Zhao, Haiyan; Gabbaï, François P","Nucleophilic fluorination reactions starting from aqueous fluoride ion solutions.","Organic letters","2011","13","6","1444","1446","10.1021/ol200129q","","","0.71073","MoKα","","0.1286","0.0731","","","0.1878","0.2132","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502048","3.79021","0.00012","12.8608","0.0004","13.5027","0.0004","94.054","0.002","92.358","0.002","91.872","0.002","655.57","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H10 N2 -","- C20 H10 N2 -","- C40 H20 N4 -","2","1","","Katsuta, Shuhei; Miyagi, Daichi; Yamada, Hiroko; Okujima, Tetsuo; Mori, Shigeki; Nakayama, Ken-ichi; Uno, Hidemitsu","Synthesis, properties, and ambipolar organic field-effect transistor performances of symmetrically cyanated pentacene and naphthacene as air-stable acene derivatives.","Organic letters","2011","13","6","1454","1457","10.1021/ol200145r","","","1.54187","CuKα","","0.1141","0.0677","","","0.1502","0.1776","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502049","5.1827","0.0001","8.0456","0.0002","20.4481","0.0005","90","","90","","90","","852.64","0.03","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 N2 O3 -","- C8 H10 N2 O3 -","- C32 H40 N8 O12 -","4","1","","Hovey, M. Todd; Eklund, Emily J.; Pike, Robert D.; Mainkar, Anshul A.; Scheerer, Jonathan R.","Synthesis of (±)-acetylnorloline via stereoselective tethered aminohydroxylation.","Organic letters","2011","13","5","1246","1249","10.1021/ol200155p","","","1.54178","CuKα","","0.0383","0.0319","","","0.0794","0.0833","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502050","21.3138","0.0006","9.4146","0.0003","13.7762","0.0004","90","","97.58","0.001","90","","2740.19","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 N2 O12 S2 -","- C23 H32 N2 O12 S2 -","- C92 H128 N8 O48 S8 -","4","1","","Hovey, M. Todd; Eklund, Emily J.; Pike, Robert D.; Mainkar, Anshul A.; Scheerer, Jonathan R.","Synthesis of (±)-acetylnorloline via stereoselective tethered aminohydroxylation.","Organic letters","2011","13","5","1246","1249","10.1021/ol200155p","","","1.54178","CuKα","","0.0436","0.0389","","","0.0977","0.1011","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502051","7.7364","0.0015","13.139","0.003","24.286","0.005","90","","90","","90","","2468.6","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Br N2 O3 S3 -","- C22 H25 Br N2 O3 S3 -","- C88 H100 Br4 N8 O12 S12 -","4","1","","Liu, Xiaodong; Deng, Leijiao; Song, Hongjin; Jia, Huazhen; Wang, Rui","Asymmetric aza-Mannich addition: synthesis of modified chiral 2-(ethylthio)-thiazolone derivatives with anticancer potency.","Organic letters","2011","13","6","1494","1497","10.1021/ol200185h","","","0.71073","MoKα","","0.0645","0.0386","","","0.0737","0.0827","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502052","17.248","0.005","8.517","0.003","13.924","0.004","90","","101.35","0.006","90","","2005.5","1.1","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O6 -","- C23 H20 N O6 -","- C92 H80 N4 O24 -","4","1","","Jung, Hyo Sung; Ko, Kyoung Chul; Kim, Gun-Hee; Lee, Ah-Rah; Na, Yun-Cheol; Kang, Chulhun; Lee, Jin Yong; Kim, Jong Seung","Coumarin-based thiol chemosensor: synthesis, turn-on mechanism, and its biological application.","Organic letters","2011","13","6","1498","1501","10.1021/ol2001864","","","0.71073","MoKα","","0.1554","0.067","","","0.1658","0.1899","","","","","","0.876","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502053","16.1277","0.0006","18.8951","0.0006","20.979","0.0015","90","","90","","90","","6393","0.6","123.1","","123.1","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C70 H72 Br Li N2 O8.5 P2 Ru -","- C70 H68 Br Li N2 O8.5 P2 Ru -","- C280 H272 Br4 Li4 N8 O34 P8 Ru4 -","4","1","","Kurono, Nobuhito; Yoshikawa, Tatsuya; Yamasaki, Mikio; Ohkuma, Takeshi","Enantioselective hydrocyanation of aldehydes catalyzed by [Li{Ru(phgly)2(binap)}]X (X = Cl, Br).","Organic letters","2011","13","5","1254","1257","10.1021/ol200187d","","","0.71075","MoKα","","","0.0465","","","","0.1113","","","","","","1.003","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502054","12.528","0.001","12.7591","0.0009","16.6789","0.0013","90","","102.161","0.007","90","","2606.2","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5,5',5'-tetrafluoro-1,1',3,3',7,7',9,9',10,10' -decamethyl-5H,5'H-[2,2'-bidipyrrolo[1,2-c:2',1'-f] [1,3,2]diazaborinine]-4,6'-diium-5,5'-diuide","","- C28 H32 B2 F4 N4 -","- C28 H32 B2 F4 N4 -","- C112 H128 B8 F16 N16 -","4","1","","Rihn, Sandra; Erdem, Mustafa; De Nicola, Antoinette; Retailleau, Pascal; Ziessel, Raymond","Phenyliodine(III) bis(trifluoroacetate) (PIFA)-promoted synthesis of Bodipy dimers displaying unusual redox properties.","Organic letters","2011","13","8","1916","1919","10.1021/ol200189y","","","1.54187","CuKα","","0.1436","0.0885","","","0.2291","0.2741","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502055","11.5971","0.0003","17.5177","0.0005","7.3754","0.0002","90","","102.439","0.003","90","","1463.17","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","","Brown, Michael J.; Clarkson, Guy J.; Inglis, Graham G.; Shipman, Michael","Synthesis and functionalization of 3-alkylidene-1,2-diazetidines using transition metal catalysis.","Organic letters","2011","13","7","1686","1689","10.1021/ol200193n","","","0.71073","MoKα","","0.0531","0.0405","","","0.1008","0.1047","","","","","","1.094","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502056","7.7254","0.0007","8.2025","0.0007","29.583","0.003","90","","96.638","0.003","90","","1862","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Zhang, Xiaobing; Fu, Chunling; Ma, Shengming","Highly stereoselective facile synthesis of 2-acetoxy-1,3(E)-alkadienes via a Rh(I)-catalyzed isomerization of 2,3-allenyl carboxylates.","Organic letters","2011","13","8","1920","1923","10.1021/ol200198z","","","0.71073","MoKα","","0.0694","0.0608","","","0.1451","0.15","","","","","","1.185","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502057","9.3516","0.0007","17.7586","0.0014","8.2539","0.0007","90","","92.802","0.005","90","","1369.1","0.19","143","1","143","1","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C10 H14 B F3 K N O2 S -","- C10 H14 B F3 K N O2 S -","- C40 H56 B4 F12 K4 N4 O8 S4 -","4","1","","Molander, Gary A.; Fleury-Brégeot, Nicolas; Hiebel, Marie-Aude","Synthesis and cross-coupling of sulfonamidomethyltrifluoroborates.","Organic letters","2011","13","7","1694","1697","10.1021/ol200202g","","","0.71073","MoKα","","0.0494","0.0425","","","0.1065","0.1154","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502058","5.4753","0.0011","22.659","0.005","13.406","0.003","90","","96.93","0.03","90","","1651.1","0.6","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","IB1","","","- C44 H44 N2 -","- C44 H44 N2 -","- C88 H88 N4 -","2","1","","Yin, Xiaodong; Li, Yongjun; Zhu, Yulan; Kan, Yuhe; Li, Yuliang; Zhu, Daoben","Synthesis of a pentalene centered polycyclic fused system.","Organic letters","2011","13","6","1520","1523","10.1021/ol200213h","","","0.71073","MoKα","","0.055","0.0503","","","0.1148","0.1188","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502059","9.248","0.0009","10.0534","0.001","13.1721","0.0013","73.028","0.004","89.186","0.004","81.101","0.004","1156.6","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N O6 -","- C25 H31 N O6 -","- C50 H62 N2 O12 -","2","1","","Stevens, Andrew C.; Palmer, Cory; Pagenkopf, Brian L.","The formal [4+3] cycloaddition between donor-acceptor cyclobutanes and nitrones.","Organic letters","2011","13","6","1528","1531","10.1021/ol200220d","","","0.71073","MoKα","","0.0971","0.0459","","","0.084","0.1001","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502060","12.4126","0.0006","8.9675","0.0005","21.4679","0.0011","90","","104.085","0.001","90","","2317.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cl N O6 -","- C25 H28 Cl N O6 -","- C100 H112 Cl4 N4 O24 -","4","1","","Stevens, Andrew C.; Palmer, Cory; Pagenkopf, Brian L.","The formal [4+3] cycloaddition between donor-acceptor cyclobutanes and nitrones.","Organic letters","2011","13","6","1528","1531","10.1021/ol200220d","","","0.71073","MoKα","","0.0698","0.0402","","","0.0911","0.1081","","","","","","1.011","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1502061","13.1053","0.0007","11.2478","0.0006","16.0248","0.0009","90","","96.924","0.002","90","","2344.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cl N O6 -","- C25 H28 Cl N O6 -","- C100 H112 Cl4 N4 O24 -","4","1","","Stevens, Andrew C.; Palmer, Cory; Pagenkopf, Brian L.","The formal [4+3] cycloaddition between donor-acceptor cyclobutanes and nitrones.","Organic letters","2011","13","6","1528","1531","10.1021/ol200220d","","","0.71073","MoKα","","0.068","0.04","","","0.0829","0.0962","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502062","12.4562","0.0007","14.7749","0.0009","15.534","0.001","96.833","0.005","108.722","0.005","109.903","0.005","2460.8","0.3","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","","","- C69 H54 -","- C69 H54 -","- C138 H108 -","2","1","","Kao, Min-Tzu; Chen, Jia-Hong; Chu, Ying-Ying; Tseng, Kuo-Pi; Hsu, Chia-Huei; Wong, Ken-Tsung; Chang, Che-Wei; Hsu, Chao-Ping; Liu, Yi-Hung","Facile synthesis of 5,10,15-hexaaryl truxenes: structure and properties.","Organic letters","2011","13","7","1714","1717","10.1021/ol200227w","","","1.54178","CuKα","","0.1942","0.1094","","","0.2036","0.2464","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502063","14.4957","0.0001","23.2552","0.0003","22.2461","0.0003","90","","92.018","0.001","90","","7494.52","0.15","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C101 H82 O12 -","- C101 H82 O12 -","- C404 H328 O48 -","4","1","","Kao, Min-Tzu; Chen, Jia-Hong; Chu, Ying-Ying; Tseng, Kuo-Pi; Hsu, Chia-Huei; Wong, Ken-Tsung; Chang, Che-Wei; Hsu, Chao-Ping; Liu, Yi-Hung","Facile synthesis of 5,10,15-hexaaryl truxenes: structure and properties.","Organic letters","2011","13","7","1714","1717","10.1021/ol200227w","","","1.54178","CuKα","","0.0738","0.0517","","","0.1394","0.1528","","","","","","1.044","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1502064","8.611","0.01","9.94","0.011","14.072","0.016","101.868","0.008","101.616","0.012","108.946","0.011","1067","2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 S -","- C27 H22 N2 S -","- C54 H44 N4 S2 -","2","1","","Murai, Toshiaki; Hori, Fumihiko; Maruyama, Toshifumi","Intramolecular cyclization of in situ generated adducts formed between thioamide dianions and thioformamides leading to generation of 5-amino-2-thiazolines and 5-aminothiazoles, and their fluorescence properties.","Organic letters","2011","13","7","1718","1721","10.1021/ol200231z","","","0.7107","MoKα","","0.1948","0.1063","","","0.1708","0.2083","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502065","7.3583","0.0001","20.2268","0.0004","28.3714","0.0005","90","","90","","90","","4222.65","0.13","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H20 N2 S -","- C27 H20 N2 S -","- C216 H160 N16 S8 -","8","1","","Murai, Toshiaki; Hori, Fumihiko; Maruyama, Toshifumi","Intramolecular cyclization of in situ generated adducts formed between thioamide dianions and thioformamides leading to generation of 5-amino-2-thiazolines and 5-aminothiazoles, and their fluorescence properties.","Organic letters","2011","13","7","1718","1721","10.1021/ol200231z","","","0.71075","MoKα","","","0.0667","","","","0.133","","","","","","1.189","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502066","15.4246","0.0003","5.5367","0.0001","20.8373","0.0004","90","","102.206","0.001","90","","1739.31","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N3 O6 S -","- C15 H17 N3 O6 S -","- C60 H68 N12 O24 S4 -","4","1","","Li, Chaoqun; Zhang, Liming","Gold-catalyzed nitrene transfer to activated alkynes: formation of α,β-unsaturated amidines.","Organic letters","2011","13","7","1738","1741","10.1021/ol2002607","","","1.54178","CuKα","","0.0742","0.0705","","","0.1828","0.1857","","","","","","1.332","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502067","10.8154","0.0003","10.8724","0.0004","15.4707","0.0005","90","","90","","90","","1819.19","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 N O4 S -","- C16 H29 N O4 S -","- C64 H116 N4 O16 S4 -","4","1","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.0304","0.0274","","","0.0718","0.074","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502068","5.6398","0.0005","15.691","0.0017","20.963","0.002","90","","90","","90","","1855.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O4 S -","- C17 H29 N O4 S -","- C68 H116 N4 O16 S4 -","4","1","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.0592","0.0353","","","0.0717","0.0817","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502069","7.2192","0.0005","11.2843","0.0008","17.5962","0.0016","104.861","0.004","91.043","0.004","106.942","0.003","1318.66","0.18","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H27 N O4 S -","- C16 H27 N O4 S -","- C48 H81 N3 O12 S3 -","3","3","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.0338","0.0294","","","0.073","0.0762","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502070","12.1844","0.0003","12.7928","0.0003","13.5732","0.0004","90","","90","","90","","2115.69","0.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 I N O2 S -","- C23 H20 I N O2 S -","- C92 H80 I4 N4 O8 S4 -","4","1","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.027","0.0239","","","0.0562","0.058","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502071","8.0511","0.0002","14.6698","0.0004","16.0269","0.0005","90","","90","","90","","1892.91","0.09","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O2 S -","- C21 H22 Br N O2 S -","- C84 H88 Br4 N4 O8 S4 -","4","1","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.0395","0.0299","","","0.0603","0.0628","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502072","14.10697","0.00016","20.6425","0.0002","8.61563","0.00007","90","","91.6541","0.0009","90","","2507.85","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 I N2 O5 S -","- C27 H23 I N2 O5 S -","- C108 H92 I4 N8 O20 S4 -","4","1","","Kramer, Søren; Friis, Stig D.; Xin, Zhuo; Odabachian, Yann; Skrydstrup, Troels","Metal-free halonium mediated acetate shifts of ynamides to access α-halo acrylamides/acrylimides.","Organic letters","2011","13","7","1750","1753","10.1021/ol200269h","","","0.71073","MoKα","","0.0361","0.0283","","","0.0965","0.1058","","","","","","0.839","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502073","12.71437","0.00013","9.95279","0.00011","19.7029","0.0002","90","","98.5892","0.001","90","","2465.31","0.05","100","0.2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Br N2 O5 S -","- C27 H23 Br N2 O5 S -","- C108 H92 Br4 N8 O20 S4 -","4","1","","Kramer, Søren; Friis, Stig D.; Xin, Zhuo; Odabachian, Yann; Skrydstrup, Troels","Metal-free halonium mediated acetate shifts of ynamides to access α-halo acrylamides/acrylimides.","Organic letters","2011","13","7","1750","1753","10.1021/ol200269h","","","0.71073","MoKα","","0.0656","0.0538","","","0.1942","0.2023","","","","","","1.531","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502074","12.6694","0.0002","9.812","0.0003","19.7705","0.0003","90","","97.0594","0.0015","90","","2439.08","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Cl N2 O5 S -","- C27 H23 Cl N2 O5 S -","- C108 H92 Cl4 N8 O20 S4 -","4","1","","Kramer, Søren; Friis, Stig D.; Xin, Zhuo; Odabachian, Yann; Skrydstrup, Troels","Metal-free halonium mediated acetate shifts of ynamides to access α-halo acrylamides/acrylimides.","Organic letters","2011","13","7","1750","1753","10.1021/ol200269h","","","0.71073","MoKα","","0.0518","0.0413","","","0.1403","0.1539","","","","","","1.139","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502075","7.5727","0.0008","22.554","0.002","7.842","0.0008","90","","112.26","0.01","90","","1239.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N2 O2 S2 -","- C12 H8 N2 O2 S2 -","- C48 H32 N8 O8 S8 -","4","1","","Hergué, Noémie; Mallet, Charlotte; Savitha, Gurunathan; Allain, Magali; Frère, Pierre; Roncali, Jean","Facile synthesis of 3-alkoxy-4-cyanothiophenes as new building blocks for donor-acceptor conjugated systems.","Organic letters","2011","13","7","1762","1765","10.1021/ol200296j","","x-ray","0.71073","MoKα","","","0.0402","","","","0.1117","","","","","","0.851","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502076","5.046","0.002","14.874","0.005","18.545","0.007","77.02","0.03","83.19","0.03","82.81","0.03","1339.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 N2 O2 S2 -","- C26 H36 N2 O2 S2 -","- C52 H72 N4 O4 S4 -","2","1","","Hergué, Noémie; Mallet, Charlotte; Savitha, Gurunathan; Allain, Magali; Frère, Pierre; Roncali, Jean","Facile synthesis of 3-alkoxy-4-cyanothiophenes as new building blocks for donor-acceptor conjugated systems.","Organic letters","2011","13","7","1762","1765","10.1021/ol200296j","","x-ray","0.71073","MoKα","","","0.0911","","","","0.246","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502077","5.5539","0.001","9.0119","0.0017","14.952","0.003","90","","98.46","0.004","90","","740.2","0.2","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","","Troyer, Timothy L.; Muchalski, Hubert; Hong, Ki Bum; Johnston, Jeffrey N.","Origins of selectivity in Brønsted acid-promoted diazoalkane-azomethine reactions (the aza-Darzens aziridine synthesis).","Organic letters","2011","13","7","1790","1792","10.1021/ol200313m","","","0.71073","MoKα","","0.0689","0.0508","","","0.1235","0.1354","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502078","7.0978","0.0008","22.731","0.002","11.178","0.002","90","","117.72","0.01","90","","1596.5","0.4","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 S -","- C18 H18 N2 O2 S -","- C72 H72 N8 O8 S4 -","4","1","","Pierre, Cathleen; Baudoin, Olivier","Synthesis of polycyclic molecules by double C(sp2)-H/C(sp3)-H arylations with a single palladium catalyst.","Organic letters","2011","13","7","1816","1819","10.1021/ol200329e","","","0.7107","MoKα","","0.1103","0.0919","","0.2037","0.1943","0.2037","","","","","","1.0167","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502079","23.8893","0.001","5.446","0.0002","19.6525","0.0007","90","","112.514","0.005","90","","2361.95","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9-[(E)-2-iodoethenyl]-9H-carbazole","","- C14 H10 I N -","- C14 H10 I N -","- C112 H80 I8 N8 -","8","1","","Pawluć, Piotr; Franczyk, Adrian; Walkowiak, Jędrzej; Hreczycho, Grzegorz; Kubicki, Maciej; Marciniec, Bogdan","(E)-9-(2-iodovinyl)-9H-carbazole: a new coupling reagent for the synthesis of π-conjugated carbazoles.","Organic letters","2011","13","8","1976","1979","10.1021/ol200350a","","","0.71073","MoKα","","0.04","0.0307","","","0.0772","0.0802","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502080","8.497","0.002","17.41","0.003","17.576","0.003","90.96","0.02","96.2","0.02","100.08","0.02","2543.3","0.9","100","1","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 N O Si -","- C32 H29 N O Si -","- C128 H116 N4 O4 Si4 -","4","2","","Pawluć, Piotr; Franczyk, Adrian; Walkowiak, Jędrzej; Hreczycho, Grzegorz; Kubicki, Maciej; Marciniec, Bogdan","(E)-9-(2-iodovinyl)-9H-carbazole: a new coupling reagent for the synthesis of π-conjugated carbazoles.","Organic letters","2011","13","8","1976","1979","10.1021/ol200350a","","","0.71073","MoKα","","0.196","0.0889","","","0.1833","0.2314","","","","","","0.971","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502081","13.5461","0.0007","5.6788","0.0003","16.1132","0.0008","90","","92.787","0.002","90","","1238.05","0.11","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 S2 -","- C12 H11 N O3 S2 -","- C48 H44 N4 O12 S8 -","4","1","","Dong, Yanmei; Bolduc, Andréanne; McGregor, Nicholas; Skene, W. G.","Push-pull aminobithiophenes–highly fluorescent stable fluorophores.","Organic letters","2011","13","7","1844","1847","10.1021/ol200353k","","","1.54178","CuKα","","0.0276","0.0262","","","0.0713","0.0724","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502082","10.065","0.003","5.1868","0.0014","18.275","0.005","90","","98.279","0.003","90","","944.1","0.5","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H16 Br F2 N O2 -","- C22 H16 Br F2 N O2 -","- C44 H32 Br2 F4 N2 O4 -","2","1","","Kashikura, Wataru; Mori, Keiji; Akiyama, Takahiko","Chiral phosphoric acid catalyzed enantioselective synthesis of β-amino-α,α-difluoro carbonyl compounds.","Organic letters","2011","13","7","1860","1863","10.1021/ol200374m","","","0.71073","MoKα","","0.0656","0.0464","","","0.0978","0.1053","","","","","","0.958","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502083","12.3469","0.0017","20.475","0.003","8.4258","0.0011","90","","90.67","0.004","90","","2129.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C104 H120 N8 O16 -","4","1","","Kulyk, Svitlana; Dougherty, Jr, William G; Kassel, W. Scott; Zdilla, Michael J.; Sieburth, Scott McN","Intramolecular pyridone/enyne photocycloaddition: partitioning of the [4 + 4] and [2 + 2] pathways.","Organic letters","2011","13","9","2180","2183","10.1021/ol200390j","","","0.71073","MoKα","","0.0788","0.0583","","","0.1633","0.1729","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502084","11.542","0.002","12.157","0.003","15.623","0.003","90","","90","","90","","2192.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Kulyk, Svitlana; Dougherty, Jr, William G; Kassel, W. Scott; Zdilla, Michael J.; Sieburth, Scott McN","Intramolecular pyridone/enyne photocycloaddition: partitioning of the [4 + 4] and [2 + 2] pathways.","Organic letters","2011","13","9","2180","2183","10.1021/ol200390j","","","0.71073","MoKα","","0.085","0.055","","","0.1507","0.1688","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502085","11.217","0.003","10.848","0.003","18.81","0.005","90","","100.54","0.006","90","","2250.2","1.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Kulyk, Svitlana; Dougherty, Jr, William G; Kassel, W. Scott; Zdilla, Michael J.; Sieburth, Scott McN","Intramolecular pyridone/enyne photocycloaddition: partitioning of the [4 + 4] and [2 + 2] pathways.","Organic letters","2011","13","9","2180","2183","10.1021/ol200390j","","","0.71073","MoKα","","0.0667","0.0405","","","0.0853","0.0955","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502086","19.6684","0.0017","6.0152","0.0005","26.14","0.002","90","","90","","90","","3092.6","0.4","143","2","143","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H26 O -","- C18 H26 O -","- C144 H208 O8 -","8","1","","Rendina, Victor L.; Moebius, David C.; Kingsbury, Jason S.","An enantioselective synthesis of 2-aryl cycloalkanones by Sc-catalyzed carbon insertion.","Organic letters","2011","13","8","2004","2007","10.1021/ol200402m","","","0.71073","MoKα","","0.0694","0.0525","","","0.1434","0.1573","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502087","8.4054","0.001","6.9528","0.0008","31.194","0.004","90","","92.883","0.004","90","","1820.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Rendina, Victor L.; Moebius, David C.; Kingsbury, Jason S.","An enantioselective synthesis of 2-aryl cycloalkanones by Sc-catalyzed carbon insertion.","Organic letters","2011","13","8","2004","2007","10.1021/ol200402m","","","1.54178","CuKα","","0.0432","0.0426","","","0.1054","0.1057","","","","","","1.054","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1502088","5.8014","0.0003","8.9652","0.0004","26.0067","0.001","90","","90","","90","","1352.63","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-phenylpropan-1-one","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Rohr, Kerstin; Mahrwald, Rainer","Stereoselective direct amine-catalyzed decarboxylative aldol addition.","Organic letters","2011","13","7","1878","1880","10.1021/ol200412r","","","0.71073","MoKα","","0.0493","0.0413","","","0.1085","0.12","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502089","6.224","0.003","17.136","0.007","49.434","0.019","90","","90","","90","","5272","4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O4 S -","- C16 H18 Br N O4 S -","- C192 H216 Br12 N12 O48 S12 -","12","3","","Terada, Masahiro; Ando, Kenichi","Enantioselective direct vinylogous Michael addition of functionalized furanones to nitroalkenes catalyzed by an axially chiral guanidine base.","Organic letters","2011","13","8","2026","2029","10.1021/ol200415u","","","0.71073","MoKα","","0.0861","0.0698","","","0.1491","0.1569","","","","","","1.146","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502090","8.2616","0.0008","18.2223","0.0016","34.406","0.004","90","","90","","90","","5179.7","0.9","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","1-tosyl-6-(4-(trifluoromethyl)phenyl)-8-(trimethylsilyl)-1,2,3,4-tetrahydro-1,7-naphthyridine","","- C25 H27 F3 N2 O2 S Si -","- C25 H27 F3 N2 O2 S Si -","- C200 H216 F24 N16 O16 S8 Si8 -","8","1","","Garcia, Pierre; Evanno, Yannick; George, Pascal; Sevrin, Mireille; Ricci, Gino; Malacria, Max; Aubert, Corinne; Gandon, Vincent","Regioselective cobalt-catalyzed formation of bicyclic 3- and 4-aminopyridines.","Organic letters","2011","13","8","2030","2033","10.1021/ol200417p","","","0.71073","MoKα","","0.0738","0.0626","","","0.1628","0.1761","","","","","","1.085","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1502091","8.3963","0.0004","11.4021","0.0005","26.4261","0.0012","90","","90","","90","","2529.9","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N O4 -","- C30 H33 N O4 -","- C120 H132 N4 O16 -","4","1","","Anwar, Shaik; Chang, Hui-Ju; Chen, Kwunmin","Organocatalytic synthesis of multiple substituted bicyclo[4.4.0]decalin system.","Organic letters","2011","13","9","2200","2203","10.1021/ol200424x","","","0.71073","MoKα","","0.0682","0.0459","","","0.1055","0.1231","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502092","8.39","0.005","22.555","0.015","23.123","0.017","90","","90","","90","","4376","5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H50 Cl2 N4 O12 -","- C47 H50 Cl2 N4 O12 -","- C188 H200 Cl8 N16 O48 -","4","1","","Anwar, Shaik; Chang, Hui-Ju; Chen, Kwunmin","Organocatalytic synthesis of multiple substituted bicyclo[4.4.0]decalin system.","Organic letters","2011","13","9","2200","2203","10.1021/ol200424x","","","0.71073","MoKα","","0.2795","0.0986","","","0.1819","0.2462","","","","","","0.971","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502093","8.1184","0.0005","10.0564","0.0006","10.6131","0.0006","102.882","0.002","95.326","0.002","100.637","0.002","821.99","0.09","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C40 H46 N2 O4 -","2","1","","Zhang, Line; Ang, Gim Yean; Chiba, Shunsuke","Copper-catalyzed benzylic C-H oxygenation under an oxygen atmosphere via N-H imines as an intramolecular directing group.","Organic letters","2011","13","7","1622","1625","10.1021/ol200425c","","","0.71073","MoKα","","0.0499","0.041","","","0.1183","0.13","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502094","9.3002","0.0004","12.6601","0.0005","18.6031","0.0009","90","","92.463","0.002","90","","2188.33","0.17","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N O2 S -","- C28 H25 N O2 S -","- C112 H100 N4 O8 S4 -","4","1","","Zhang, Line; Ang, Gim Yean; Chiba, Shunsuke","Copper-catalyzed benzylic C-H oxygenation under an oxygen atmosphere via N-H imines as an intramolecular directing group.","Organic letters","2011","13","7","1622","1625","10.1021/ol200425c","","","0.71073","MoKα","","0.0949","0.0585","","","0.1609","0.1952","","","","","","1.082","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502095","9.5185","0.0003","10.7567","0.0004","16.0768","0.0005","90","","90","","90","","1646.07","0.1","93.1","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N2 O4 -","- C16 H24 N2 O4 -","- C64 H96 N8 O16 -","4","1","","Takita, Satoshi; Yokoshima, Satoshi; Fukuyama, Tohru","A practical synthesis of (-)-kainic acid.","Organic letters","2011","13","8","2068","2070","10.1021/ol200434a","","","1.54187","CuKα","","","0.0348","","","","0.0933","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502096","9.6153","0.0005","11.8618","0.0006","12.3299","0.0006","64.011","0.001","89.001","0.001","75.068","0.001","1213.99","0.11","125","2","125","2","","","","","","","","5","P -1","-P 1","2","2-(3-acetonitrilethiophene)AQ","","","- C28 H27 N O6 S -","- C28 H27 N O6 S -","- C56 H54 N2 O12 S2 -","2","1","","Kadarkaraisamy, Mariappan; Thammavongkeo, Soudsakhone; Basa, Prem N.; Caple, Gerald; Sykes, Andrew G.","Substitution of thiophene oligomers with macrocyclic end caps and the colorimetric detection of Hg(II).","Organic letters","2011","13","9","2364","2367","10.1021/ol200442k","","","0.71073","MoKα","","0.0628","0.0498","","","0.1132","0.122","","","","","","1.021","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1502097","8.2245","0.0004","17.4342","0.0009","18.3495","0.0009","90","","92.703","0.001","90","","2628.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CE-bithiophene-monomer","","","- C30 H28 O6 S2 -","- C30 H28 O6 S2 -","- C120 H112 O24 S8 -","4","1","","Kadarkaraisamy, Mariappan; Thammavongkeo, Soudsakhone; Basa, Prem N.; Caple, Gerald; Sykes, Andrew G.","Substitution of thiophene oligomers with macrocyclic end caps and the colorimetric detection of Hg(II).","Organic letters","2011","13","9","2364","2367","10.1021/ol200442k","","","0.71073","MoKα","","0.0567","0.0427","","","0.114","0.1242","","","","","","1.081","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502098","13.554","0.004","11.791","0.003","14.702","0.004","90","","110.179","0.004","90","","2205.4","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CE-Bithiophene-Dimer","","","- C52 H50 O12 S2 -","- C52 H50 O12 S2 -","- C104 H100 O24 S4 -","2","0.5","","Kadarkaraisamy, Mariappan; Thammavongkeo, Soudsakhone; Basa, Prem N.; Caple, Gerald; Sykes, Andrew G.","Substitution of thiophene oligomers with macrocyclic end caps and the colorimetric detection of Hg(II).","Organic letters","2011","13","9","2364","2367","10.1021/ol200442k","","","0.71073","MoKα","","0.0883","0.0526","","","0.1245","0.1427","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502099","20.8115","0.0018","17.7466","0.0015","8.0099","0.0007","90","","90","","90","","2958.3","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","CE-terthiophene","","","- C34 H30 O6 S3 -","- C34 H30 O6 S3 -","- C136 H120 O24 S12 -","4","1","","Kadarkaraisamy, Mariappan; Thammavongkeo, Soudsakhone; Basa, Prem N.; Caple, Gerald; Sykes, Andrew G.","Substitution of thiophene oligomers with macrocyclic end caps and the colorimetric detection of Hg(II).","Organic letters","2011","13","9","2364","2367","10.1021/ol200442k","","","0.71073","MoKα","","0.0591","0.0447","","","0.1028","0.1114","","","","","","1.051","","","","has coordinates,has disorder","301775","2025-08-18","14:01:16",""
"1502100","10.044","0.003","13.134","0.005","13.209","0.007","119.345","0.006","102.449","0.007","99.743","0.005","1403.7","1","125","2","125","2","","","","","","","","4","P -1","-P 1","2","2-(N-2-cyanoethylpyrrole)AQ","","","- C29 H30 N2 O6 -","- C29 H30 N2 O6 -","- C58 H60 N4 O12 -","2","1","","Kadarkaraisamy, Mariappan; Thammavongkeo, Soudsakhone; Basa, Prem N.; Caple, Gerald; Sykes, Andrew G.","Substitution of thiophene oligomers with macrocyclic end caps and the colorimetric detection of Hg(II).","Organic letters","2011","13","9","2364","2367","10.1021/ol200442k","","","0.71073","MoKα","","0.1513","0.0626","","","0.1207","0.141","","","","","","0.803","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502101","6.534","0.0003","8.6083","0.0004","13.4229","0.0006","88.568","0.002","78.057","0.002","70.267","0.002","694.45","0.06","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","1","","Hehn, Jörg P; Herdtweck, Eberhardt; Bach, Thorsten","A photocycloaddition/fragmentation approach toward the 3,12-dioxatricyclo[8.2.1.0(6,13)]tridecane skeleton of terpenoid natural products.","Organic letters","2011","13","7","1892","1895","10.1021/ol2004462","","","0.71073","MoKα","","0.0368","0.0358","","","0.0863","0.0872","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1502102","9.3811","0.0005","9.7531","0.0005","13.3506","0.0007","90","","100.17","0.002","90","","1202.32","0.11","123","1","123","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Hehn, Jörg P; Herdtweck, Eberhardt; Bach, Thorsten","A photocycloaddition/fragmentation approach toward the 3,12-dioxatricyclo[8.2.1.0(6,13)]tridecane skeleton of terpenoid natural products.","Organic letters","2011","13","7","1892","1895","10.1021/ol2004462","","","0.71073","MoKα","","0.0366","0.0346","","","0.0878","0.0899","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502103","11.01","0.005","18.968","0.008","33.023","0.015","90","","90","","90","","6896","5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C67 H92 B4 N2 O15 -","- C67 H92 B4 N2 O15 -","- C268 H368 B16 N8 O60 -","4","1","","Teraoka, Takuro; Hiroto, Satoru; Shinokubo, Hiroshi","Iridium-catalyzed direct tetraborylation of perylene bisimides.","Organic letters","2011","13","10","2532","2535","10.1021/ol2004534","","","0.71073","MoKα","","0.2252","0.0918","","","0.224","0.3186","","","","","","0.934","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502104","10.7654","0.0002","19.089","0.0003","23.5235","0.0003","90","","90","","90","","4834.1","0.13","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25.5 H29.5 N1.5 O3.5 P -","- C25.5 H29.5 N1.5 O3.5 P -","- C204 H236 N12 O28 P8 -","8","2","","Ingle, Gajendrasingh K.; Liang, Yuxue; Mormino, Michael G.; Li, Guilong; Fronczek, Frank R.; Antilla, Jon C.","Chiral magnesium BINOL phosphate-catalyzed phosphination of imines: access to enantioenriched α-amino phosphine oxides.","Organic letters","2011","13","8","2054","2057","10.1021/ol200456y","","","1.54178","CuKα","","0.03","0.028","","","0.068","0.07","","","","","","1.03","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502105","35.653","0.0008","6.9183","0.0002","14.1033","0.0004","90","","112.256","0.0012","90","","3219.52","0.15","150","","150","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C136 H144 N16 O40 -","8","1","","Donohoe, Timothy J.; Connolly, Matthew J.; Rathi, Akshat H.; Walton, Lesley","Intramolecular hydride addition to pyridinium salts: new routes to enantiopure dihydropyridones.","Organic letters","2011","13","8","2074","2077","10.1021/ol200478p","","","0.71073","MoKα","","0.0568","0.0406","","0.0969","0.0891","0.0969","","","","","","0.9509","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502106","23.457","0.003","23.757","0.005","26.589","0.005","89.981","0.016","70.807","0.01","81.113","0.015","13805","4","128","2","128","2","","","","","","","","3","P -1","-P 1","2","","","","- C93 H81 O6 -","- C93 H80.5 O6 -","- C744 H644 O48 -","8","4","","Venkataramana, Gandikota; Dongare, Prateek; Dawe, Louise N.; Thompson, David W.; Zhao, Yuming; Bodwell, Graham J.","1,8-Pyrenylene-ethynylene macrocycles.","Organic letters","2011","13","9","2240","2243","10.1021/ol200485x","","","0.71075","MoKα","","0.226","0.1321","","","0.3022","0.3531","","","","","","1.38","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502107","13.5","0.003","15.178","0.003","11.351","0.002","90","","90","","90","","2325.9","0.8","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C104 H128 O32 -","8","1","","Egan, Ben A.; Paradowski, Michael; Thomas, Lynne H.; Marquez, Rodolfo","Regiocontrolled rearrangement of isobenzofurans.","Organic letters","2011","13","8","2086","2089","10.1021/ol200498k","","","0.71073","MoKα","","0.0581","0.0373","","","","0.0924","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502108","8.8027","0.0002","9.9264","0.0002","13.7092","0.0003","90","","90","","90","","1197.9","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","","Egan, Ben A.; Paradowski, Michael; Thomas, Lynne H.; Marquez, Rodolfo","Regiocontrolled rearrangement of isobenzofurans.","Organic letters","2011","13","8","2086","2089","10.1021/ol200498k","","","0.71073","MoKα","","0.0258","0.0245","","","","0.0632","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502109","8.0746","0.0001","10.5381","0.0001","19.0147","0.0003","90","","98","0.001","90","","1602.23","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Egan, Ben A.; Paradowski, Michael; Thomas, Lynne H.; Marquez, Rodolfo","Regiocontrolled rearrangement of isobenzofurans.","Organic letters","2011","13","8","2086","2089","10.1021/ol200498k","","","0.71073","MoKα","","0.0761","0.0461","","","0.1074","0.1261","","","","","","0.923","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502110","10.7398","0.0003","8.2057","0.0002","25.488","0.0009","90","","90","","90","","2246.2","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O5 Si -","- C22 H31 N O5 Si -","- C88 H124 N4 O20 Si4 -","4","1","","Egan, Ben A.; Paradowski, Michael; Thomas, Lynne H.; Marquez, Rodolfo","Regiocontrolled rearrangement of isobenzofurans.","Organic letters","2011","13","8","2086","2089","10.1021/ol200498k","","","1.54184","CuKα","","0.0534","0.0391","","","0.0854","0.0919","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502111","12.146","0.0016","12.8011","0.0015","18.387","0.003","90","","90","","90","","2858.9","0.7","220","2","220","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C120 H208 O16 -","8","2","","Ushakov, Dmitry B.; Navickas, Vaidotas; Ströbele, Markus; Maichle-Mössmer, Cäcilia; Sasse, Florenz; Maier, Martin E.","Total synthesis and biological evaluation of (-)-9-deoxy-englerin A.","Organic letters","2011","13","8","2090","2093","10.1021/ol200499t","","","0.71073","MoKα","","0.0433","0.03","","","0.0546","0.0567","","","","","","0.851","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502112","7.5572","0.0008","8.5747","0.0009","17.595","0.003","90","","90","","90","","1140.2","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","","Ushakov, Dmitry B.; Navickas, Vaidotas; Ströbele, Markus; Maichle-Mössmer, Cäcilia; Sasse, Florenz; Maier, Martin E.","Total synthesis and biological evaluation of (-)-9-deoxy-englerin A.","Organic letters","2011","13","8","2090","2093","10.1021/ol200499t","","","0.71073","MoKα","","0.0559","0.0504","","","0.1219","0.1251","","","","","","1.134","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502113","15.7827","0.0007","15.7827","0.0007","8.2365","0.0007","90","","90","","90","","2051.7","0.2","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C41 H52 O5 S4 -","- C41 H36 O5 S4 -","- C82 H72 O10 S8 -","2","0.125","","Morohashi, Naoya; Noji, Shintaro; Nakayama, Hiroko; Kudo, Yasutaka; Tanaka, Shinya; Kabuto, Chizuko; Hattori, Tetsutaro","Unique inclusion properties of crystalline powder p-tert-butylthiacalix[4]arene toward alcohols and carboxylic acids.","Organic letters","2011","13","13","3292","3295","10.1021/ol200506p","","","0.71073","MoKα","","0.1072","0.1021","","","0.2658","0.2874","","","","","","1.167","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502114","15.8115","0.0011","15.8115","0.0011","8.2875","0.0012","90","","90","","90","","2071.9","0.4","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C42 H54 O5 S4 -","- C42 H32 O5 S4 -","- C84 H64 O10 S8 -","2","0.125","","Morohashi, Naoya; Noji, Shintaro; Nakayama, Hiroko; Kudo, Yasutaka; Tanaka, Shinya; Kabuto, Chizuko; Hattori, Tetsutaro","Unique inclusion properties of crystalline powder p-tert-butylthiacalix[4]arene toward alcohols and carboxylic acids.","Organic letters","2011","13","13","3292","3295","10.1021/ol200506p","","","0.71073","MoKα","","0.1078","0.0975","","","0.2933","0.3189","","","","","","1.141","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502115","15.7986","0.0009","15.7986","0.0009","8.5474","0.001","90","","90","","90","","2133.4","0.3","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C43 H56 O5 S4 -","- C43.04 H32 O5 S4 -","- C86.08 H64 O10 S8 -","2","0.125","","Morohashi, Naoya; Noji, Shintaro; Nakayama, Hiroko; Kudo, Yasutaka; Tanaka, Shinya; Kabuto, Chizuko; Hattori, Tetsutaro","Unique inclusion properties of crystalline powder p-tert-butylthiacalix[4]arene toward alcohols and carboxylic acids.","Organic letters","2011","13","13","3292","3295","10.1021/ol200506p","","","0.71073","MoKα","","0.1298","0.1216","","","0.3761","0.4127","","","","","","2.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502116","15.8002","0.0007","15.8002","0.0007","8.3491","0.0007","90","","90","","90","","2084.3","0.2","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C42 H52 O6 S4 -","- C42 H36 O6 S4 -","- C84 H72 O12 S8 -","2","0.125","","Morohashi, Naoya; Noji, Shintaro; Nakayama, Hiroko; Kudo, Yasutaka; Tanaka, Shinya; Kabuto, Chizuko; Hattori, Tetsutaro","Unique inclusion properties of crystalline powder p-tert-butylthiacalix[4]arene toward alcohols and carboxylic acids.","Organic letters","2011","13","13","3292","3295","10.1021/ol200506p","","","0.71073","MoKα","","0.1124","0.105","","","0.3192","0.3539","","","","","","1.682","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502117","15.401","0.008","15.401","0.008","21.204","0.01","90","","90","","90","","5029","4","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C49 H66 O10 S4 -","- C49 H30 O10 S4 -","- C196 H120 O40 S16 -","4","0.125","","Morohashi, Naoya; Noji, Shintaro; Nakayama, Hiroko; Kudo, Yasutaka; Tanaka, Shinya; Kabuto, Chizuko; Hattori, Tetsutaro","Unique inclusion properties of crystalline powder p-tert-butylthiacalix[4]arene toward alcohols and carboxylic acids.","Organic letters","2011","13","13","3292","3295","10.1021/ol200506p","","","0.71073","MoKα","","0.1152","0.1094","","","0.2935","0.2993","","","","","","1.162","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502118","11.1147","0.0006","6.7725","0.0003","14.8896","0.0011","90","","108.29","0.004","90","","1064.18","0.11","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H25 N O S Si -","- C22 H25 N O S Si -","- C44 H50 N2 O2 S2 Si2 -","2","1","","Vyas, Devendra J.; Fröhlich, Roland; Oestreich, Martin","Activation of the Si-B linkage: copper-catalyzed addition of nucleophilic silicon to imines.","Organic letters","2011","13","8","2094","2097","10.1021/ol200509c","","","1.54178","CuKα","","0.0449","0.0412","","","0.0982","0.1016","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502119","13.2943","0.0007","7.4099","0.0004","27.6216","0.0014","90","","90","","90","","2721","0.2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N3 -","- C16 H17 N3 -","- C128 H136 N24 -","8","1","","Kumar, Rapolu Kiran; Ali, Md Ashif; Punniyamurthy, Tharmalingam","Pd-catalyzed C-H activation/C-N bond formation: a new route to 1-aryl-1H-benzotriazoles.","Organic letters","2011","13","8","2102","2105","10.1021/ol200523a","","","0.71073","MoKα","","0.0952","0.0497","","","0.1191","0.1369","","","","","","0.995","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502120","6.366","0.004","22.34","0.014","9.457","0.006","90","","96.44","0.01","90","","1336.5","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O2 Si2 -","- C30 H26 O2 Si2 -","- C60 H52 O4 Si4 -","2","0.5","","Rose, Bradley D.; Chase, Daniel T.; Weber, Christopher D.; Zakharov, Lev N.; Lonergan, Mark C.; Haley, Michael M.","Synthesis, crystal structures, and photophysical properties of electron-accepting diethynylindenofluorenediones.","Organic letters","2011","13","8","2106","2109","10.1021/ol200525g","","","0.71073","MoKα","","0.1309","0.0764","","","0.1628","0.1876","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502121","7.419","0.003","7.535","0.003","16.904","0.006","87.087","0.006","82.826","0.006","79.38","0.006","921.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H50 O2 Si2 -","- C42 H50 O2 Si2 -","- C42 H50 O2 Si2 -","1","0.5","","Rose, Bradley D.; Chase, Daniel T.; Weber, Christopher D.; Zakharov, Lev N.; Lonergan, Mark C.; Haley, Michael M.","Synthesis, crystal structures, and photophysical properties of electron-accepting diethynylindenofluorenediones.","Organic letters","2011","13","8","2106","2109","10.1021/ol200525g","","","0.71073","MoKα","","0.0744","0.0553","","","0.1412","0.1587","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502122","9.047","0.0011","10.1467","0.0012","13.3148","0.0016","79.768","0.002","78.065","0.002","69.549","0.002","1113","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H38 O2 Si2 -","- C60 H38 O2 Si2 -","- C60 H38 O2 Si2 -","1","0.5","","Rose, Bradley D.; Chase, Daniel T.; Weber, Christopher D.; Zakharov, Lev N.; Lonergan, Mark C.; Haley, Michael M.","Synthesis, crystal structures, and photophysical properties of electron-accepting diethynylindenofluorenediones.","Organic letters","2011","13","8","2106","2109","10.1021/ol200525g","","","0.71073","MoKα","","0.0597","0.0469","","","0.1188","0.1301","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502123","10.5159","0.0007","12.1257","0.0008","12.5652","0.0008","86.115","0.001","75.775","0.001","74.108","0.001","1493.73","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H26 Cl2 N O6 P -","- C33 H26 Cl2 N O6 P -","- C66 H52 Cl4 N2 O12 P2 -","2","1","","Deng, Jie-Cheng; Chuang, Shih-Ching","Three-component and nonclassical reaction of phosphines with enynes and aldehydes: formation of γ-lactones featuring α-phosphorus ylides.","Organic letters","2011","13","9","2248","2251","10.1021/ol200527t","","","0.71073","MoKα","","0.053","0.0438","","","0.1111","0.1194","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502124","14.2399","0.0015","8.1577","0.0009","15.2401","0.0016","90","","94.049","0.005","90","","1765.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C92 H68 N12 -","4","1","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.1114","0.0625","","","0.1716","0.1937","","","","","","1.079","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502125","7.531","0.0009","13.2092","0.0014","25.014","0.003","91.805","0.005","91.456","0.005","95.53","0.005","2474.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 I N3 O2 -","- C29 H22 I N3 O2 -","- C116 H88 I4 N12 O8 -","4","2","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.1498","0.0593","","","0.1034","0.1198","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502126","17.8364","0.0019","13.0324","0.0014","21.83","0.003","90","","99.141","0.005","90","","5010","1","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H44 I2 N6 O4 -","- C58 H44 I2 N6 O4 -","- C232 H176 I8 N24 O16 -","4","1","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.1673","0.0713","","","0.1437","0.1663","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502127","11.1705","0.0012","25.888","0.003","9.2658","0.001","90","","95.121","0.005","90","","2668.8","0.5","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 I2 N3 O2 -","- C29 H21 I2 N3 O2 -","- C116 H84 I8 N12 O8 -","4","1","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.094","0.0516","","","0.1078","0.1205","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502128","25.06","0.003","8.2435","0.0009","23.26","0.003","90","","91.409","0.005","90","","4803.6","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N3 O2.5 -","- C29 H24 N3 O2.5 -","- C232 H192 N24 O20 -","8","2","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.1903","0.0678","","","0.1355","0.163","","","","","","0.939","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502129","13.4654","0.0014","14.177","0.0015","18.8934","0.0019","72.059","0.005","73.5","0.005","64.793","0.005","3055.3","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H69 Cl4 N11 O5 Zn2 -","- C46 H34 Cl4 N6 Zn2 -","- C92 H68 Cl8 N12 Zn4 -","2","1","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.1129","0.0716","","","0.1905","0.2067","","","","","","0.941","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502130","30.119","0.004","20.405","0.003","16.284","0.0017","90","","100.895","0.005","90","","9827","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H68 Cu4 N20 O28 -","- C92 H68 Cu4 N20 O28 -","- C368 H272 Cu16 N80 O112 -","4","0.5","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.0984","0.088","","","0.2543","0.2662","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502131","8.4451","0.0003","10.5706","0.0004","11.3837","0.0006","73.5179","0.0016","74.6237","0.0014","73.8917","0.001","916.83","0.07","173.1","","173.1","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 Cl Ir N O -","- C21 H23 Cl Ir N O -","- C42 H46 Cl2 Ir2 N2 O2 -","2","1","","Fujita, Ken-ichi; Yoshida, Tetsuya; Imori, Yoichiro; Yamaguchi, Ryohei","Dehydrogenative oxidation of primary and secondary alcohols catalyzed by a Cp*Ir complex having a functional C,N-chelate ligand.","Organic letters","2011","13","9","2278","2281","10.1021/ol2005424","","","0.71075","MoKα","","","0.0235","","","","0.0325","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502132","5.0939","0.0004","11.4983","0.001","12.4598","0.0011","113.914","0.001","99.967","0.002","95.827","0.002","645.01","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C26 H28 N4 O8 -","2","1","","Singh, Anand; Roth, Gregory P.","A [3+2] dipolar cycloaddition route to 3-hydroxy-3-alkyl oxindoles: an approach to pyrrolidinoindoline alkaloids.","Organic letters","2011","13","8","2118","2121","10.1021/ol200547m","","","0.71073","MoKα","","0.0394","0.0359","","","0.0937","0.0967","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502133","10.774","0.0006","14.2273","0.0008","19.8345","0.0011","90","","90","","90","","3040.3","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 Br N2 O7 -","- C32 H29 Br N2 O7 -","- C128 H116 Br4 N8 O28 -","4","1","","Duan, Shu-Wen; An, Jing; Chen, Jia-Rong; Xiao, Wen-Jing","Facile synthesis of enantioenriched Cγ-tetrasubstituted α-amino acid derivatives via an asymmetric nucleophilic addition/protonation cascade.","Organic letters","2011","13","9","2290","2293","10.1021/ol200550y","","","0.71073","MoKα","","0.0752","0.0438","","","0.1119","0.126","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502134","9.705","0.004","23.07","0.009","10.283","0.004","90","","113.342","0.004","90","","2113.9","1.5","173.1","","173.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Chloro[6,10-dimethyl-15b-phosphanaphtho [1,8-ab]perylene-kappaP15b] gold(I)","","","- C28 H19 Au Cl P -","- C28 H19 Au Cl P -","- C112 H76 Au4 Cl4 P4 -","4","1","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","","","0.7107","MoKα","","0.0471","0.0341","","","","0.0711","","","","","","0.997","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502135","8.854","0.003","17.03","0.005","12.111","0.004","90","","96.124","0.005","90","","1815.7","1","173.1","","173.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","15b-(thiophospha)naphtho[1,8-ab]perylene","","","- C26 H15 P S -","- C26 H15 P S -","- C104 H60 P4 S4 -","4","1","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","","","0.7107","MoKα","","0.0836","0.0478","","","","0.0979","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502136","9.4741","0.0017","12.37","0.003","17.179","0.004","90","","90","","90","","2013.3","0.8","173.1","","173.1","","","","","","","","","4","P n a 21","P 2c -2n","33","6,10-dimethyl-15b-(thiophospha)naphtho[1,8-ab]perylene","","","- C28 H19 P S -","- C28 H19 P S -","- C112 H76 P4 S4 -","4","1","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","","","0.7107","MoKα","","0.0252","0.0233","","","","0.055","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502137","8.1709","0.0008","11.9296","0.0008","20.3704","0.0018","90.222","0.003","93.98","0.005","91.528","0.008","1980.1","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","15b-thiophospha-3,4,12,13-tetrahydroacenaphtho[5,6-ab]cyclopenta[lm]perylene","","","- C30 H19 P S -","- C30 H19 P S -","- C120 H76 P4 S4 -","4","2","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","","","0.71075","MoKα","","0.1658","0.0937","","","0.201","0.2419","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502138","7.2044","0.0015","20.622","0.004","13.225","0.003","90","","102.745","0.003","90","","1916.4","0.7","173.1","","173.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6,10-dimethyl-15b-(oxophospha)naphtho[1,8-ab]perylene","","","- C28 H19 O P -","- C28 H19 O P -","- C112 H76 O4 P4 -","4","1","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","","","0.7107","MoKα","","0.0559","0.0473","","","","0.1429","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502139","11.8709","0.0017","18.0107","0.0017","9.9332","0.0015","90","","117.349","0.0087","90","","1886.4","0.5","80","","80","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","6,10-dimethyl-15b-phosphanaphtho[1,8-ab]perylene","","","- C28 H19 P -","- C28 H19 P -","- C112 H76 P4 -","4","1","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","powder diffraction","","1.3","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502140","8.8401","0.0013","13.1944","0.0019","15.906","0.002","95.193","0.007","98.155","0.007","96.746","0.007","1812.9","0.4","143","1","143","1","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","2","","Cheng, Kevin; Carroll, Patrick J.; Walsh, Patrick J.","Diasteroselective preparation of cyclopropanols using methylene bis(iodozinc).","Organic letters","2011","13","9","2346","2349","10.1021/ol200597h","","","0.71073","MoKα","","0.0526","0.042","","","0.0993","0.1047","","","","","","1.058","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502141","23.306","0.007","5.8518","0.0019","17.515","0.006","90","","91.215","0.005","90","","2388.2","1.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H26 Br N O2 -","- C28 H26 Br N O2 -","- C112 H104 Br4 N4 O8 -","4","1","","Cao, Ziping; Liu, Yilin; Liu, Zhaoqun; Feng, Xiangqing; Zhuang, Minyang; Du, Haifeng","Pd-catalyzed asymmetric allylic alkylation of indoles and pyrroles by chiral alkene-phosphine ligands.","Organic letters","2011","13","9","2164","2167","10.1021/ol200602x","","","0.71073","MoKα","","0.0465","0.0411","","","0.0973","0.1078","","","","","","1.193","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502142","9.7809","0.0004","15.4141","0.0006","13.4965","0.0005","90","","97.714","0.001","90","","2016.37","0.14","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Br N2 Rh -","- C21 H30 Br N2 Rh -","- C84 H120 Br4 N8 Rh4 -","4","1","","Kim, Hyun Jin; Kim, Min; Chang, Sukbok","Rhodium(NHC)-catalyzed O-arylation of aryl bromides.","Organic letters","2011","13","9","2368","2371","10.1021/ol200603c","","","0.71073","MoKα","","0.0958","0.05","","","0.1108","0.1846","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502143","9.6818","0.0004","14.3637","0.0005","15.1077","0.0006","90","","90","","90","","2100.97","0.14","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Bentley, Scott A.; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Conjugate addition of lithium N-phenyl-N-(α-methylbenzyl)amide: application to the asymmetric synthesis of (R)-(-)-angustureine.","Organic letters","2011","13","10","2544","2547","10.1021/ol200625h","","","0.71073","MoKα","","0.0399","0.0362","","0.0904","0.0883","0.0904","","","","","","1.0132","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502144","5.997","0.006","19.04","0.019","14.366","0.015","90","","90.985","0.013","90","","1640","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Ren, Hui; Luo, Yong; Ye, Shengqing; Wu, Jie","Silver triflate catalyzed reaction of 2-alkynylbenzaldoxime with aryne.","Organic letters","2011","13","10","2552","2555","10.1021/ol200629y","","","0.71073","MoKα","","0.0601","0.0547","","","0.1426","0.1457","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502145","8.42633","0.00015","25.5835","0.0005","27.259","0.0005","80.7938","0.0016","85.1722","0.0015","83.6729","0.0015","5752.06","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 O S3 -","- C21 H22 O S3 -","- C252 H264 O12 S36 -","12","6","","Nielsen, Christian B.; Fraser, Jamie M.; Schroeder, Bob C.; Du, Junping; White, Andrew J. P.; Zhang, Weimin; McCulloch, Iain","Benzotrithiophene‒a planar, electron-rich building block for organic semiconductors.","Organic letters","2011","13","9","2414","2417","10.1021/ol200643z","","","1.54184","CuKα","","0.1304","0.1193","","","0.2702","0.2744","","","","","","1.102","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502146","8.066","0.005","8.898","0.005","34.816","0.005","90","0.005","90","0.005","90","0.005","2499","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br N2 O8 -","- C24 H25 Br N2 O8 -","- C96 H100 Br4 N8 O32 -","4","1","","Cheng, Mou-Nuo; Wang, Hao; Gong, Liu-Zhu","Asymmetic organocatalytic 1,3-dipolar cycloaddition of azomethine ylide to methyl 2-(2-nitrophenyl)acrylate for the synthesis of diastereoisomers of spirotryprostatin A.","Organic letters","2011","13","9","2418","2421","10.1021/ol200652j","","","0.71073","MoKα","","0.092","0.0499","","","0.1274","0.132","","","","","","1.083","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502147","13.6059","0.0004","12.3268","0.0003","20.1794","0.0006","90","","105.299","0.002","90","","3264.5","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H17 F10 N3 -","- C40 H17 F10 N3 -","- C160 H68 F40 N12 -","4","1","","Anju, K. S.; Ramakrishnan, S.; Srinivasan, A.","meso-Aryl triphyrin(2.1.1).","Organic letters","2011","13","9","2498","2501","10.1021/ol200668a","","","0.71073","MoKα","","0.0994","0.0533","","","0.1546","0.1945","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502148","10.424","0.019","16.83","0.003","7.934","0.015","90","","94.025","0.019","90","","1388","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Qian, Bo; Xie, Pan; Xie, Yinjun; Huang, Hanmin","Iron-catalyzed direct alkenylation of 2-substituted azaarenes with N-sulfonyl aldimines via C-H bond activation.","Organic letters","2011","13","10","2580","2583","10.1021/ol200684b","","","0.71073","MoKα","","0.0895","0.0468","","","0.1035","0.1246","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502149","14.897","0.002","7.9148","0.0013","14.525","0.002","90","","90","","90","","1712.6","0.4","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H21 Br N2 O2 S -","- C15 H21 Br N2 O2 S -","- C60 H84 Br4 N8 O8 S4 -","4","1","","Zhou, Ling; Zhou, Jing; Tan, Chong Kiat; Chen, Jie; Yeung, Ying-Yeung","N-bromosuccinimide initiated one-pot synthesis of imidazoline.","Organic letters","2011","13","9","2448","2451","10.1021/ol2006902","","","0.71073","MoKα","","0.0763","0.0446","","","0.096","0.1067","","","","","","0.975","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502150","9.2012","0.0005","10.9019","0.0006","20.4358","0.0011","90","","101.081","0.001","90","","2011.71","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 O4 S -","- C22 H19 N3 O4 S -","- C88 H76 N12 O16 S4 -","4","1","","Zhou, Ling; Zhou, Jing; Tan, Chong Kiat; Chen, Jie; Yeung, Ying-Yeung","N-bromosuccinimide initiated one-pot synthesis of imidazoline.","Organic letters","2011","13","9","2448","2451","10.1021/ol2006902","","","0.71073","MoKα","","0.0459","0.0414","","","0.109","0.1126","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502151","14.8341","0.001","8.296","0.0006","15.3758","0.001","90","","109.739","0.001","90","","1781","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N2 O2 S -","- C19 H26 N2 O2 S -","- C76 H104 N8 O8 S4 -","4","1","","Zhou, Ling; Zhou, Jing; Tan, Chong Kiat; Chen, Jie; Yeung, Ying-Yeung","N-bromosuccinimide initiated one-pot synthesis of imidazoline.","Organic letters","2011","13","9","2448","2451","10.1021/ol2006902","","","0.71073","MoKα","","0.04","0.0377","","","0.1026","0.1045","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502152","8.1392","0.001","9.2199","0.0011","10.1987","0.0012","101.018","0.001","99.441","0.001","93.082","0.001","738.19","0.15","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H19 N3 O2 S -","- C14 H19 N3 O2 S -","- C28 H38 N6 O4 S2 -","2","1","","Meza-Aviña, Maria Elena; Patel, Mudita Kishor; Lee, Cylivia B.; Dietz, Thomas J.; Croatt, Mitchell P.","Selective formation of 1,5-substituted sulfonyl triazoles using acetylides and sulfonyl azides.","Organic letters","2011","13","12","2984","2987","10.1021/ol200696q","","","0.71073","MoKα","","0.044","0.0411","","","0.1115","0.1146","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502153","16.766","0.016","9.077","0.008","12.502","0.012","90","","107.494","0.01","90","","1815","3","103","","103","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H22 F3 N O3 S -","- C17 H22 F3 N O3 S -","- C68 H88 F12 N4 O12 S4 -","4","1","","Yoshida, Akiko; Hattori, Gaku; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Copper-catalyzed enantioselective propargylic amination of nonaromatic propargylic esters with amines.","Organic letters","2011","13","9","2460","2463","10.1021/ol200703g","","","0.7107","MoKα","","","0.045","","","","0.0747","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502154","8.9833","0.0002","10.722","0.0003","13.0616","0.0004","90","","90","","90","","1258.08","0.06","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Cl N -","- C13 H18 Cl N -","- C52 H72 Cl4 N4 -","4","1","","Yoshida, Akiko; Hattori, Gaku; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Copper-catalyzed enantioselective propargylic amination of nonaromatic propargylic esters with amines.","Organic letters","2011","13","9","2460","2463","10.1021/ol200703g","","","0.71075","MoKα","","","0.0229","","","","0.062","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502155","10.1029","0.0002","12.3851","0.0002","30.521","0.0006","90","","90","","90","","3818.95","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C192 H168 O36 -","12","3","","Hodgson, David M.; Talbot, Eric P. A.; Clark, Barry P.","Stereoselective synthesis of β-(hydroxymethylaryl/alkyl)-α-methylene-γ-butyrolactones.","Organic letters","2011","13","10","2594","2597","10.1021/ol200711f","","","1.54178","CuKα","","0.0404","0.0364","","","0.0964","0.1004","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502156","5.0952","0.0003","9.0989","0.0006","15.5967","0.001","90","","94.019","0.001","90","","721.3","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C34 H32 Cl2 N2 O2 -","2","1","","Klauber, Eric G.; Mittal, Nisha; Shah, Tejas K.; Seidel, Daniel","A dual-catalysis/anion-binding approach to the kinetic resolution of allylic amines.","Organic letters","2011","13","9","2464","2467","10.1021/ol200712b","","","0.71073","MoKα","","0.0374","0.0359","","","0.0889","0.0899","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502157","5.768","0.002","16.473","0.006","18.703","0.007","90","","92.573","0.004","90","","1775.3","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 I N -","- C22 H16 I N -","- C88 H64 I4 N4 -","4","1","","Ali, Shaukat; Zhu, Hai-Tao; Xia, Xiao-Feng; Ji, Ke-Gong; Yang, Yan-Fang; Song, Xian-Rong; Liang, Yong-Min","Electrophile-driven regioselective synthesis of functionalized quinolines.","Organic letters","2011","13","10","2598","2601","10.1021/ol2007154","","","0.71073","MoKα","","0.0704","0.0411","","","0.066","0.0744","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502158","9.8593","0.0005","11.3699","0.0006","11.6474","0.0006","67.803","0.004","76.579","0.004","89.515","0.004","1171.33","0.11","291","2","291","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H24 N2 O3 S2 -","- C24 H24 N2 O3 S2 -","- C48 H48 N4 O6 S4 -","2","2","","Chen, Wen-Bing; Wu, Zhi-Jun; Hu, Jing; Cun, Lin-Feng; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Organocatalytic direct asymmetric aldol reactions of 3-isothiocyanato oxindoles to ketones: stereocontrolled synthesis of spirooxindoles bearing highly congested contiguous tetrasubstituted stereocenters.","Organic letters","2011","13","9","2472","2475","10.1021/ol200724q","","","1.54184","CuKα","","0.0468","0.0443","","","0.1231","0.1272","","","","","","1.029","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502159","6.8788","0.0004","11.8664","0.0007","28.2929","0.0016","90","","92.305","0.001","90","","2307.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N O6 -","- C28 H27 N O6 -","- C112 H108 N4 O24 -","4","1","","Fenster, Erik; Fehl, Charlie; Aubé, Jeffrey","Use of a tandem Prins/Friedel-Crafts reaction in the construction of the indeno-tetrahydropyridine core of the haouamine alkaloids: formal synthesis of (-)-haouamine A.","Organic letters","2011","13","10","2614","2617","10.1021/ol200725m","","","0.71073","MoKα","","0.0694","0.0646","","","0.161","0.1649","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502160","9.2454","0.0008","9.7345","0.0008","12.6526","0.001","92.626","0.002","90.209","0.002","90.577","0.002","1137.46","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 N O6 -","- C28 H27 N O6 -","- C56 H54 N2 O12 -","2","1","","Fenster, Erik; Fehl, Charlie; Aubé, Jeffrey","Use of a tandem Prins/Friedel-Crafts reaction in the construction of the indeno-tetrahydropyridine core of the haouamine alkaloids: formal synthesis of (-)-haouamine A.","Organic letters","2011","13","10","2614","2617","10.1021/ol200725m","","","0.71073","MoKα","","0.0801","0.0582","","","0.1155","0.1256","","","","","","0.989","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502161","30.462","0.002","13.2317","0.0008","7.6817","0.0005","90","","95.312","0.004","90","","3082.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C160 H176 O16 -","8","2","","Fenster, Erik; Fehl, Charlie; Aubé, Jeffrey","Use of a tandem Prins/Friedel-Crafts reaction in the construction of the indeno-tetrahydropyridine core of the haouamine alkaloids: formal synthesis of (-)-haouamine A.","Organic letters","2011","13","10","2614","2617","10.1021/ol200725m","","","1.54178","CuKα","","0.1104","0.0971","","","0.2769","0.2837","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502162","32.487","0.003","7.6214","0.0008","10.9285","0.0011","90","","90","","90","","2705.9","0.5","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C56 H84 N4 O20 -","- C56 H80.02 N4 O20 -","- C112 H160.04 N8 O40 -","2","0.5","","White, James D.; Shaw, Subrata","cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes.","Organic letters","2011","13","9","2488","2491","10.1021/ol2007378","","","0.71073","MoKα","","0.0849","0.0532","","","0.1053","0.1295","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502163","30.274","0.003","12.6304","0.0013","9.3737","0.001","90","","97.186","0.002","90","","3556.1","0.6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H56 N2 O2 -","- C38 H56 N2 O2 -","- C152 H224 N8 O8 -","4","1","","White, James D.; Shaw, Subrata","cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes.","Organic letters","2011","13","9","2488","2491","10.1021/ol2007378","","","0.71073","MoKα","","0.0772","0.0576","","","0.1437","0.1619","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502164","16.953","0.002","20.663","0.003","11.0738","0.0016","90","","107.751","0.002","90","","3694.5","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38.5 H56 Cu N2 O2.5 -","- C38 H54 Cu N2 O2 -","- C152 H216 Cu4 N8 O8 -","4","0.5","","White, James D.; Shaw, Subrata","cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes.","Organic letters","2011","13","9","2488","2491","10.1021/ol2007378","","","0.71073","MoKα","","0.0561","0.0452","","","0.1152","0.1211","","","","","","1.078","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502165","16.768","0.003","20.434","0.003","11.1052","0.0018","90","","107.415","0.003","90","","3630.6","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H54 N2 Ni O2 -","- C38 H54 N2 Ni O2 -","- C152 H216 N8 Ni4 O8 -","4","0.5","","White, James D.; Shaw, Subrata","cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes.","Organic letters","2011","13","9","2488","2491","10.1021/ol2007378","","","0.71073","MoKα","","0.0641","0.0487","","","0.1085","0.1161","","","","","","1.088","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502166","14.0325","0.0015","10.2155","0.0011","26.161","0.003","90","","102.382","0.001","90","","3662.9","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39.5 H57 N2 O2.5 Pd -","- C39.5 H57 N2 O2.5 Pd -","- C158 H228 N8 O10 Pd4 -","4","2","","White, James D.; Shaw, Subrata","cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes.","Organic letters","2011","13","9","2488","2491","10.1021/ol2007378","","","0.71073","MoKα","","0.0339","0.0306","","","0.0673","0.0696","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502167","25.618","0.005","11.614","0.002","13.245","0.003","90","","99.86","0.03","90","","3882.5","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H34 O3 Si -","- C18 H34 O3 Si -","- C144 H272 O24 Si8 -","8","1","","Xu, Tao; Li, Chuang-chuang; Yang, Zhen","A concise approach for the total synthesis of pseudolaric acid A.","Organic letters","2011","13","10","2630","2633","10.1021/ol200741j","","","0.71073","MoKα","","0.078","0.0458","","","0.0953","0.0992","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502168","12.112","0.002","18.039","0.004","16.191","0.003","90","","94.77","0.03","90","","3525.3","1.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 N2 S2 Si2 -","- C34 H46 N2 S2 Si2 -","- C136 H184 N8 S8 Si8 -","4","1","","Lei, Ting; Zhou, Yan; Cheng, Chu-Yang; Cao, Yue; Peng, Yang; Bian, Jiang; Pei, Jian","Aceno[2,1,3]thiadiazoles for field-effect transistors: synthesis and crystal packing.","Organic letters","2011","13","10","2642","2645","10.1021/ol200748c","","","0.71073","MoKα","","0.0922","0.0433","","","0.0637","0.0703","","","","","","0.994","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502169","7.7416","0.0015","13.653","0.003","17.403","0.004","96.55","0.03","96.65","0.03","101.67","0.03","1771.3","0.7","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N2 S2 Si2 -","- C38 H48 N2 S2 Si2 -","- C76 H96 N4 S4 Si4 -","2","1","","Lei, Ting; Zhou, Yan; Cheng, Chu-Yang; Cao, Yue; Peng, Yang; Bian, Jiang; Pei, Jian","Aceno[2,1,3]thiadiazoles for field-effect transistors: synthesis and crystal packing.","Organic letters","2011","13","10","2642","2645","10.1021/ol200748c","","","0.71073","MoKα","","0.1777","0.0737","","","0.1645","0.1964","","","","","","0.826","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502170","6.7507","0.0019","13.625","0.004","33.905","0.01","85.906","0.008","89.31","0.009","83.324","0.008","3089.5","1.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N2 S2 Si2 -","- C32 H36 N2 S2 Si2 -","- C128 H144 N8 S8 Si8 -","4","2","","Lei, Ting; Zhou, Yan; Cheng, Chu-Yang; Cao, Yue; Peng, Yang; Bian, Jiang; Pei, Jian","Aceno[2,1,3]thiadiazoles for field-effect transistors: synthesis and crystal packing.","Organic letters","2011","13","10","2642","2645","10.1021/ol200748c","","","0.71073","MoKα","","0.1358","0.1216","","","0.3056","0.3146","","","","","","1.094","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502171","10.3359","0.0006","14.861","0.001","19.5709","0.0011","90","","90","","90","","3006.1","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H39 N O3 -","- C38 H39 N O3 -","- C152 H156 N4 O12 -","4","1","","Luan, Yi; Schaus, Scott E.","Multicomponent Mannich reactions with boron enolates derived from diazo esters and 9-BBN.","Organic letters","2011","13","9","2510","2513","10.1021/ol200766t","","","0.71073","MoKα","","0.0665","0.0437","","","0.084","0.0929","","","","","","1.004","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502172","6.0074","0.0001","19.0009","0.0004","15.4033","0.0004","90","","90.4817","0.001","90","","1758.16","0.07","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O S -","- C20 H28 O S -","- C80 H112 O4 S4 -","4","1","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.065","0.0451","","","0.1184","0.1276","","","","","","1.059","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502173","12.688","0.003","13.956","0.003","13.485","0.003","90","","113.862","0.002","90","","2183.7","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 O S -","- C24 H36 O S -","- C96 H144 O4 S4 -","4","1","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.072","0.0457","","","0.1032","0.1143","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502174","5.954","0.0018","14.788","0.004","9.915","0.003","90","","92.977","0.005","90","","871.8","0.4","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","0.5","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.0656","0.0461","","","0.1125","0.1209","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502175","12.824","0.002","11.2004","0.0016","14.99","0.002","90","","101.963","0.002","90","","2106.3","0.5","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 O2 -","- C24 H36 O2 -","- C96 H144 O8 -","4","1","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.0624","0.0496","","","0.1285","0.1365","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502176","5.9123","0.0018","9.604","0.003","16.264","0.005","102.265","0.005","94.527","0.005","97.214","0.004","889.9","0.5","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H30 O S -","- C20 H30 O S -","- C40 H60 O2 S2 -","2","1","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.0665","0.0464","","","0.1197","0.1341","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502177","9.585","0.002","15.461","0.003","23.811","0.005","90","","90","","90","","3528.6","1.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C40 H58 O2 S2 -","- C40 H58 O2 S2 -","- C160 H232 O8 S8 -","4","0.5","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.0884","0.072","","","0.1249","0.1321","","","","","","1.142","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502178","11.481","0.004","15.622","0.006","12.848","0.005","90","","92.794","0.006","90","","2301.6","1.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H31 O10.5 -","- C23 H31 O10.5 -","- C92 H124 O42 -","4","2","","Li, Jian; Li, Li; Si, Yikang; Jiang, Xuejun; Guo, Liangdong; Che, Yongsheng","Virgatolides A–C, Benzannulated Spiroketals from the Plant Endophytic Fungus Pestalotiopsis virgatula","Organic letters","2011","13","10","2670","2673","10.1021/ol200770k","","","0.71073","MoKα","","0.0539","0.0469","","","0.1051","0.1081","","","","","","1.081","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502179","5.8625","0.0003","14.4664","0.0007","14.8726","0.0007","90","","98.613","0.003","90","","1247.11","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 N O S -","- C13 H21 N O S -","- C52 H84 N4 O4 S4 -","4","1","","Glass, Richard S.; Schöneich, Christian; Wilson, George S.; Nauser, Thomas; Yamamoto, Takuhei; Lorance, Edward; Nichol, Gary S.; Ammam, Malika","Neighboring pyrrolidine amide participation in thioether oxidation. Methionine as a ""hopping"" site.","Organic letters","2011","13","11","2837","2839","10.1021/ol200793z","","","0.71073","MoKα","","0.0466","0.0332","","","0.0844","0.092","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502180","3.9157","0.0002","11.6386","0.0005","29.2309","0.0011","90","","91.618","0.002","90","","1331.62","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 O4 -","- C18 H12 O4 -","- C72 H48 O16 -","4","1","","Luo, Tuoping; Dai, Mingji; Zheng, Shao-Liang; Schreiber, Stuart L.","Syntheses of α-pyrones using gold-catalyzed coupling reactions.","Organic letters","2011","13","11","2834","2836","10.1021/ol200794w","","","1.54178","CuKα","","0.078","0.0719","","","0.2025","0.2069","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502181","16.095","0.002","7.1088","0.0009","7.0468","0.0009","90","","102.5","0.007","90","","787.16","0.17","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C44 H32 O4 -","2","1","","Luo, Tuoping; Dai, Mingji; Zheng, Shao-Liang; Schreiber, Stuart L.","Syntheses of α-pyrones using gold-catalyzed coupling reactions.","Organic letters","2011","13","11","2834","2836","10.1021/ol200794w","","","1.54178","CuKα","","0.0647","0.0621","","","0.1608","0.1636","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502182","8.4027","0.0013","13.081","0.002","13.958","0.002","90","","99.794","0.003","90","","1511.8","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 B2 F4 N4 -","- C36 H32 B2 F4 N4 -","- C72 H64 B4 F8 N8 -","2","0.5","","Hayashi, Yosuke; Yamaguchi, Shigeru; Cha, Won Young; Kim, Dongho; Shinokubo, Hiroshi","Synthesis of directly connected BODIPY oligomers through Suzuki-Miyaura coupling.","Organic letters","2011","13","12","2992","2995","10.1021/ol200799u","","","0.71073","MoKα","","0.0677","0.0573","","","0.1619","0.171","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502183","7.602","0.002","24.077","0.006","14.334","0.004","90","","102.602","0.005","90","","2560.4","1.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 B F2 N4 O4 -","- C30 H23 B F2 N4 O4 -","- C120 H92 B4 F8 N16 O16 -","4","1","","Hayashi, Yosuke; Yamaguchi, Shigeru; Cha, Won Young; Kim, Dongho; Shinokubo, Hiroshi","Synthesis of directly connected BODIPY oligomers through Suzuki-Miyaura coupling.","Organic letters","2011","13","12","2992","2995","10.1021/ol200799u","","","0.71073","MoKα","","0.0881","0.0605","","","0.1337","0.1484","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502184","57.842","0.005","7.955","0.005","29.332","0.005","90","0.005","113.676","0.005","90","0.005","12361","8","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C138 H140 B4 Cl6 F8 N16 -","- C138 H140 B4 Cl6 F8 N16 -","- C552 H560 B16 Cl24 F32 N64 -","4","0.5","","Hayashi, Yosuke; Yamaguchi, Shigeru; Cha, Won Young; Kim, Dongho; Shinokubo, Hiroshi","Synthesis of directly connected BODIPY oligomers through Suzuki-Miyaura coupling.","Organic letters","2011","13","12","2992","2995","10.1021/ol200799u","","","0.71069","MoKα","","0.1571","0.0545","","","0.116","0.1536","","","","","","0.812","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502185","7.676","0.005","24.661","0.005","14.676","0.005","90","0.005","100.684","0.005","90","0.005","2730","2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 B F2 N4 O2 -","- C32 H29 B F2 N4 O2 -","- C128 H116 B4 F8 N16 O8 -","4","1","","Hayashi, Yosuke; Yamaguchi, Shigeru; Cha, Won Young; Kim, Dongho; Shinokubo, Hiroshi","Synthesis of directly connected BODIPY oligomers through Suzuki-Miyaura coupling.","Organic letters","2011","13","12","2992","2995","10.1021/ol200799u","","","0.71069","MoKα","","0.146","0.0794","","","0.1503","0.1739","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502186","49.52","0.06","4.861","0.006","40.62","0.05","90","","116.289","0.015","90","","8767","19","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H14 O -","- C23 H14 O -","- C552 H336 O24 -","24","3","","Xiao, Jinchong; Yang, Bo; Wong, Jen It; Liu, Yi; Wei, Fengxia; Tan, Ke Jie; Teng, Xue; Wu, Yuechao; Huang, Ling; Kloc, Christian; Boey, Freddy; Ma, Jan; Zhang, Hua; Yang, Hui Ying; Zhang, Qichun","Synthesis, characterization, self-assembly, and physical properties of 11-methylbenzo[d]pyreno[4,5-b]furan.","Organic letters","2011","13","12","3004","3007","10.1021/ol2008186","","","0.71073","MoKα","","0.1504","0.0788","","","0.2083","0.2513","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502187","5.7541","0.0003","12.5905","0.0007","28.0403","0.0015","90","","90","","90","","2031.44","0.19","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C88 H88 Br8 O16 -","8","2","","Tan, Chong Kiat; Zhou, Ling; Yeung, Ying-Yeung","Aminothiocarbamate-catalyzed asymmetric bromolactonization of 1,2-disubstituted olefinic acids.","Organic letters","2011","13","10","2738","2741","10.1021/ol200840e","","","0.71073","MoKα","","0.0438","0.0352","","","0.0783","0.0811","","","","","","0.992","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502188","6.423","0.0004","7.4429","0.0005","17.9557","0.0012","90","","90.051","0.006","90","","858.39","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 O2 S -","- C21 H22 O2 S -","- C42 H44 O4 S2 -","2","1","","Thaler, Tobias; Guo, Li-Na; Steib, Andreas K.; Raducan, Mihai; Karaghiosoff, Konstantin; Mayer, Peter; Knochel, Paul","Sulfoxide-alkene hybrids: a new class of chiral ligands for the Hayashi-Miyaura reaction.","Organic letters","2011","13","12","3182","3185","10.1021/ol200841x","","","0.71073","MoKα","","0.0516","0.0407","","","0.0894","0.0921","","","","","","0.946","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502189","6.4067","0.0002","13.1037","0.0004","21.1126","0.0006","90","","90","","90","","1772.43","0.09","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O2 S -","- C21 H22 O2 S -","- C84 H88 O8 S4 -","4","1","","Thaler, Tobias; Guo, Li-Na; Steib, Andreas K.; Raducan, Mihai; Karaghiosoff, Konstantin; Mayer, Peter; Knochel, Paul","Sulfoxide-alkene hybrids: a new class of chiral ligands for the Hayashi-Miyaura reaction.","Organic letters","2011","13","12","3182","3185","10.1021/ol200841x","","","0.71073","MoKα","","0.0373","0.0316","","","0.072","0.075","","","","","","1.095","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502190","12.9107","0.0004","15.5761","0.0004","17.5681","0.0004","90","","94.303","0.0015","90","","3522.96","0.16","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 B2 N O6 -","- C35 H51 B2 N O6 -","- C140 H204 B8 N4 O24 -","4","1","","Battagliarin, Glauco; Li, Chen; Enkelmann, Volker; Müllen, Klaus","2,5,8,11-Tetraboronic ester perylenediimides: a next generation building block for dye-stuff synthesis.","Organic letters","2011","13","12","3012","3015","10.1021/ol2008457","","","0.71073","MoKα","","0.0957","0.069","","0.0961","0.0794","0.0794","","","","","","1.0304","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502191","15.6","0.002","15.6","0.002","33.184","0.007","90","","90","","120","","6993.7","1.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C60 H42 N4 O4.5 -","- C60 H42 N4 O4.5 -","- C360 H252 N24 O27 -","6","0.333333","","Zhou, Ying; Jung, Ji Young; Jeon, Hye Ryeong; Kim, Youngmee; Kim, Sung-Jin; Yoon, Juyoung","A novel supermolecular tetrameric vanadate-selective colorimetric and ""off-on"" sensor with pyrene ligand.","Organic letters","2011","13","10","2742","2745","10.1021/ol200846a","","","0.71073","MoKα","","0.202","0.1018","","","0.3049","0.3796","","","","","","1.066","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502192","10.5344","0.0002","14.9966","0.0003","24.4556","0.0017","90","","96.476","0.007","90","","3838.8","0.3","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O4 S -","- C23 H20 O4 S -","- C184 H160 O32 S8 -","8","2","","Kuninobu, Yoichiro; Matsuzaki, Hironori; Nishi, Mitsumi; Takai, Kazuhiko","Rhenium-catalyzed regio- and stereoselective addition of two carbon units to terminal alkynes via carbon-carbon bond cleavage of β-keto sulfones.","Organic letters","2011","13","11","2959","2961","10.1021/ol2008507","","","1.54187","CuKα","","","0.056","","","","0.0871","","","","","","1.123","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502193","13.2069","0.0007","14.6494","0.0007","15.7541","0.0009","72.654","0.004","76.898","0.004","64.857","0.004","2616","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H48 Cl3 N5 Ni O4 -","- C67 H48 Cl3 N5 Ni O4 -","- C134 H96 Cl6 N10 Ni2 O8 -","2","1","","Jiang, Lin; Engle, James T.; Sirk, Laura; Hartley, C. Scott; Ziegler, Christopher J.; Wang, Hong","Triphenylene-fused porphyrins.","Organic letters","2011","13","12","3020","3023","10.1021/ol200853g","","","1.54178","CuKα","","0.1192","0.0899","","","0.2263","0.2462","","","","","","1.598","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502194","13.96","0.002","14.0133","0.0011","16.0894","0.0013","112.417","0.005","107.325","0.007","97.545","0.007","2668.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H45.65 N5 Ni O4 -","- C66 H45.65 N5 Ni O4 -","- C132 H91.3 N10 Ni2 O8 -","2","1","","Jiang, Lin; Engle, James T.; Sirk, Laura; Hartley, C. Scott; Ziegler, Christopher J.; Wang, Hong","Triphenylene-fused porphyrins.","Organic letters","2011","13","12","3020","3023","10.1021/ol200853g","","","1.54178","CuKα","","0.1262","0.0868","","","0.2548","0.2716","","","","","","1.652","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502195","22.2786","0.0013","13.2257","0.0005","17.1649","0.0011","90","","118.54","0.008","90","","4443.1","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H58 N2 O10 -","- C54 H58 N2 O10 -","- C216 H232 N8 O40 -","4","0.5","","Niu, Zhenbin; Slebodnick, Carla; Bonrad, Klaus; Huang, Feihe; Gibson, Harry W.","The first [2]pseudorotaxane and the first pseudocryptand-type poly[2]pseudorotaxane based on bis(meta-phenylene)-32-crown-10 and paraquat derivatives.","Organic letters","2011","13","11","2872","2875","10.1021/ol200862b","","x-ray","1.54178","CuKα","","0.0537","0.0399","","","0.1041","0.1099","","","","","","1.065","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502196","15.8655","0.0006","16.864","0.0007","19.0778","0.0007","69.1","0.004","79.47","0.003","77.127","0.004","4618.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H107 F24 N6 O14.5 P4 -","- C87 H104 F23.988 N6 O14.501 P3.998 -","- C174 H208 F47.976 N12 O29.002 P7.996 -","2","1","","Niu, Zhenbin; Slebodnick, Carla; Bonrad, Klaus; Huang, Feihe; Gibson, Harry W.","The first [2]pseudorotaxane and the first pseudocryptand-type poly[2]pseudorotaxane based on bis(meta-phenylene)-32-crown-10 and paraquat derivatives.","Organic letters","2011","13","11","2872","2875","10.1021/ol200862b","","x-ray","1.54178","CuKα","","0.088","0.067","","","0.1882","0.2036","","","","","","1.076","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502197","11.2453","0.0003","20.5407","0.0005","32.2584","0.001","90","","99.838","0.003","90","","7341.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C71 H82 F12 N4 O13 P2 -","- C71 H82 F12 N4 O13 P2 -","- C284 H328 F48 N16 O52 P8 -","4","1","","Niu, Zhenbin; Slebodnick, Carla; Bonrad, Klaus; Huang, Feihe; Gibson, Harry W.","The first [2]pseudorotaxane and the first pseudocryptand-type poly[2]pseudorotaxane based on bis(meta-phenylene)-32-crown-10 and paraquat derivatives.","Organic letters","2011","13","11","2872","2875","10.1021/ol200862b","","x-ray","0.71073","MoKα","","0.1045","0.0765","","","0.1912","0.208","","","","","","1.048","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502198","11.8405","0.0003","21.1915","0.0005","14.7699","0.0004","90","","102.588","0.003","90","","3616.95","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H73.04 F12 N4 O10.52 P2 -","- C66 H72 F12 N4 O10.518 P2 -","- C132 H144 F24 N8 O21.036 P4 -","2","0.5","","Niu, Zhenbin; Slebodnick, Carla; Bonrad, Klaus; Huang, Feihe; Gibson, Harry W.","The first [2]pseudorotaxane and the first pseudocryptand-type poly[2]pseudorotaxane based on bis(meta-phenylene)-32-crown-10 and paraquat derivatives.","Organic letters","2011","13","11","2872","2875","10.1021/ol200862b","","x-ray","1.54178","CuKα","","0.0547","0.0512","","","0.1378","0.141","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502199","8.4887","0.0013","10.4646","0.0016","16.491","0.003","90","","90","","90","","1464.9","0.4","571","2","571","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Wang, Peng-Cheng; Ran, Xin-Hui; Luo, Huai-Rong; Hu, Jiang-Miao; Chen, Rui; Ma, Qing-Yun; Dai, Hao-Fu; Liu, Yu-Qing; Xie, Ming-Jin; Zhou, Jun; Zhao, You-Xing","Volvalerelactones A and B, two new sesquiterpenoid lactones with an unprecedented skeleton from Valeriana officinalis var. latifolia.","Organic letters","2011","13","12","3036","3039","10.1021/ol200878w","","","0.71073","MoKα","","0.0996","0.0542","","","0.1007","0.1191","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502200","13.27","0.004","13.618","0.005","16.073","0.005","90","","90","","90","","2904.6","1.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O6 -","- C30 H46 O6 -","- C120 H184 O24 -","4","1","","Wang, Peng-Cheng; Ran, Xin-Hui; Luo, Huai-Rong; Hu, Jiang-Miao; Chen, Rui; Ma, Qing-Yun; Dai, Hao-Fu; Liu, Yu-Qing; Xie, Ming-Jin; Zhou, Jun; Zhao, You-Xing","Volvalerelactones A and B, two new sesquiterpenoid lactones with an unprecedented skeleton from Valeriana officinalis var. latifolia.","Organic letters","2011","13","12","3036","3039","10.1021/ol200878w","","","0.71073","MoKα","","0.3375","0.0803","","","0.1159","0.1805","","","","","","0.898","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502201","8.6606","0.0004","7.5271","0.0004","11.6989","0.0005","90","","109.834","0.003","90","","717.4","0.06","93.1","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O6 -","- C13 H19 N O6 -","- C26 H38 N2 O12 -","2","1","","Satoh, Nobuhiro; Yokoshima, Satoshi; Fukuyama, Tohru","Total synthesis of (-)-salinosporamide A.","Organic letters","2011","13","12","3028","3031","10.1021/ol200886j","","","1.54187","CuKα","","","0.0537","","","","0.1617","","","","","","1.117","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502202","8.054","0.007","15.351","0.013","17.569","0.015","78.327","0.016","87.401","0.017","88.636","0.014","2125","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H51 Br2 N Si2 -","- C43 H51 Br2 N Si2 -","- C86 H102 Br4 N2 Si4 -","2","1","","Song, Cheng-Li; Ma, Chong-Bo; Yang, Feng; Zeng, Wei-Jing; Zhang, Hao-Li; Gong, Xiong","Synthesis of tetrachloro-azapentacene as an ambipolar organic semiconductor with high and balanced carrier mobilities.","Organic letters","2011","13","11","2880","2883","10.1021/ol2008999","","","0.71073","MoKα","","0.3335","0.0945","","","0.1976","0.2607","","","","","","1.018","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502203","9.1415","0.0008","11.9955","0.0011","12.379","0.0011","114.061","0.002","92.973","0.002","103.834","0.002","1186.34","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C60 H50 N2 O6 -","2","1","","Lage, Marta L.; Fernández, Israel; Sierra, Miguel A.; Torres, M. Rosario","Trapping intermediates in an [8 + 2] cycloaddition reaction with the help of DFT calculations.","Organic letters","2011","13","11","2892","2895","10.1021/ol200910z","","","0.71073","MoKα","","0.0682","0.0385","","","0.0921","0.1045","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502204","5.8864","0.0002","13.4539","0.0004","20.4973","0.0006","90","","90","","90","","1623.28","0.09","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O4 S -","- C15 H21 N O4 S -","- C60 H84 N4 O16 S4 -","4","1","","Churches, Quentin I.; White, Jonathan M.; Hutton, Craig A.","Synthesis of β,γ-dihydroxyhomotyrosines by a tandem Petasis-asymmetric dihydroxylation approach.","Organic letters","2011","13","11","2900","2903","10.1021/ol200917s","","","1.5418","CuKα","","0.0356","0.035","","","0.0949","0.0954","","","","","","1.077","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502205","5.004","0.0001","20.1705","0.0004","15.9818","0.0003","90","","96.053","0.002","90","","1604.1","0.05","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","2","","Churches, Quentin I.; White, Jonathan M.; Hutton, Craig A.","Synthesis of β,γ-dihydroxyhomotyrosines by a tandem Petasis-asymmetric dihydroxylation approach.","Organic letters","2011","13","11","2900","2903","10.1021/ol200917s","","","1.5418","CuKα","","0.0513","0.0397","","","0.0806","0.0857","","","","","","0.95","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502206","8.6811","0.0003","13.9912","0.0004","48.0454","0.0015","90","","90","","90","","5835.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O3 Se -","- C23 H19 N O3 Se -","- C276 H228 N12 O36 Se12 -","12","3","","Marcos, Vanesa; Alemán, Jose; Ruano, Jose L Garcia; Marini, Francesca; Tiecco, Marcello","Asymmetric synthesis of α-alkyl α-selenocarbonyl compounds catalyzed by bifunctional organocatalysts.","Organic letters","2011","13","12","3052","3055","10.1021/ol200923p","","","1.54178","CuKα","","0.0287","0.0277","","","0.0673","0.0679","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502207","10.509","","13.97","","10.942","","90","","103","","90","","1565.23","","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C64 H72 N8 O20 -","4","2","","Sanchez Duque, Maria del Mar; Baslé, Olivier; Isambert, Nicolas; Gaudel-Siri, Anouk; Génisson, Yves; Plaquevent, Jean-Christophe; Rodriguez, Jean; Constantieux, Thierry","A Cooperative Participation of the Amido Group in the Organocatalytic Construction of All-Carbon Quaternary Stereocenters by Michael Addition with β-Ketoamides","Organic Letters","2011","13","13","3296","3299","10.1021/ol200924e","","x-ray","0.71073","MoKα","","0.1217","0.08","","","0.1992","0.2363","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502208","10.487","0.0008","11.7829","0.0008","12.0638","0.0008","90","","90","","90","","1490.69","0.18","293","2","292.85","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","","Zhou, Lin; Lin, Lili; Ji, Jie; Xie, Mingsheng; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric vinylogous Mannich-type (AVM) reaction of nonactivated α-angelica lactone.","Organic letters","2011","13","12","3056","3059","10.1021/ol200939t","","","0.7107","MoKα","","0.065","0.0475","","","0.1031","0.1146","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502209","15.457","0.002","15.457","0.002","42.11","0.008","90","","90","","120","","8713","2","173","2","173","2","","","","","","","","7","P 61","P 61","169","","","","- C43 H56 Cl4 N2 O4 Rh2 S2 -","- C43 H56 Cl4 N2 O4 Rh2 S2 -","- C258 H336 Cl24 N12 O24 Rh12 S12 -","6","1","","Feng, Xiangqing; Wang, Yazhou; Wei, Beibei; Yang, Jing; Du, Haifeng","Simple N-sulfinyl-based chiral sulfur-olefin ligands for rhodium-catalyzed asymmetric 1,4-additions.","Organic letters","2011","13","13","3300","3303","10.1021/ol2009494","","","0.71073","MoKα","","0.0701","0.0646","","","0.166","0.1702","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502210","15.09","0.004","15.095","0.007","15.132","0.004","96.611","0.004","116.223","0.003","108.05","0.004","2808.6","1.7","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C56 H84 O8 -","- C56 H84 O8 -","- C112 H168 O16 -","2","2","","Bai, Xinyan; Barnes, Charles; Pascal, Jr, Robert A.; Chen, Xueyi; Dias, Jerry Ray","Bile Acid-Based Cage Compounds with Lipophilic Outer Shells and Inner Cavities","Organic Letters","2011","13","12","3064","3067","10.1021/ol200953h","","","0.71073","MoKα","","0.0889","0.0756","","","0.2006","0.2132","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502211","18.3457","0.0009","24.3333","0.0012","24.9713","0.0012","90","","90","","90","","11147.5","0.9","173","2","173","2","","","","","","","chemical synthesis","4","C 2 2 21","C 2c 2","20","","cyclobis[7-O-(4-pentenoyl)chenodeoxycholate] chloroform-acetone solvate","","- C59.95 H91.375 Cl1.575 O8.475 -","- C59.95 H91.375 Cl1.575 O8.475 -","- C479.6 H731 Cl12.6 O67.8 -","8","1","","Bai, Xinyan; Barnes, Charles; Pascal, Jr, Robert A; Chen, Xueyi; Dias, Jerry Ray","Bile acid-based cage compounds with lipophilic outer shells and inner cavities.","Organic letters","2011","13","12","3064","3067","10.1021/ol200953h","","","0.71073","MoKα","","0.1299","0.0614","","","0.1296","0.1637","","","","1.127","1.127","1.06","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502212","12.322","0.002","10.019","0.002","15.678","0.003","90","","112.203","0.003","90","","1792","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O6 -","- C17 H23 N O6 -","- C68 H92 N4 O24 -","4","2","","Shing, Tony K. M.; So, King H.","Facile and enantiospecific syntheses of (6S,7R)-6-chloro-7-benzyloxy-, (7S)-halo-, and (7S)-hydroxy-cocaine and natural (-)-cocaine from D-(-)-ribose.","Organic letters","2011","13","11","2916","2919","10.1021/ol2009686","","","0.71073","MoKα","","0.12","0.0609","","","0.1431","0.1626","","","","","","0.908","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502213","8.7316","0.0008","11.9598","0.0011","16.9623","0.0015","90","","90","","90","","1771.3","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O7 -","- C17 H25 N O7 -","- C68 H100 N4 O28 -","4","1","","Shing, Tony K. M.; So, King H.","Facile and enantiospecific syntheses of (6S,7R)-6-chloro-7-benzyloxy-, (7S)-halo-, and (7S)-hydroxy-cocaine and natural (-)-cocaine from D-(-)-ribose.","Organic letters","2011","13","11","2916","2919","10.1021/ol2009686","","","0.71073","MoKα","","0.0504","0.0397","","","0.1089","0.1215","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502214","8.7187","0.0002","10.0275","0.0002","12.7718","0.0003","90","","103.938","0.002","90","","1083.72","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O7 -","- C21 H27 N O7 -","- C42 H54 N2 O14 -","2","1","","Shing, Tony K. M.; So, King H.","Facile and enantiospecific syntheses of (6S,7R)-6-chloro-7-benzyloxy-, (7S)-halo-, and (7S)-hydroxy-cocaine and natural (-)-cocaine from D-(-)-ribose.","Organic letters","2011","13","11","2916","2919","10.1021/ol2009686","","","1.54178","CuKα","","0.0561","0.0473","","","0.1449","0.16","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502215","9.897","0.006","11.401","0.008","24.683","0.016","90","","90","","90","","2785","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N O8 -","- C31 H29 N O8 -","- C124 H116 N4 O32 -","4","1","","Shing, Tony K. M.; So, King H.","Facile and enantiospecific syntheses of (6S,7R)-6-chloro-7-benzyloxy-, (7S)-halo-, and (7S)-hydroxy-cocaine and natural (-)-cocaine from D-(-)-ribose.","Organic letters","2011","13","11","2916","2919","10.1021/ol2009686","","","0.71073","MoKα","","0.1712","0.0781","","","0.1676","0.2127","","","","","","0.987","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502216","9.2743","0.0002","20.2718","0.0004","10.6622","0.0002","90","","90.193","0.001","90","","2004.55","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C92 H84 N4 O20 -","4","1","","Wang, Jingqi; Crane, Erika A.; Scheidt, Karl A.","Highly stereoselective Brønsted acid catalyzed synthesis of spirooxindole pyrans.","Organic letters","2011","13","12","3086","3089","10.1021/ol200987c","","","1.54178","CuKα","","0.0377","0.0322","","","0.096","0.1016","","","","","","0.728","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502217","21.881","0.003","21.881","0.003","21.626","0.003","90","","90","","120","","8967","2","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H32 O2 Si -","- C18 H32 O2 Si -","- C324 H576 O36 Si18 -","18","1","","Lu, Yin-Suo; Peng, Xiao-Shui","A concise construction of the chlorahololide heptacyclic core.","Organic letters","2011","13","11","2940","2943","10.1021/ol2009973","","","0.71073","MoKα","","0.1242","0.0902","","","0.2521","0.2916","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502218","16.731","0.008","12.758","0.006","13.573","0.006","90","","104.046","0.01","90","","2811","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H43 O3 Si -","- C30 H43 O3 Si -","- C120 H172 O12 Si4 -","4","1","","Lu, Yin-Suo; Peng, Xiao-Shui","A concise construction of the chlorahololide heptacyclic core.","Organic letters","2011","13","11","2940","2943","10.1021/ol2009973","","","0.71073","MoKα","","0.0976","0.0743","","","0.2026","0.2263","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502219","10.3798","0.0009","14.597","0.0014","18.4891","0.0018","90","","90","","90","","2801.4","0.5","293","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Cl F O4 -","- C30 H32 Cl F O4 -","- C120 H128 Cl4 F4 O16 -","4","1","","Shibatomi, Kazutaka; Narayama, Akira; Soga, Yoshinori; Muto, Tsubasa; Iwasa, Seiji","Enantioselective gem-chlorofluorination of active methylene compounds using a chiral spiro oxazoline ligand.","Organic letters","2011","13","11","2944","2947","10.1021/ol201007e","","","0.71069","MoKα","","0.0785","0.0631","","","0.147","0.1569","","","","","","1.158","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502220","8.37","0.0012","11.7321","0.0019","12.65","0.002","84.709","0.011","76.761","0.01","81.899","0.009","1194.8","0.3","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Cl F O4 -","- C11 H10 Cl F O4 -","- C44 H40 Cl4 F4 O16 -","4","2","","Shibatomi, Kazutaka; Narayama, Akira; Soga, Yoshinori; Muto, Tsubasa; Iwasa, Seiji","Enantioselective gem-chlorofluorination of active methylene compounds using a chiral spiro oxazoline ligand.","Organic letters","2011","13","11","2944","2947","10.1021/ol201007e","","x-ray","0.71069","MoKα","","0.0461","0.0414","","","0.1076","0.1123","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502221","15.9696","0.0015","11.2841","0.0011","9.6423","0.001","90","","96.361","0.003","90","","1726.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Br N2 O2 -","- C18 H23 Br N2 O2 -","- C72 H92 Br4 N8 O8 -","4","1","","Hardy, Simon; Martin, Stephen F.","Multicomponent assembly and diversification of novel heterocyclic scaffolds derived from 2-arylpiperidines.","Organic letters","2011","13","12","3102","3105","10.1021/ol201010s","","","0.71075","MoKα","","0.0484","0.0351","","","0.0715","0.0775","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502222","16.431","0.002","9.5653","0.0012","14.1865","0.0015","90","","106.411","0.008","90","","2138.8","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 I N2 O2 -","- C23 H27 I N2 O2 -","- C92 H108 I4 N8 O8 -","4","1","","Hardy, Simon; Martin, Stephen F.","Multicomponent assembly and diversification of novel heterocyclic scaffolds derived from 2-arylpiperidines.","Organic letters","2011","13","12","3102","3105","10.1021/ol201010s","","","0.71074","MoKα","","0.1255","0.0799","","","0.175","0.1929","","","","","","1.337","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502223","7.2964","0.0003","13.4415","0.0006","27.0296","0.0012","90","","90","","90","","2650.9","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 F6 N3 O3 -","- C30 H25 F6 N3 O3 -","- C120 H100 F24 N12 O12 -","4","1","","Knight, John D.; Sauer, Scott J.; Coltart, Don M.","Asymmetric total synthesis of the antimalarial drug (+)-mefloquine hydrochloride via chiral N-amino cyclic carbamate hydrazones.","Organic letters","2011","13","12","3118","3121","10.1021/ol2010193","","","0.71073","MoKα","","0.0459","0.0428","","","0.1002","0.1018","","","","","","1.111","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502224","12.1781","0.0003","18.093","0.0004","18.6755","0.0004","94.0274","0.0017","108.251","0.0019","99.0435","0.0017","3827.91","0.16","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H65 F15 N8 Ni O10 -","- C72 H65 F15 N8 Ni O10 -","- C144 H130 F30 N16 Ni2 O20 -","2","1","","Lo, Mamadou; Lefebvre, Jean-François; Leclercq, Dominique; van der Lee, Arie; Richeter, Sébastien","Stepwise fusion of porphyrin β,β'-pyrrolic positions to imidazole rings.","Organic letters","2011","13","12","3110","3113","10.1021/ol2010215","","","0.71073","MoKα","","0.09","0.0655","","0.1034","0.0746","0.0746","","","","","","0.9552","","","","has coordinates","288254","2023-12-12","15:21:32",""
"1502225","6.886","0.002","9.127","0.003","12.929","0.004","89.976","0.004","88.253","0.004","75.849","0.004","787.5","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","11018c","","","- C16 H20 N2 O4 S -","- C16 H20 N2 O4 S -","- C32 H40 N4 O8 S2 -","2","1","","Feltenberger, John B.; Hsung, Richard P.","Oppolzer-type intramolecular Diels-Alder cycloadditions via isomerizations of allenamides.","Organic letters","2011","13","12","3114","3117","10.1021/ol2010227","","","0.71073","MoKα","","0.0516","0.0418","","","0.1195","0.1252","","","","","","1.135","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502226","10.792","0.009","15.356","0.012","17.73","0.014","90","","90","","90","","2938","4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 N2 O8 S -","- C29 H32 N2 O8 S -","- C116 H128 N8 O32 S4 -","4","1","","Yao, Ming; Lu, Chong-Dao","Three-component reactions of sulfonylimidates, silyl glyoxylates and N-tert-butanesulfinyl aldimines: an efficient, diastereoselective, and enantioselective synthesis of Cyclic N-sulfonylamidines.","Organic letters","2011","13","10","2782","2785","10.1021/ol201029b","","","0.71073","MoKα","","0.109","0.0509","","","0.0994","0.1218","","","","","","0.982","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502227","9.071","0.003","13.012","0.005","13.847","0.005","105.575","0.004","96.749","0.004","103.098","0.004","1505.4","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H38 N2 O6 S2 Si -","- C26 H38 N2 O6 S2 Si -","- C52 H76 N4 O12 S4 Si2 -","2","1","","Yao, Ming; Lu, Chong-Dao","Three-component reactions of sulfonylimidates, silyl glyoxylates and N-tert-butanesulfinyl aldimines: an efficient, diastereoselective, and enantioselective synthesis of Cyclic N-sulfonylamidines.","Organic letters","2011","13","10","2782","2785","10.1021/ol201029b","","","0.71073","MoKα","","0.1119","0.0707","","","0.1783","0.1963","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502228","26.9423","0.0019","11.5811","0.0009","12.2531","0.0011","90","","98.789","0.006","90","","3778.3","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O2 S Si -","- C18 H25 N O2 S Si -","- C144 H200 N8 O16 S8 Si8 -","8","2","","Garcia, Pierre; Harrak, Youssef; Diab, Lisa; Cordier, Pierre; Ollivier, Cyril; Gandon, Vincent; Malacria, Max; Fensterbank, Louis; Aubert, Corinne","Silver-catalyzed cycloisomerization of 1,n-allenynamides.","Organic letters","2011","13","11","2952","2955","10.1021/ol201041h","","","0.71073","MoKα","","0.1252","0.0531","","","0.1237","0.1494","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502229","11.2195","0.0009","12.8091","0.0007","13.7031","0.0012","92.225","0.006","91.911","0.007","92.52","0.005","1964.7","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H27 N O2 S Si -","- C19 H27 N O2 S Si -","- C76 H108 N4 O8 S4 Si4 -","4","2","","Garcia, Pierre; Harrak, Youssef; Diab, Lisa; Cordier, Pierre; Ollivier, Cyril; Gandon, Vincent; Malacria, Max; Fensterbank, Louis; Aubert, Corinne","Silver-catalyzed cycloisomerization of 1,n-allenynamides.","Organic letters","2011","13","11","2952","2955","10.1021/ol201041h","","","0.71073","MoKα","","0.0931","0.0495","","","0.1183","0.1373","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502230","10.024","0.004","7.592","0.003","23.625","0.009","90","","93.264","0.004","90","","1795","1.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 O2 -","- C22 H28 O2 -","- C88 H112 O8 -","4","1","","Zhang, Ling; Xie, Xingang; Liu, Jian; Qi, Jing; Ma, Donghui; She, Xuegong","Concise total synthesis of (±)-dasyscyphin D.","Organic letters","2011","13","11","2956","2958","10.1021/ol201047m","","","0.71073","MoKα","","0.0894","0.0513","","","0.1148","0.1332","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502231","10.7041","0.0002","6.703","0.0002","13.9287","0.0003","90","","92.639","0.002","90","","998.32","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 Fe O7 Si -","- C17 H24 Fe O7 Si -","- C34 H48 Fe2 O14 Si2 -","2","1","","Palframan, Matthew J.; Kociok-Köhn, Gabriele; Lewis, Simon E.","Total synthesis of (+)-grandifloracin by iron complexation of a microbial arene oxidation product.","Organic letters","2011","13","12","3150","3153","10.1021/ol201057r","","","0.71073","MoKα","","0.0345","0.0272","","","0.0576","0.0603","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502232","32.8336","0.0013","3.9719","0.0002","25.7332","0.001","90","","103.456","0.002","90","","3263.8","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 Br O3 -","- C21 H13 Br O3 -","- C168 H104 Br8 O24 -","8","1","","Syu, Siang-en; Lee, Yu-Ting; Jang, Yeong-Jiunn; Lin, Wenwei","Preparation of functional benzofurans, benzothiophenes, and indoles using ester, thioester, and amide via intramolecular Wittig reactions.","Organic letters","2011","13","11","2970","2973","10.1021/ol201062r","","","0.71073","MoKα","","0.0397","0.0277","","","0.0766","0.1131","","","","","","0.717","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502233","14.7694","0.0009","9.5633","0.0007","17.9026","0.0016","90","","104.874","0.003","90","","2443.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","Syu, Siang-en; Lee, Yu-Ting; Jang, Yeong-Jiunn; Lin, Wenwei","Preparation of functional benzofurans, benzothiophenes, and indoles using ester, thioester, and amide via intramolecular Wittig reactions.","Organic letters","2011","13","11","2970","2973","10.1021/ol201062r","","","0.71073","MoKα","","0.2267","0.1015","","","0.2623","0.332","","","","","","0.869","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502234","6.896","0.0002","8.462","0.0002","18.512","0.0006","86.812","0.001","86.196","0.001","82.011","0.001","1066.23","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Cl N O2 -","- C28 H20 Cl N O2 -","- C56 H40 Cl2 N2 O4 -","2","1","","Syu, Siang-en; Lee, Yu-Ting; Jang, Yeong-Jiunn; Lin, Wenwei","Preparation of functional benzofurans, benzothiophenes, and indoles using ester, thioester, and amide via intramolecular Wittig reactions.","Organic letters","2011","13","11","2970","2973","10.1021/ol201062r","","","0.71073","MoKα","","0.0751","0.0536","","","0.143","0.1675","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502235","10.647","0.003","6.0513","0.0016","35.119","0.009","90","","97.762","0.005","90","","2241.9","1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 O4 -","- C28 H20 N2 O4 -","- C112 H80 N8 O16 -","4","1","","Syu, Siang-en; Lee, Yu-Ting; Jang, Yeong-Jiunn; Lin, Wenwei","Preparation of functional benzofurans, benzothiophenes, and indoles using ester, thioester, and amide via intramolecular Wittig reactions.","Organic letters","2011","13","11","2970","2973","10.1021/ol201062r","","","0.71073","MoKα","","0.1459","0.0611","","","0.1138","0.1479","","","","","","0.96","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502236","9.165","0.0011","18.929","0.002","30.39","0.004","90","","90","","90","","5272.2","1.1","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H22 N4 O5 -","- C30 H22 N4 O5 -","- C240 H176 N32 O40 -","8","1","","Deng, Hong-Ping; Wei, Yin; Shi, Min","Highly regio- and diastereoselective construction of spirocyclopenteneoxindoles through phosphine-catalyzed [3 + 2] annulation of Morita-Baylis-Hillman carbonates with isatylidene malononitriles.","Organic letters","2011","13","13","3348","3351","10.1021/ol201094f","","","0.71073","MoKα","","0.059","0.0476","","","0.1226","0.129","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502237","16.2244","0.0016","13.6922","0.0014","13.2558","0.0013","90","","109.666","0.002","90","","2773","0.5","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N3 O7 -","- C32 H27 N3 O7 -","- C128 H108 N12 O28 -","4","1","","Deng, Hong-Ping; Wei, Yin; Shi, Min","Highly regio- and diastereoselective construction of spirocyclopenteneoxindoles through phosphine-catalyzed [3 + 2] annulation of Morita-Baylis-Hillman carbonates with isatylidene malononitriles.","Organic letters","2011","13","13","3348","3351","10.1021/ol201094f","","","0.71073","MoKα","","0.0514","0.0398","","","0.1098","0.1214","","","","","","0.895","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502238","14.4437","0.0002","5.7383","0.0001","19.0506","0.0003","90","","112.178","0.001","90","","1462.14","0.04","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(4-Chlorophenyl)sulfinyl]ethyl Phenyl Sulfone","","- C14 H13 Cl O3 S2 -","- C14 H13 Cl O3 S2 -","- C56 H52 Cl4 O12 S8 -","4","1","","Gelat, Fabien; Jayashankaran, Jayadevan; Lohier, Jean-François; Gaumont, Annie-Claude; Perrio, Stéphane","Organocatalytic asymmetric synthesis of sulfoxides from sulfenic acid anions mediated by a Cinchona-derived phase-transfer reagent.","Organic letters","2011","13","12","3170","3173","10.1021/ol2010962","","","0.71073","MoKα","","0.04","0.032","","","0.0875","0.0945","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502239","32.4723","0.0007","5.3295","0.0001","19.7631","0.0005","90","","123.424","0.001","90","","2854.58","0.11","176","2","176","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-[(4-Chlorophenyl)sulfanyl]ethyl Phenyl Sulfone","","- C14 H13 Cl O2 S2 -","- C14 H13 Cl O2 S2 -","- C112 H104 Cl8 O16 S16 -","8","1","","Gelat, Fabien; Jayashankaran, Jayadevan; Lohier, Jean-François; Gaumont, Annie-Claude; Perrio, Stéphane","Organocatalytic asymmetric synthesis of sulfoxides from sulfenic acid anions mediated by a Cinchona-derived phase-transfer reagent.","Organic letters","2011","13","12","3170","3173","10.1021/ol2010962","","","0.71073","MoKα","","0.0375","0.0305","","","0.0809","0.0879","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502240","14.78","0.005","17.617","0.006","6.08","0.002","90","","90","","90","","1583.1","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C76 H68 N4 O8 S4 -","4","1","","Li, Shaoyu; Luo, Yong; Wu, Jie","An efficient approach to fused indolines via a copper(I)-catalyzed reaction of sulfonyl azide with 2-ethynylaryl methylenecyclopropane.","Organic letters","2011","13","12","3190","3193","10.1021/ol2011067","","","0.71073","MoKα","","0.0625","0.0586","","","0.1498","0.1533","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502241","6.9188","0.0003","27.2416","0.0013","14.3296","0.0007","90","","99.112","0.001","90","","2666.7","0.2","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N6 O8 -","- C28 H26 N6 O8 -","- C112 H104 N24 O32 -","4","1","","Ong, Wei Qiang; Zhao, Huaiqing; Fang, Xiao; Woen, Susanto; Zhou, Feng; Yap, Weiliang; Su, Haibin; Li, Sam F. Y.; Zeng, Huaqiang","Encapsulation of conventional and unconventional water dimers by water-binding foldamers.","Organic letters","2011","13","12","3194","3197","10.1021/ol2011083","","","0.71073","MoKα","","0.0786","0.0687","","","0.1771","0.1849","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502242","10.639","0.003","15.23","0.003","10.594","0.002","90","","107.204","0.004","90","","1639.8","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Bhat, Vikram; Mackay, James A.; Rawal, Viresh H.","Directed oxidative cyclizations to C2- or C4-positions of indole: efficient construction of the bicyclo[4.3.1]decane core of welwitindolinones.","Organic letters","2011","13","12","3214","3217","10.1021/ol201122f","","","0.71073","MoKα","","0.0348","0.0332","","","0.075","0.0758","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502243","11.6158","0.0005","10.8562","0.0004","14.9637","0.0006","90","","98.5362","0.0005","90","","1866.07","0.13","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","methyl (1,3-dimethyl-2-oxo-4,5-diphenylcyclopentyl)acetate","","- C22 H24 O3 -","- C22 H24 O3 -","- C88 H96 O12 -","4","1","","Wu, Yen-Ku; McDonald, Robert; West, F. G.","Homologous Mukaiyama reactions via trapping of the Nazarov intermediate with silyloxyalkenes.","Organic letters","2011","13","14","3584","3587","10.1021/ol201125h","","","0.71073","MoKα","","0.0419","0.0371","","","0.0976","0.1012","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502244","8.9761","0.0004","11.3076","0.0005","12.297","0.0005","63.7884","0.0005","78.2742","0.0005","73.1019","0.0005","1067.35","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H26 O3 -","- C27 H26 O3 -","- C54 H52 O6 -","2","1","","Wu, Yen-Ku; McDonald, Robert; West, F. G.","Homologous Mukaiyama reactions via trapping of the Nazarov intermediate with silyloxyalkenes.","Organic letters","2011","13","14","3584","3587","10.1021/ol201125h","","","0.71073","MoKα","","0.0511","0.0384","","","0.0895","0.0968","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502245","10.0314","0.0008","10.7337","0.0009","14.5403","0.0012","77.379","0.001","77.553","0.001","84.994","0.001","1490.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N2 O7 W -","- C32 H24 N2 O7 W -","- C64 H48 N4 O14 W2 -","2","1","","Luo, Ning; Zheng, Zhaoyan; Yu, Zhengkun","Highly regioselective [3 + 2] annulation of azomethine imines with 1-alkynyl Fischer carbene complexes to functionalized N,N-bicyclic pyrazolidin-3-ones.","Organic letters","2011","13","13","3384","3387","10.1021/ol201139w","","","0.71073","MoKα","","0.0466","0.0404","","","0.0918","0.0944","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502246","10.8866","0.0013","24.184","0.003","12.4957","0.0015","90","","108.261","0.002","90","","3124.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 Cr N2 O6 -","- C33 H26 Cr N2 O6 -","- C132 H104 Cr4 N8 O24 -","4","1","","Luo, Ning; Zheng, Zhaoyan; Yu, Zhengkun","Highly regioselective [3 + 2] annulation of azomethine imines with 1-alkynyl Fischer carbene complexes to functionalized N,N-bicyclic pyrazolidin-3-ones.","Organic letters","2011","13","13","3384","3387","10.1021/ol201139w","","","0.71073","MoKα","","0.1317","0.0502","","","0.1035","0.13","","","","","","0.93","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502247","18.698","0.003","6.3535","0.0004","13.0976","0.0017","90","","123.74","0.009","90","","1293.9","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","2,2-difluoro-3-(4-methoxyphenyl)-2H-benzo[e][1,3,2] oxazaborinin-3-ium-2-uide","","- C14 H12 B F2 N O2 -","- C14 H12 B F2 N O2 -","- C56 H48 B4 F8 N4 O8 -","4","1","","Frath, Denis; Azizi, Sébastien; Ulrich, Gilles; Retailleau, Pascal; Ziessel, Raymond","Facile synthesis of highly fluorescent Boranil complexes.","Organic letters","2011","13","13","3414","3417","10.1021/ol2011665","","","1.54187","CuKα","","0.1443","0.0849","","","0.2289","0.2804","","","","","","0.881","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502248","8.9782","0.0006","10.5876","0.0007","12.1442","0.0008","73.134","0.005","83.769","0.006","71.394","0.005","1046.84","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-(4-methoxyphenyl)-2,2-diphenyl-2H-benzo[e][1,3,2]oxazaborinin-3-ium-2-uide","","- C26 H22 B N O2 -","- C26 H22 B N O2 -","- C52 H44 B2 N2 O4 -","2","1","","Frath, Denis; Azizi, Sébastien; Ulrich, Gilles; Retailleau, Pascal; Ziessel, Raymond","Facile synthesis of highly fluorescent Boranil complexes.","Organic letters","2011","13","13","3414","3417","10.1021/ol2011665","","","1.54187","CuKα","","0.0658","0.0461","","","0.1204","0.1497","","","","","","1.121","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502249","5.03","0.002","8.843","0.004","11.54","0.005","90","","95.42","0.008","90","","511","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H19 N O -","- C10 H19 N O -","- C20 H38 N2 O2 -","2","1","","Song, Liyan; Liu, Kun; Li, Chaozhong","Efficient and regioselective 9-endo cyclization of α-carbamoyl radicals.","Organic letters","2011","13","13","3434","3437","10.1021/ol201180g","","","0.71073","MoKα","","0.0739","0.0703","","","0.1626","0.1644","","","","","","1.319","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502250","8.9146","0.0001","8.5388","0.0002","10.1252","0.0002","90","","106.47","0.001","90","","739.11","0.02","180","2","180","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","Stambuli1810","","","- C13 H26 O5 -","- C13 H26 O5 -","- C26 H52 O10 -","2","1","","Chellat, Mathieu F.; Proust, Nicolas; Lauer, Matthew G.; Stambuli, James P.","Synthesis of key fragments of leiodelide A.","Organic letters","2011","13","12","3246","3249","10.1021/ol201183f","","x-ray","0.71073","MoKα","","0.0443","0.0358","","","0.082","0.0865","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502251","10.3475","0.0007","26.926","0.0015","11.5981","0.0006","90","","107.361","0.006","90","","3084.2","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H52 B F4 O10 P2 Rh -","- C54 H52 B F4 O10 P2 Rh -","- C108 H104 B2 F8 O20 P4 Rh2 -","2","1","","Leseurre, Lucie; d'Herouville, Florent Le Boucher; Püntener, Kurt; Scalone, Michelangelo; Genêt, Jean-Pierre; Michelet, Véronique","Efficient route to atropisomeric ligands–application to the synthesis of MeOBIPHEP analogues.","Organic letters","2011","13","12","3250","3253","10.1021/ol2011874","","","0.7107","MoKα","","0.0761","0.0637","","","0.1757","0.1831","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502252","6.0126","0.0003","10.4102","0.0005","10.6716","0.0005","65.453","0.006","88.454","0.006","84.712","0.007","604.96","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C28 H30 N2 O6 -","2","1","","Chaiyaveij, Duangduan; Cleary, Leah; Batsanov, Andrei S.; Marder, Todd B.; Shea, Kenneth J.; Whiting, Andrew","Copper(II)-catalyzed room temperature aerobic oxidation of hydroxamic acids and hydrazides to acyl-nitroso and azo intermediates, and their Diels-Alder trapping.","Organic letters","2011","13","13","3442","3445","10.1021/ol201188d","","","0.71073","MOKα","","0.0436","0.0407","","","0.1122","0.1154","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502253","8.3176","0.0003","16.6568","0.0004","13.6584","0.0004","90","","90.566","0.007","90","","1892.21","0.1","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Chaiyaveij, Duangduan; Cleary, Leah; Batsanov, Andrei S.; Marder, Todd B.; Shea, Kenneth J.; Whiting, Andrew","Copper(II)-catalyzed room temperature aerobic oxidation of hydroxamic acids and hydrazides to acyl-nitroso and azo intermediates, and their Diels-Alder trapping.","Organic letters","2011","13","13","3442","3445","10.1021/ol201188d","","","0.71073","MoKα","","0.0503","0.039","","","0.0968","0.1061","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502254","9.135","0.006","10.753","0.007","13.533","0.008","78.378","0.008","85.363","0.008","84.178","0.008","1292.9","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N2 O3 S -","- C32 H28 N2 O3 S -","- C64 H56 N4 O6 S2 -","2","1","","Zhang, Yong-Qiang; Zhu, Dao-Yong; Jiao, Zhi-Wei; Li, Bao-Sheng; Zhang, Fu-Min; Tu, Yong-Qiang; Bi, Zhigang","Regiodivergent annulation of alkynyl indoles to construct spiro-pseudoindoxyl and tetrahydro-β-carbolines.","Organic letters","2011","13","13","3458","3461","10.1021/ol201194n","","","0.71073","MoKα","","0.1572","0.0822","","","0.1683","0.1992","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502255","14.625","0.005","18.877","0.006","15.507","0.006","90","","112.404","0.004","90","","3958","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N2 O5 S -","- C21 H20 N2 O5 S -","- C168 H160 N16 O40 S8 -","8","1","","Zhang, Yong-Qiang; Zhu, Dao-Yong; Jiao, Zhi-Wei; Li, Bao-Sheng; Zhang, Fu-Min; Tu, Yong-Qiang; Bi, Zhigang","Regiodivergent annulation of alkynyl indoles to construct spiro-pseudoindoxyl and tetrahydro-β-carbolines.","Organic letters","2011","13","13","3458","3461","10.1021/ol201194n","","","0.71073","MoKα","","0.1528","0.0532","","","0.1347","0.2007","","","","","","0.926","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502256","6.5965","0.0018","31.133","0.009","11.021","0.003","90","","100.454","0.002","90","","2225.8","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24.25 N2 O5 S -","- C24 H24.683 N2 O5 S -","- C96 H98.732 N8 O20 S4 -","4","1","","Zhang, Yong-Qiang; Zhu, Dao-Yong; Jiao, Zhi-Wei; Li, Bao-Sheng; Zhang, Fu-Min; Tu, Yong-Qiang; Bi, Zhigang","Regiodivergent annulation of alkynyl indoles to construct spiro-pseudoindoxyl and tetrahydro-β-carbolines.","Organic letters","2011","13","13","3458","3461","10.1021/ol201194n","","","0.71073","MoKα","","0.0737","0.049","","","0.0947","0.106","","","","","","0.965","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502257","7.8508","0.0003","6.932","0.0003","10.6342","0.0004","90","","90.905","0.003","90","","578.66","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C26 H32 O6 -","2","1","","Peed, Jennifer; Domínguez, Ignacio Periñán; Davies, Iwan R.; Cheeseman, Matt; Taylor, James E.; Kociok-Köhn, Gabriele; Bull, Steven D.","Asymmetric synthesis of chiral δ-lactones containing multiple contiguous stereocenters.","Organic letters","2011","13","14","3592","3595","10.1021/ol2012023","","","0.71073","MoKα","","0.0516","0.0392","","","0.0911","0.0975","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502258","10.7469","0.0004","12.9651","0.0005","17.9436","0.0008","88.426","0.003","87.15","0.003","68.296","0.004","2319.94","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O2 S -","- C28 H22 N2 O2 S -","- C112 H88 N8 O8 S4 -","4","2","","Zhu, Yuanxun; Wen, Shan; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang","Tandem reaction of propargyl alcohol and N-sulfonylhydrazone: synthesis of dihydropyrazole and its utility in the preparation of 3,3-diarylacrylonitrile.","Organic letters","2011","13","14","3553","3555","10.1021/ol201203g","","","0.71073","MoKα","","0.0646","0.0434","","","0.0986","0.1093","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502259","11.8881","0.0008","12.18","0.0007","12.2791","0.0007","110.189","0.005","102.272","0.005","113.776","0.006","1393.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N2 O2 S -","- C34 H26 N2 O2 S -","- C68 H52 N4 O4 S2 -","2","1","","Zhu, Yuanxun; Wen, Shan; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang","Tandem reaction of propargyl alcohol and N-sulfonylhydrazone: synthesis of dihydropyrazole and its utility in the preparation of 3,3-diarylacrylonitrile.","Organic letters","2011","13","14","3553","3555","10.1021/ol201203g","","","0.71073","MoKα","","0.0749","0.0444","","","0.0959","0.1098","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502260","9.6548","0.0007","10.4292","0.0008","12.491","0.001","102.367","0.007","103.256","0.006","95.325","0.006","1182.43","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O2 S -","- C28 H22 N2 O2 S -","- C56 H44 N4 O4 S2 -","2","1","","Zhu, Yuanxun; Wen, Shan; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang","Tandem reaction of propargyl alcohol and N-sulfonylhydrazone: synthesis of dihydropyrazole and its utility in the preparation of 3,3-diarylacrylonitrile.","Organic letters","2011","13","14","3553","3555","10.1021/ol201203g","","","1.54184","CuKα","","0.0494","0.0415","","","0.1092","0.1161","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502261","9.3604","0.0005","11.8162","0.0006","16.8778","0.001","96.449","0.004","100.349","0.004","112.149","0.004","1667.34","0.17","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H36 O2 -","- C46 H36 O2 -","- C92 H72 O4 -","2","1","","Zhang, Xiangdong; Ye, Junwei; Wang, Suning; Gong, Weitao; Lin, Yuan; Ning, Guiling","Heterocyclic radical mediated synthesis and fluorescence properties of conjugated polyene ketones.","Organic letters","2011","13","14","3608","3611","10.1021/ol201207b","","","0.71073","MoKα","","0.0987","0.0514","","","0.1231","0.1439","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502262","12.203","0.002","12.71","0.003","15.086","0.003","96.685","0.013","92.7","0.013","114.363","0.012","2105.3","0.8","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H42 O2 -","- C58 H42 O2 -","- C116 H84 O4 -","2","1","","Zhang, Xiangdong; Ye, Junwei; Wang, Suning; Gong, Weitao; Lin, Yuan; Ning, Guiling","Heterocyclic radical mediated synthesis and fluorescence properties of conjugated polyene ketones.","Organic letters","2011","13","14","3608","3611","10.1021/ol201207b","","","0.71073","MoKα","","0.0989","0.0484","","","0.1115","0.1305","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502263","12.969","0.004","8.948","0.002","15.068","0.004","90","","93.586","0.006","90","","1745.2","0.8","293","2","293","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C46 H34 O2 -","- C46 H34 O2 -","- C92 H68 O4 -","2","0.5","","Zhang, Xiangdong; Ye, Junwei; Wang, Suning; Gong, Weitao; Lin, Yuan; Ning, Guiling","Heterocyclic radical mediated synthesis and fluorescence properties of conjugated polyene ketones.","Organic letters","2011","13","14","3608","3611","10.1021/ol201207b","","","0.71073","MoKα","","0.1306","0.0544","","","0.1289","0.1625","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502264","14.327","0.004","20.05","0.004","18.357","0.004","90","","93.811","0.011","90","","5262","2","275","2","275","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C70 H50 O2 -","- C70 H50 O2 -","- C280 H200 O8 -","4","1","","Zhang, Xiangdong; Ye, Junwei; Wang, Suning; Gong, Weitao; Lin, Yuan; Ning, Guiling","Heterocyclic radical mediated synthesis and fluorescence properties of conjugated polyene ketones.","Organic letters","2011","13","14","3608","3611","10.1021/ol201207b","","","0.71073","MoKα","","0.1535","0.0901","","","0.2472","0.3082","","","","","","0.842","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502265","7.2726","0.0013","11.545","0.002","11.673","0.002","101.193","0.002","98.439","0.002","101.886","0.002","922.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","10154","","","- C19 H20 Br N O5 -","- C19 H20 Br N O5 -","- C38 H40 Br2 N2 O10 -","2","1","","Volp, Kelly A.; Johnson, Diane M.; Harned, Andrew M.","A concise synthetic approach to the sorbicillactones: total synthesis of sorbicillactone A and 9-epi-sorbicillactone A.","Organic letters","2011","13","17","4486","4489","10.1021/ol201211f","","","0.71073","MoKα","","0.0644","0.0384","","","0.0861","0.1001","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502266","5.8247","0.0005","13.4193","0.0012","19.193","0.0017","90","","90","","90","","1500.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","1","","Wang, Lu; Li, Guijie; Liu, Yuanhong","Gold-catalyzed deacylative cycloisomerization reactions of 3-acylindole/ynes: a new approach for carbazole synthesis.","Organic letters","2011","13","15","3786","3789","10.1021/ol2012154","","","0.71073","MoKα","","0.0409","0.0386","","","0.1066","0.1084","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502267","5.5936","0.0005","13.6523","0.0012","20.192","0.0017","90","","90","","90","","1542","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Wang, Lu; Li, Guijie; Liu, Yuanhong","Gold-catalyzed deacylative cycloisomerization reactions of 3-acylindole/ynes: a new approach for carbazole synthesis.","Organic letters","2011","13","15","3786","3789","10.1021/ol2012154","","","0.71073","MoKα","","0.04","0.0363","","","0.0875","0.0897","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502268","10.4555","0.0008","12.6948","0.001","15.6289","0.0012","83.987","0.001","80.628","0.001","89.673","0.001","2035.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","2","","Wang, Lu; Li, Guijie; Liu, Yuanhong","Gold-catalyzed deacylative cycloisomerization reactions of 3-acylindole/ynes: a new approach for carbazole synthesis.","Organic letters","2011","13","15","3786","3789","10.1021/ol2012154","","","0.71073","MoKα","","0.0773","0.0582","","","0.1625","0.1765","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502269","7.927","0.002","8.405","0.002","17.286","0.005","100.81","0.006","92.514","0.005","108.286","0.005","1067.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 N O2 -","- C24 H31 N O2 -","- C48 H62 N2 O4 -","2","1","","Wang, Lu; Li, Guijie; Liu, Yuanhong","Gold-catalyzed deacylative cycloisomerization reactions of 3-acylindole/ynes: a new approach for carbazole synthesis.","Organic letters","2011","13","15","3786","3789","10.1021/ol2012154","","","0.71073","MoKα","","0.1316","0.0767","","","0.2162","0.2527","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502270","7.646","0.003","8.643","0.003","14.822","0.003","78.542","0.011","86.513","0.015","63.789","0.008","860.9","0.5","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 F3 O4 -","- C19 H17 F3 O4 -","- C38 H34 F6 O8 -","2","1","","Kawatsura, Motoi; Namioka, Junya; Kajita, Koji; Yamamoto, Mitsuaki; Tsuji, Hiroaki; Itoh, Toshiyuki","Ruthenium-catalyzed regio- and stereoselective addition of carboxylic acids to aryl and trifluoromethyl group substituted unsymmetrical internal alkynes.","Organic letters","2011","13","12","3285","3287","10.1021/ol201238u","","","0.71075","MoKα","","","0.0466","","","","0.0994","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502271","11.5532","0.0007","12.746","0.0008","11.7436","0.0007","90","","91.738","0.002","90","","1728.53","0.18","173.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Yoshida, Masahiro; Sugimura, Chiyuki; Shishido, Kozo","Diastereoselective construction of 7-methylenebicyclo[3.2.1]oct-3-en-2-one derivatives by palladium-catalyzed cyclization of propargylic acetates with 2-oxocyclohex-3-enecarboxylates.","Organic letters","2011","13","13","3482","3485","10.1021/ol201243u","","","0.7107","MoKα","","","0.064","","","","0.093","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502272","10.1633","0.0002","9.93","0.0002","12.1706","0.0003","90","","96.277","0.001","90","","1220.91","0.05","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H41 N5 O3 -","- C23 H41 N5 O3 -","- C46 H82 N10 O6 -","2","1","","Medda, Amiya K.; Park, Chul Min; Jeon, Aram; Kim, Hyunwoo; Sohn, Jeong-Hun; Lee, Hee-Seung","A nonpeptidic reverse-turn scaffold stabilized by urea-based dual intramolecular hydrogen bonding.","Organic letters","2011","13","13","3486","3489","10.1021/ol201247x","","","0.71073","MoKα","","0.0417","0.0357","","","0.086","0.0904","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502273","9.928","0.003","10.295","0.003","17.911","0.005","90","","90","","90","","1830.7","0.9","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Shacklady-McAtee, Danielle M; Dasgupta, Srimoyee; Watson, Mary P.","Nickel(0)-catalyzed cyclization of N-benzoylaminals for isoindolinone synthesis.","Organic letters","2011","13","13","3490","3493","10.1021/ol201248c","","","0.71073","MoKα","","0.1002","0.0474","","","0.0819","0.098","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502274","9.8","0.004","9.819","0.004","21.005","0.008","79.398","0.011","80.237","0.011","79.763","0.012","1935.4","1.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 F3 N O2 -","- C24 H18 F3 N O2 -","- C96 H72 F12 N4 O8 -","4","2","","Nakamura, Itaru; Araki, Toshiharu; Zhang, Dong; Kudo, Yu; Kwon, Eunsang; Terada, Masahiro","Regioselective transformation of O-propargylic arylaldoximes to four-membered cyclic nitrones by copper-catalyzed skeletal rearrangement.","Organic letters","2011","13","14","3616","3619","10.1021/ol2012583","","","0.7107","MoKα","","","0.0603","","","","0.1783","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502275","12.1885","0.0002","21.5857","0.0004","23.1276","0.0004","90","","90","","90","","6084.81","0.18","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N2 O2 S -","- C22 H28 N2 O2 S -","- C264 H336 N24 O24 S12 -","12","3","","Hatcher, John M.; Kohler, Mark C.; Coltart, Don M.","Catalytic asymmetric addition of thiols to nitrosoalkenes leading to chiral non-racemic α-sulfenyl ketones.","Organic letters","2011","13","15","3810","3813","10.1021/ol2012633","","","0.71073","MoKα","","0.0582","0.0449","","","0.0987","0.1048","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502276","6.3321","0.0001","9.3119","0.0001","21.7921","0.0004","90","","90","","90","","1284.95","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O3 -","- C13 H14 Br N O3 -","- C52 H56 Br4 N4 O12 -","4","1","","Kwiatkowski, Piotr; Dudziński, Krzysztof; Łyżwa, Dawid","Effect of high pressure on the organocatalytic asymmetric Michael reaction: highly enantioselective synthesis of γ-nitroketones with quaternary stereogenic centers.","Organic letters","2011","13","14","3624","3627","10.1021/ol201275h","","","0.71073","MoKα","","0.0176","0.0166","","","0.0409","0.0418","","","","","","1.151","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502277","9.1006","0.0001","10.0753","0.0002","14.3954","0.0002","90","","90","","90","","1319.93","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C56 H60 Br4 N8 O8 -","4","1","","Kwiatkowski, Piotr; Dudziński, Krzysztof; Łyżwa, Dawid","Effect of high pressure on the organocatalytic asymmetric Michael reaction: highly enantioselective synthesis of γ-nitroketones with quaternary stereogenic centers.","Organic letters","2011","13","14","3624","3627","10.1021/ol201275h","","","0.71073","MoKα","","0.0173","0.0161","","","0.0399","0.0406","","","","","","1.103","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502278","10.36","0.03","14.78","0.04","13.66","0.04","90","","102.5","0.03","90","","2042","10","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br N3 O5 -","- C18 H17 Br N3 O5 -","- C72 H68 Br4 N12 O20 -","4","1","","Zhang, Gen; Zhang, Yaohu; Jiang, Xianxing; Yan, Wenjin; Wang, Rui","Highly enantioslective synthesis of multisubstituted polyfunctional dihydropyrrole via an organocatalytic tandem Michael/cyclization sequence.","Organic letters","2011","13","15","3806","3809","10.1021/ol201299u","","","0.71073","MoKα","","0.1381","0.0594","","","0.119","0.1545","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502279","8.5637","0.0013","12.1843","0.0018","15.3","0.002","90","","90","","90","","1596.4","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Kuang, Yulong; Liu, Xiaohua; Chang, Lu; Wang, Min; Lin, Lili; Feng, Xiaoming","Catalytic asymmetric conjugate allylation of coumarins.","Organic letters","2011","13","15","3814","3817","10.1021/ol201312y","","","1.54186","CuKα","","0.0352","0.0338","","","0.0718","0.0726","","","","","","1.15","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502280","10.4374","0.0004","10.5171","0.0004","11.037","0.0005","104.297","0.004","97.447","0.004","117.915","0.004","993.96","0.09","90","2","90","2","","","","","","","","2","P -1","-P 1","2","Compound 1","","","- C30 H18 -","- C30 H18 -","- C60 H36 -","2","1","","Korovina, Nadezhda V.; Chang, Michael L.; Nguyen, Trang T.; Fernandez, Ramiro; Walker, Heather J.; Olmstead, Marilyn M.; Gherman, Benjamin F.; Spence, John D.","Syntheses and reactivity of naphthalenyl-substituted arenediynes.","Organic letters","2011","13","14","3660","3663","10.1021/ol201317w","","","0.71073","MoKα","","0.044","0.04","","","0.1162","0.1209","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502281","10.0288","0.0004","15.9042","0.0006","15.9492","0.0006","115.647","0.002","107.906","0.002","91.763","0.002","2142.01","0.15","90","2","90","2","","","","","","","","3","P -1","-P 1","2","Compound 5a","","","- C61 H38 Cl2 -","- C61 H38 Cl2 -","- C122 H76 Cl4 -","2","1","","Korovina, Nadezhda V.; Chang, Michael L.; Nguyen, Trang T.; Fernandez, Ramiro; Walker, Heather J.; Olmstead, Marilyn M.; Gherman, Benjamin F.; Spence, John D.","Syntheses and reactivity of naphthalenyl-substituted arenediynes.","Organic letters","2011","13","14","3660","3663","10.1021/ol201317w","","","0.71073","MoKα","","0.0585","0.0462","","","0.1197","0.1284","","","","","","1.003","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502282","9.144","0.0018","8.9795","0.0018","11.155","0.002","90","","91.71","0.03","90","","915.5","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 N0 O4 S -","- C21 H24 O4 S -","- C42 H48 O8 S2 -","2","1","","Yang, Haishen; Gao, Yuzhe; Qiao, Xiaoxiao; Xie, Longguan; Xu, Xiaohua","Concise total synthesis of (-)-8-epigrosheimin.","Organic letters","2011","13","14","3670","3673","10.1021/ol201322w","","","0.71073","MoKα","","0.0393","0.0328","","","0.0784","0.081","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502283","10.645","0.002","10.645","0.002","22.016","0.006","90","","90","","120","","2160.5","0.8","123.1","","123.1","","","","","","","","","5","P 61","P 61","169","","","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C90 H114 N6 O12 S6 -","6","1","","Nishimura, Takahiro; Maeda, Yuko; Hayashi, Tamio","Chiral diene-phosphine tridentate ligands for rhodium-catalyzed asymmetric cycloisomerization of 1,6-enynes.","Organic letters","2011","13","14","3674","3677","10.1021/ol2013236","","","0.71075","MoKα","","","0.0448","","","","0.1224","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502284","9.9605","0.0002","11.4468","0.0003","13.0628","0.0003","111.413","0.002","100.86","0.0019","101.302","0.002","1303.38","0.06","100.3","","100.3","","","","","","","","","6","P 1","P 1","1","","","","- C27 H26 Br Cl3 N2 O2 -","- C27 H26 Br Cl3 N2 O2 -","- C54 H52 Br2 Cl6 N4 O4 -","2","2","","Jensen, Kim L.; Dickmeiss, Gustav; Donslund, Bjarke S.; Poulsen, Pernille H.; Jørgensen, Karl Anker","Asymmetric organocatalytic synthesis of complex cyclopenta[b]quinoline derivatives.","Organic letters","2011","13","14","3678","3681","10.1021/ol201328s","","x-ray","0.7107","MoKα","Kα","0.0362","0.0324","","","0.0793","0.0827","","","","","","1.009","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502285","10.376","0.003","7.525","0.002","11.906","0.004","90","","98.198","0.005","90","","920.1","0.5","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","Chinnar","","","- C20 H32 O2 -","- C20 H32 O2 -","- C40 H64 O4 -","2","1","","Kurhade, Suresh E.; Sanchawala, Abbas I.; Ravikumar, Velayutham; Bhuniya, Debnath; Reddy, D. Srinivasa","Total synthesis of isofregenedadiol.","Organic letters","2011","13","14","3690","3693","10.1021/ol201336x","","","0.71073","MoKα","","0.0845","0.0537","","","0.1286","0.1434","","","","","","1.031","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502286","10.3327","0.0006","15.1209","0.0008","11.5507","0.0006","90","","93.507","0.001","90","","1801.3","0.17","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","naka173","","- C22 H16 O4 Se -","- C22 H16 O4 Se -","- C88 H64 O16 Se4 -","4","1","","Ishii, Akihiko; Yamaguchi, Yuki; Nakata, Norio","Fluorescent 3-methylene-2,3-dihydrochalcogenophenes incorporated in a rigid dibenzobarrelene skeleton.","Organic letters","2011","13","14","3702","3705","10.1021/ol2013523","","","0.71073","MoKα","","0.0363","0.0307","","","0.0802","0.0832","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502287","10.2288","0.0006","14.8538","0.0008","11.6838","0.0006","90","","93.302","0.001","90","","1772.25","0.17","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","naka241","","- C22 H16 O4 S -","- C22 H16 O4 S -","- C88 H64 O16 S4 -","4","1","","Ishii, Akihiko; Yamaguchi, Yuki; Nakata, Norio","Fluorescent 3-methylene-2,3-dihydrochalcogenophenes incorporated in a rigid dibenzobarrelene skeleton.","Organic letters","2011","13","14","3702","3705","10.1021/ol2013523","","","0.71073","MoKα","","0.0485","0.0432","","","0.1023","0.1056","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502288","11.107","0.003","11.293","0.003","17.863","0.004","99.8139","0.0017","103.735","0.003","106.164","0.003","2022.2","0.9","113.1","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H47 Cl2 N3 O9 Pd -","- C43 H47 Cl2 N3 O9 Pd -","- C86 H94 Cl4 N6 O18 Pd2 -","2","1","","Suzaki, Yuji; Shimada, Kyoichi; Chihara, Eriko; Saito, Takashi; Tsuchido, Yoshitaka; Osakada, Kohtaro","[3]Rotaxane-based dinuclear palladium catalysts for ring-closure Mizoroki-Heck reaction.","Organic letters","2011","13","15","3774","3777","10.1021/ol201357b","","","0.7107","MoKα","","","0.0403","","","","0.0475","","","","","","0.766","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502289","4.8822","0.0005","14.1165","0.0015","10.0699","0.0011","90","","93.89","0.002","90","","692.41","0.13","223","2","223","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H10 F2 N2 O5 -","- C15 H10 F2 N2 O5 -","- C30 H20 F4 N4 O10 -","2","1","","Ren, Changliang; Xu, Shengyu; Xu, Jun; Chen, Hongyu; Zeng, Huaqiang","Planar macrocyclic fluoropentamers as supramolecular organogelators.","Organic letters","2011","13","15","3840","3843","10.1021/ol201361f","","","0.71073","MoKα","","0.0648","0.0552","","","0.1425","0.1498","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502290","11.1986","0.0002","12.092","0.0002","23.6","0.0004","90","","90","","90","","3195.76","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O14 -","- C29 H36 O14 -","- C116 H144 O56 -","4","1","","Shi, Yi-Ming; Li, Xing-Yao; Li, Xiao-Nian; Luo, Xiao; Xue, Yong-Bo; Liang, Cheng-Qin; Zou, Juan; Kong, Ling-Mei; Li, Yan; Pu, Jian-Xin; Xiao, Wei-Lie; Sun, Han-Dong","Schicagenins A-C: three cagelike nortriterpenoids from leaves and stems of Schisandra chinensis.","Organic letters","2011","13","15","3848","3851","10.1021/ol201366d","","","1.54178","CuKα","","0.0538","0.0527","","","0.1589","0.1606","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502291","9.1634","0.0018","15.94","0.003","28.513","0.006","90","","90","","90","","4164.7","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H43 Cl3 N2 O18 -","- C34 H43 Cl3 N2 O18 -","- C136 H172 Cl12 N8 O72 -","4","1","","Jung, Michael E.; Koch, Pierre","An efficient synthesis of the protected carbohydrate moiety of Brasilicardin A.","Organic letters","2011","13","14","3710","3713","10.1021/ol2013704","","","0.71073","MoKα","","0.077","0.0503","","","0.0992","0.1074","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502292","10.813","0.0007","6.7024","0.0004","20.2381","0.0011","90","","92.626","0.004","90","","1465.18","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","K-75 2-chloro-3-(4-methoxyphenyl)-4-aminoquinazolinium chloride","","- C15 H13 Cl2 N3 O -","- C15 H13 Cl2 N3 O -","- C60 H52 Cl8 N12 O4 -","4","1","","Naganaboina, Vijaya Kumar; Chandra, Kusum Lata; Desper, John; Rayat, Sundeep","An easy entry into 2-halo-3-aryl-4(3H)-quinazoliniminium halides from heteroenyne-allenes.","Organic letters","2011","13","14","3718","3721","10.1021/ol201372n","","","0.71073","MoKα","","0.1058","0.0756","","","0.1805","0.1983","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502293","5.1581","0.0012","9.443","0.002","12.776","0.003","90","","94.844","0.016","90","","620.1","0.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C26 H40 O6 -","2","1","","Lin, Lili; Kuang, Yulong; Liu, Xiaohua; Feng, Xiaoming","Indium(III)-catalyzed asymmetric hetero-Diels-Alder reaction of Brassard-type diene with aliphatic aldehydes.","Organic letters","2011","13","15","3868","3871","10.1021/ol2013999","","","1.54186","CuKα","","0.1002","0.0668","","","0.1051","0.125","","","","","","0.911","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502294","5.9124","0.0001","11.5275","0.0002","30.0634","0.0004","90","","90","","90","","2048.98","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C96 H104 N8 O24 -","4","1","","Zhao, Bing-Xin; Wang, Ying; Zhang, Dong-Mei; Jiang, Ren-Wang; Wang, Guo-Cai; Shi, Jun-Min; Huang, Xiao-Jun; Chen, Wei-Min; Che, Chun-Tao; Ye, Wen-Cai","Flueggines A and B, two new dimeric indolizidine alkaloids from Flueggea virosa.","Organic letters","2011","13","15","3888","3891","10.1021/ol201410z","","","1.54184","CuKα","","0.0242","0.0236","","","0.0597","0.0601","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502295","7.4783","0.0006","11.5713","0.0008","13.3812","0.0009","107.895","0.006","90.072","0.006","93.959","0.006","1098.97","0.14","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H31 N2 O6.5 -","- C24 H31 N2 O6.5 -","- C48 H62 N4 O13 -","2","2","","Zhao, Bing-Xin; Wang, Ying; Zhang, Dong-Mei; Jiang, Ren-Wang; Wang, Guo-Cai; Shi, Jun-Min; Huang, Xiao-Jun; Chen, Wei-Min; Che, Chun-Tao; Ye, Wen-Cai","Flueggines A and B, Two New Dimeric Indolizidine Alkaloids from Flueggea virosa","Organic Letters","2011","13","15","3888","3891","10.1021/ol201410z","","","1.54184","CuKα","","0.0492","0.0441","","","0.1078","0.1172","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502296","14.318","0.003","14.58","0.003","33.48","0.007","96.488","0.004","91.367","0.004","114.487","0.004","6300","2","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H63 N3 S18 -","- C54 H9 N3 S18 -","- C216 H36 N12 S72 -","4","2","","Takase, Masayoshi; Yoshida, Naofumi; Nishinaga, Tohru; Iyoda, Masahiko","Star-shaped pyrrole-fused tetrathiafulvalene oligomers: synthesis and redox, self-assembling, and conductive properties.","Organic letters","2011","13","15","3896","3899","10.1021/ol2014279","","","0.71073","MoKα","","0.3186","0.1044","","","0.1944","0.2993","","","","","","0.93","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502297","9.892","0.002","11.591","0.002","14.767","0.003","90","","98.618","0.005","90","","1674","0.6","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H39 Cl N2 O3 S -","- C37 H33 Cl N2 O2 S -","- C74 H66 Cl2 N4 O4 S2 -","2","1","","Jung, Hyung Hoon; Buesking, Andrew W.; Ellman, Jonathan A.","Highly functional group compatible Rh-catalyzed addition of arylboroxines to activated N-tert-butanesulfinyl ketimines.","Organic letters","2011","13","15","3912","3915","10.1021/ol201438k","","","0.71075","MoKα","","0.1223","0.0738","","","0.1314","0.1479","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502298","9.7813","0.0005","7.8382","0.0004","18.103","0.001","90","","90.163","0.004","90","","1387.91","0.13","90","0.3","90","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 N10 O13 -","- C23 H26 N10 O13 -","- C46 H52 N20 O26 -","2","1","","Williams, David E.; Dalisay, Doralyn S.; Patrick, Brian O.; Matainaho, Teatulohi; Andrusiak, Kerry; Deshpande, Raamesh; Myers, Chad L.; Piotrowski, Jeff S.; Boone, Charles; Yoshida, Minoru; Andersen, Raymond J.","Padanamides A and B, highly modified linear tetrapeptides produced in culture by a Streptomyces sp. isolated from a marine sediment.","Organic letters","2011","13","15","3936","3939","10.1021/ol2014494","","","1.54178","CuKα","","0.0656","0.0555","","","0.1382","0.145","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502299","7.9106","0.0002","11.5982","0.0003","22.2085","0.0006","90","","90","","90","","2037.6","0.09","90","0.1","90","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N3 O8 -","- C19 H23 N3 O8 -","- C76 H92 N12 O32 -","4","1","","Williams, David E.; Dalisay, Doralyn S.; Patrick, Brian O.; Matainaho, Teatulohi; Andrusiak, Kerry; Deshpande, Raamesh; Myers, Chad L.; Piotrowski, Jeff S.; Boone, Charles; Yoshida, Minoru; Andersen, Raymond J.","Padanamides A and B, highly modified linear tetrapeptides produced in culture by a Streptomyces sp. isolated from a marine sediment.","Organic letters","2011","13","15","3936","3939","10.1021/ol2014494","","","1.54178","CuKα","","0.0262","0.026","","","0.0662","0.0664","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502300","53.785","0.003","8.059","0.0004","18.4575","0.0009","90","","107.258","0.003","90","","7640.3","0.7","90","0.1","90","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H21.5 N6.5 O7 -","- C16 H21.5 N6.5 O7 -","- C256 H344 N104 O112 -","16","4","","Williams, David E.; Dalisay, Doralyn S.; Patrick, Brian O.; Matainaho, Teatulohi; Andrusiak, Kerry; Deshpande, Raamesh; Myers, Chad L.; Piotrowski, Jeff S.; Boone, Charles; Yoshida, Minoru; Andersen, Raymond J.","Padanamides A and B, highly modified linear tetrapeptides produced in culture by a Streptomyces sp. isolated from a marine sediment.","Organic letters","2011","13","15","3936","3939","10.1021/ol2014494","","","1.54178","CuKα","","0.0654","0.0533","","","0.1225","0.1305","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502301","6.8458","0.0002","8.1555","0.0003","27.3235","0.0009","90","","90","","90","","1525.5","0.09","90","0.1","90","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N3 O7 -","- C13 H17 N3 O7 -","- C52 H68 N12 O28 -","4","1","","Williams, David E.; Dalisay, Doralyn S.; Patrick, Brian O.; Matainaho, Teatulohi; Andrusiak, Kerry; Deshpande, Raamesh; Myers, Chad L.; Piotrowski, Jeff S.; Boone, Charles; Yoshida, Minoru; Andersen, Raymond J.","Padanamides A and B, highly modified linear tetrapeptides produced in culture by a Streptomyces sp. isolated from a marine sediment.","Organic letters","2011","13","15","3936","3939","10.1021/ol2014494","","","1.54178","CuKα","","0.0233","0.0232","","","0.0626","0.0627","","","","","","1.075","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502302","11.3164","0.0005","12.8458","0.0006","17.4968","0.0007","104.458","0.0013","99.5137","0.0013","92.1125","0.0014","2420.91","0.18","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H54 N O7 P2 Rh -","- C57 H54 N O7 P2 Rh -","- C114 H108 N2 O14 P4 Rh2 -","2","1","","Sakai, Kazunori; Kochi, Takuya; Kakiuchi, Fumitoshi","Rhodium-catalyzed anti-Markovnikov addition of secondary amines to arylacetylenes at room temperature.","Organic letters","2011","13","15","3928","3931","10.1021/ol201453h","","","0.71075","MoKα","","0.0712","0.0448","","","0.0805","0.1099","","","","","","1.101","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502303","9.2779","0.0013","9.5225","0.0013","12.6163","0.0014","90.857","0.01","99.261","0.01","113.392","0.013","1005.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 F O2 S2 -","- C23 H19 F O2 S2 -","- C46 H38 F2 O4 S4 -","2","1","","Chowdhury, Sushobhan; Nandi, Ganesh Chandra; Samai, Subhasis; Singh, Maya Shankar","Regioselective synthesis of tetrahydrothiochromen-5-ones via a one-pot three-component solvent-free domino protocol.","Organic letters","2011","13","14","3762","3765","10.1021/ol201458q","","","0.71073","MoKα","","0.1922","0.0853","","","0.1905","0.2663","","","","","","1.003","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502304","8.3376","0.0002","10.1962","0.0002","16.0046","0.0003","77.913","0.001","85.229","0.001","89.651","0.001","1325.72","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 O6 S3 -","- C27 H24 O6 S3 -","- C54 H48 O12 S6 -","2","1","","Chen, Jia-Hong; Wang, Shao-An; Liu, Yi-Hung; Wong, Ken-Tsung","Synthesis and properties of novel C3-symmetric coplanar chromophores.","Organic letters","2011","13","16","4168","4171","10.1021/ol201466z","","","0.71073","MoKα","","0.1021","0.0586","","","0.1552","0.1959","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502305","22.5627","0.0001","22.5627","0.0001","43.5749","0.0005","90","","90","","120","","19211","0.3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C155 H135 Cl9 O2 S6 -","- C154.98 H135 Cl9 O1.99 S6 -","- C929.88 H810 Cl54 O11.94 S36 -","6","0.333333","","Chen, Jia-Hong; Wang, Shao-An; Liu, Yi-Hung; Wong, Ken-Tsung","Synthesis and properties of novel C3-symmetric coplanar chromophores.","Organic letters","2011","13","16","4168","4171","10.1021/ol201466z","","","1.54178","CuKα","","0.085","0.0642","","","0.1852","0.2016","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502306","48.802","0.001","9.1918","0.0002","39.5359","0.0007","90","","123.36","0.002","90","","14812.8","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H96 S3 Si3 -","- C84 H96 S3 Si3 -","- C672 H768 S24 Si24 -","8","1","","Chen, Jia-Hong; Wang, Shao-An; Liu, Yi-Hung; Wong, Ken-Tsung","Synthesis and properties of novel C3-symmetric coplanar chromophores.","Organic letters","2011","13","16","4168","4171","10.1021/ol201466z","","","1.54178","CuKα","","0.0658","0.0572","","","0.1584","0.1675","","","","","","1.023","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502307","7.03389","0.00014","8.73956","0.00018","32.833","0.0007","90","","93.7759","0.0018","90","","2013.97","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 N2 O14 -","- C42 H50 N2 O14 -","- C84 H100 N4 O28 -","2","0.5","","Niu, Zhenbin; Slebodnick, Carla; Schoonover, Daniel; Azurmendi, Hugo; Harich, Kim; Gibson, Harry W.","Pseudocryptand-type [2]pseudorotaxanes based on bis(meta-phenylene)-32-crown-10 derivatives and paraquats with remarkably improved association constants.","Organic letters","2011","13","15","3992","3995","10.1021/ol201502r","","x-ray","1.54178","CuKα","","0.0452","0.041","","","0.1069","0.1108","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502308","20.4716","0.0003","12.92677","0.00017","26.7661","0.0004","90","","93.5313","0.0013","90","","7069.71","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H77 F18 N5 O15 P3 -","- C63 H77 F18 N5 O15 P3 -","- C252 H308 F72 N20 O60 P12 -","4","1","","Niu, Zhenbin; Slebodnick, Carla; Schoonover, Daniel; Azurmendi, Hugo; Harich, Kim; Gibson, Harry W.","Pseudocryptand-type [2]pseudorotaxanes based on bis(meta-phenylene)-32-crown-10 derivatives and paraquats with remarkably improved association constants.","Organic letters","2011","13","15","3992","3995","10.1021/ol201502r","","x-ray","1.54178","CuKα","","0.074","0.0638","","","0.1792","0.1892","","","","","","1.078","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502309","10.4472","0.0003","31.1654","0.0017","21.6799","0.0009","90","","98.224","0.004","90","","6986.2","0.5","100.1","","100.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H66 F12 N6 O14 P2 -","- C60 H66 F12 N6 O14 P2 -","- C240 H264 F48 N24 O56 P8 -","4","1","","Niu, Zhenbin; Slebodnick, Carla; Schoonover, Daniel; Azurmendi, Hugo; Harich, Kim; Gibson, Harry W.","Pseudocryptand-type [2]pseudorotaxanes based on bis(meta-phenylene)-32-crown-10 derivatives and paraquats with remarkably improved association constants.","Organic letters","2011","13","15","3992","3995","10.1021/ol201502r","","x-ray","1.54178","CuKα","","0.1292","0.0938","","","0.2604","0.2844","","","","","","1.051","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502310","10.677","0.0002","31.7992","0.0007","21.0198","0.0005","90","","97.495","0.002","90","","7075.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67.56 H76.33 F12 N6.78 O14 P2 -","- C67.556 H76.334 F12 N6.778 O14 P2 -","- C270.224 H305.336 F48 N27.112 O56 P8 -","4","1","","Niu, Zhenbin; Slebodnick, Carla; Schoonover, Daniel; Azurmendi, Hugo; Harich, Kim; Gibson, Harry W.","Pseudocryptand-type [2]pseudorotaxanes based on bis(meta-phenylene)-32-crown-10 derivatives and paraquats with remarkably improved association constants.","Organic letters","2011","13","15","3992","3995","10.1021/ol201502r","","x-ray","0.71073","MoKα","","0.0913","0.0646","","","0.1619","0.1837","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502311","9.9829","0.0003","7.6696","0.0003","19.7014","0.0006","90","","93.905","0.002","90","","1504.93","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Briones, John F.; Davies, Huw M. L.","Silver triflate-catalyzed cyclopropenation of internal alkynes with donor-/acceptor-substituted diazo compounds.","Organic letters","2011","13","15","3984","3987","10.1021/ol201503j","","","1.54178","CuKα","","0.0369","0.0356","","","0.0932","0.0944","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502312","7.0411","0.0005","8.8042","0.0005","13.9063","0.0009","90","","92.013","0.004","90","","861.54","0.1","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C34 H50 N2 O6 S2 -","2","1","","Söderman, Stefan C; Schwan, Adrian L.","The diastereoselective alkylation of arenesulfenate anions using homochiral electrophiles.","Organic letters","2011","13","16","4192","4195","10.1021/ol201508e","","","0.71073","MoKα","","0.081","0.0544","","","0.1233","0.139","","","","","","1.058","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502313","13.2033","0.0003","19.022","0.0004","30.5196","0.0006","87.879","0.002","86.34","0.002","75.761","0.002","7412.7","0.3","119.9","","119.9","","","","","","","","","5","P -1","-P 1","2","","","","- C156 H199 Cl2 N29 O14.93 -","- C156 H199 Cl2 N29 O14.93 -","- C312 H398 Cl4 N58 O29.86 -","2","1","","Havel, Vaclav; Svec, Jan; Wimmerova, Michaela; Dusek, Michal; Pojarova, Michaela; Sindelar, Vladimir","Bambus[n]urils: a new family of macrocyclic anion receptors.","Organic letters","2011","13","15","4000","4003","10.1021/ol201515c","","","1.5418","CuKα","","0.166","0.1493","","","0.3857","0.3947","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502314","13.2454","","13.5102","","29.984","","85.77","","83.333","","66.044","","4868.12","","119.9","","119.9","","","","","","","","","5","P -1","-P 1","2","","","","- C85 H149 I N25 O17 -","- C84.9999 H149 I N25 O17 -","- C170 H298 I2 N50 O34 -","2","1","","Havel, Vaclav; Svec, Jan; Wimmerova, Michaela; Dusek, Michal; Pojarova, Michaela; Sindelar, Vladimir","Bambus[n]urils: a new family of macrocyclic anion receptors.","Organic letters","2011","13","15","4000","4003","10.1021/ol201515c","","","1.54178","CuKα","","0.1873","0.1504","","","0.1838","0.1876","","","","5.22","5.22","4.42","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502315","11.8221","0.0004","14.9512","0.0004","21.7562","0.0005","90.37","0.002","96.069","0.002","110.902","0.003","3568.27","0.19","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C80 H79.59 N18 O8.79 -","- C80 H79.588 N18 O8.794 -","- C160 H159.176 N36 O17.588 -","2","1","","Havel, Vaclav; Svec, Jan; Wimmerova, Michaela; Dusek, Michal; Pojarova, Michaela; Sindelar, Vladimir","Bambus[n]urils: a new family of macrocyclic anion receptors.","Organic letters","2011","13","15","4000","4003","10.1021/ol201515c","","","1.54184","CuKα","","0.0522","0.0398","","","0.1049","0.1116","","","","1.92","1.92","1.81","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502316","5.176","0.0002","9.5637","0.0004","44.8293","0.0018","90","","90","","90","","2219.13","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl N O5 S -","- C23 H24 Cl N O5 S -","- C92 H96 Cl4 N4 O20 S4 -","4","1","","Medeiros, Matthew R.; Schaus, Scott E.; Porco, Jr, John A","A cycloisomerization/Friedel-Crafts alkylation strategy for the synthesis of pyrano[3,4-b]indoles.","Organic letters","2011","13","15","4012","4015","10.1021/ol201532k","","","1.54178","CuKα","","0.039","0.0384","","","0.1022","0.1027","","","","","","1.145","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502317","13.8192","0.0006","5.693","0.0002","14.7334","0.0006","90","","116.69","0.001","90","","1035.61","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C46 H50 N2 O10 S2 -","2","1","","Medeiros, Matthew R.; Schaus, Scott E.; Porco, Jr, John A","A cycloisomerization/Friedel-Crafts alkylation strategy for the synthesis of pyrano[3,4-b]indoles.","Organic letters","2011","13","15","4012","4015","10.1021/ol201532k","","","1.54178","CuKα","","0.0235","0.0234","","","0.0609","0.0611","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502318","10.9585","0.0014","8.8553","0.0012","15.429","0.002","90","","109.564","0.002","90","","1410.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cl N2 -","- C18 H11 Cl N2 -","- C72 H44 Cl4 N8 -","4","1","","Wang, Chao; Flanigan, Darrin M.; Zakharov, Lev N.; Blakemore, Paul R.","Synthesis of 7,7'-dihydroxy-8,8'-biquinolyl (azaBINOL) via Pd-catalyzed directed double C-H functionalization of 8,8'-biquinolyl: emergence of an atropos from a tropos state.","Organic letters","2011","13","15","4024","4027","10.1021/ol201539d","","","0.71073","MoKα","","0.0597","0.0514","","","0.1427","0.1493","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502319","11.968","0.0008","19.9487","0.0013","9.6958","0.0007","90","","106.578","0.001","90","","2218.6","0.3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 O3 -","- C27 H26 O3 -","- C108 H104 O12 -","4","1","","Inami, Tasuku; Sako, Saori; Kurahashi, Takuya; Matsubara, Seijiro","Methylenecyclopropanes in [4+1] cycloaddition with enones.","Organic letters","2011","13","15","3837","3839","10.1021/ol201540b","","","0.71073","MoKα","","0.0764","0.0628","","","0.219","0.2446","","","","","","0.99","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502320","8.265","0.0017","6.753","0.0014","14.254","0.003","90","","103.68","0.03","90","","773","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H12 Cl N O2 -","- C20 H12 Cl N O2 -","- C40 H24 Cl2 N2 O4 -","2","0.5","","Fei, Na; Yin, Hao; Wang, Shaozhong; Wang, Huaqin; Yao, Zhu-Jun","CuCl2-promoted 6-endo-dig chlorocyclization and oxidative aromatization cascade: efficient construction of 1-azaanthraquinones from N-propargylaminoquinones.","Organic letters","2011","13","16","4208","4211","10.1021/ol201542h","","","0.71073","MoKα","","0.0777","0.0533","","","0.1362","0.1538","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502321","27.989","0.003","9.0736","0.0009","9.4414","0.001","90","","90","","90","","2397.7","0.4","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C96 H144 O32 -","8","1","","Hao, Hong-Dong; Li, Yun; Han, Wei-Bo; Wu, Yikang","A hydrogen peroxide based access to qinghaosu (artemisinin).","Organic letters","2011","13","16","4212","4215","10.1021/ol2015434","","","0.71073","MoKα","","0.0886","0.0607","","","0.1641","0.1818","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502322","9.0867","0.0018","12.11","0.002","13.383","0.003","90","","90","","90","","1472.7","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Hao, Hong-Dong; Li, Yun; Han, Wei-Bo; Wu, Yikang","A hydrogen peroxide based access to qinghaosu (artemisinin).","Organic letters","2011","13","16","4212","4215","10.1021/ol2015434","","","0.71073","MoKα","","0.0489","0.0432","","","0.1077","0.1119","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502323","9.481","0.0003","12.997","0.0004","21.734","0.0005","97.541","0.0017","100.665","0.0017","110.165","0.0012","2414.73","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 F6 O10 S6 -","- C42 H50 F6 O10 S6 -","- C84 H100 F12 O20 S12 -","2","1","","Kundrat, Ondrej; Eigner, Vaclav; Dvorakova, Hana; Lhotak, Pavel","S-alkylation of thiacalixarenes: a long-neglected possibility in the calixarene family.","Organic letters","2011","13","15","4032","4035","10.1021/ol201546y","","","0.71073","MoKα","","0.1064","0.0846","","0.2798","0.2697","0.2798","","","","","","0.9736","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502324","13.505","0.003","6.1813","0.0011","15.804","0.003","90","","93.51","0.004","90","","1316.8","0.5","108","2","108","2","","","","","","","","5","P 1 21 1","P 2yb","4","l-8a.p-Br-benzoic acid 1:0.25 clathrate","","","- C25.75 H23 Br0.25 N2 O5.5 -","- C25.75 H23 Br0.25 N2 O5.5 -","- C51.5 H46 Br0.5 N4 O11 -","2","1","","Varga, Szilárd; Jakab, Gergely; Drahos, László; Holczbauer, Tamás; Czugler, Mátyás; Soós, Tibor","Double diastereocontrol in bifunctional thiourea organocatalysis: iterative Michael-Michael-Henry sequence regulated by the configuration of chiral catalysts.","Organic letters","2011","13","20","5416","5419","10.1021/ol201559j","","","0.56089","AgKα","","0.1179","0.0971","","","0.2565","0.2759","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502325","6.0225","0.0001","19.0267","0.0004","21.5818","0.0004","90","","90","","90","","2473.02","0.08","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N2 O7 -","- C26 H30 N2 O7 -","- C104 H120 N8 O28 -","4","1","","Varga, Szilárd; Jakab, Gergely; Drahos, László; Holczbauer, Tamás; Czugler, Mátyás; Soós, Tibor","Double diastereocontrol in bifunctional thiourea organocatalysis: iterative Michael-Michael-Henry sequence regulated by the configuration of chiral catalysts.","Organic letters","2011","13","20","5416","5419","10.1021/ol201559j","","","1.54187","CuKα","","0.0989","0.0539","","","0.1157","0.1688","","","","","","1.126","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502326","8.1082","0.0003","8.129","0.0003","12.9822","0.0005","79.872","0.002","85.732","0.002","61.496","0.002","740.19","0.05","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O8 -","- C17 H14 O8 -","- C34 H28 O16 -","2","1","","Yu, Min; Snider, Barry B.","Syntheses of chloroisosulochrin and isosulochrin and biomimetic elaboration to maldoxin, maldoxone, dihydromaldoxin, and dechlorodihydromaldoxin.","Organic letters","2011","13","16","4224","4227","10.1021/ol201561w","","","0.71073","MoKα","","0.0376","0.0362","","0.0937","0.0896","0.0937","","","","","","1.0193","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502327","13.5694","0.0005","17.621","0.0006","24.7835","0.0009","90","","101.814","0.001","90","","5800.4","0.4","125","2","125","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H28.5 F3 I N3 O1.75 -","- C26 H21 F3 I N3 O -","- C208 H168 F24 I8 N24 O8 -","8","4","","Vu, Jenny M Baxter; Leighton, James L.","A new synthesis of pyrrolidines by way of an enantioselective Mannich/diastereoselective hydroamination reaction sequence.","Organic letters","2011","13","15","4056","4059","10.1021/ol201566u","","","0.71073","MoKα","","0.0618","0.042","","","0.0912","0.0979","","","","","","0.986","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502328","10.1304","0.0017","11.4","0.002","17.702","0.003","76.36","0.003","85.057","0.003","71.691","0.003","1886","0.6","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C96 H88 O12 -","4","2","","Basheer, Ahmad; Mishima, Masaaki; Marek, Ilan","Regioselective carbon-carbon bond cleavage in the oxidation of cyclopropenylcarbinols.","Organic letters","2011","13","15","4076","4079","10.1021/ol201581c","","","0.71073","MoKα","","0.1603","0.0843","","","0.1694","0.1994","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502329","9.415","0.002","9.448","0.002","20.671","0.004","76.93","0.02","82.6","0.02","62.75","0.02","1591.7","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Marek-61(Ahmed)","","","- C38 H36 O2 Si -","- C38 H36 O2 Si -","- C76 H72 O4 Si2 -","2","1","","Basheer, Ahmad; Mishima, Masaaki; Marek, Ilan","Regioselective carbon-carbon bond cleavage in the oxidation of cyclopropenylcarbinols.","Organic letters","2011","13","15","4076","4079","10.1021/ol201581c","","","0.71073","MoKα","","0.0732","0.0589","","","0.1509","0.1598","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502330","20.496","0.007","18.931","0.005","15.444","0.005","90","","108.178","0.006","90","","5693","3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H22 O5 -","- C31 H22 O5 -","- C248 H176 O40 -","8","1","","Fan, Yukai; Feng, Pengju; Liu, Mao; Pan, Hongjie; Shi, Yian","A concise approach to the dalesconol skeleton.","Organic letters","2011","13","17","4494","4497","10.1021/ol2015847","","","0.71073","MoKα","","0.1152","0.0827","","","0.2337","0.2539","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502331","7.7247","0.0015","14.258","0.003","22.761","0.005","84.359","0.006","87.427","0.007","87.679","0.006","2490.6","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H28 O6 -","- C33 H28 O6 -","- C132 H112 O24 -","4","2","","Fan, Yukai; Feng, Pengju; Liu, Mao; Pan, Hongjie; Shi, Yian","A concise approach to the dalesconol skeleton.","Organic letters","2011","13","17","4494","4497","10.1021/ol2015847","","","0.71073","MoKα","","0.098","0.0825","","","0.1774","0.1859","","","","","","1.159","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502332","8.1397","0.0008","32.018","0.003","9.9603","0.0011","90","","97.59","0.007","90","","2573.1","0.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H28 O6 -","- C33 H28 O6 -","- C132 H112 O24 -","4","2","","Fan, Yukai; Feng, Pengju; Liu, Mao; Pan, Hongjie; Shi, Yian","A concise approach to the dalesconol skeleton.","Organic letters","2011","13","17","4494","4497","10.1021/ol2015847","","","1.54186","CuKα","","0.0649","0.0579","","","0.1397","0.1469","","","","","","1.144","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502333","7.5028","0.0004","5.9354","0.0003","25.0935","0.0014","90","","90.569","0.004","90","","1117.41","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O6 S -","- C23 H30 N2 O6 S -","- C46 H60 N4 O12 S2 -","2","1","","Peña-López, Miguel; Martínez, M. Montserrat; Sarandeses, Luis A.; Sestelo, José Pérez","A Versatile Enantioselective Synthesis of Barrenazines","Organic Letters","2011","13","15","4151","","10.1021/ol201592g","","","0.71073","MoKα","","0.0604","0.0504","","","0.1137","0.1205","","","","","","1.027","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502334","7.6826","0.0007","11.6731","0.0011","21.484","0.002","90","","90","","90","","1926.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Br O3 -","- C24 H17 Br O3 -","- C96 H68 Br4 O12 -","4","1","","Rong, Zi-Qiang; Jia, Min-Qiang; You, Shu-Li","Enantioselective N-heterocyclic carbene-catalyzed Michael addition to α,β-unsaturated aldehydes by redox oxidation.","Organic letters","2011","13","15","4080","4083","10.1021/ol201595f","","","0.71073","MoKα","","0.0334","0.0287","","","0.069","0.0707","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502335","8.429","0.007","9.844","0.007","27.51","0.02","90","","105.68","0.05","90","","2198","3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-3-(4-(dimethylamino)styryl)-5,5-difluoro-8-iodo-1,7,9,10- tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide","","- C23 H25 B F2 I N3 -","- C23 H25 B F2 I N3 -","- C92 H100 B4 F8 I4 N12 -","4","1","","Niu, Songlin; Ulrich, Gilles; Retailleau, Pascal; Ziessel, Raymond","Regioselective synthesis of 5-monostyryl and 2-tetracyanobutadiene BODIPY dyes.","Organic letters","2011","13","19","4996","4999","10.1021/ol201600s","","","1.54187","CuKα","","0.0713","0.0432","","","0.0903","0.1273","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502336","8.492","0.003","8.849","0.003","15.021","0.006","92.659","0.007","91.269","0.007","102.379","0.007","1100.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O4 S -","- C25 H24 N2 O4 S -","- C50 H48 N4 O8 S2 -","2","1","","Ghorai, Manas K.; Nanaji, Y.; Yadav, A. K.","Ring opening/C-N cyclization of activated aziridines with carbon nucleophiles: highly diastereo- and enantioselective synthesis of tetrahydroquinolines.","Organic letters","2011","13","16","4256","4259","10.1021/ol2016077","","","0.71073","MoKα","","0.0742","0.0571","","","0.1466","0.1824","","","","","","1.111","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502337","8.996","0.004","17.247","0.006","11.869","0.005","90","","110.366","0.005","90","","1726.4","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C80 H80 N8 O8 S4 -","4","1","","Ghorai, Manas K.; Nanaji, Y.; Yadav, A. K.","Ring opening/C-N cyclization of activated aziridines with carbon nucleophiles: highly diastereo- and enantioselective synthesis of tetrahydroquinolines.","Organic letters","2011","13","16","4256","4259","10.1021/ol2016077","","","0.71073","MoKα","","0.0642","0.051","","","0.1358","0.1533","","","","","","0.931","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502338","11.004","0.004","11.586","0.005","12.288","0.006","93.336","0.007","101.165","0.006","114.297","0.005","1384.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H33 Br N2 O4 S -","- C29 H33 Br N2 O4 S -","- C58 H66 Br2 N4 O8 S2 -","2","1","","Ghorai, Manas K.; Nanaji, Y.; Yadav, A. K.","Ring opening/C-N cyclization of activated aziridines with carbon nucleophiles: highly diastereo- and enantioselective synthesis of tetrahydroquinolines.","Organic letters","2011","13","16","4256","4259","10.1021/ol2016077","","","0.71073","MoKα","","0.0871","0.0622","","","0.1554","0.1966","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502339","9.314","0.005","12.85","0.005","9.334","0.005","90","0.005","95.772","0.005","90","0.005","1111.5","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 N2 O2 S -","- C26 H26 N2 O2 S -","- C52 H52 N4 O4 S2 -","2","1","","Ghorai, Manas K.; Nanaji, Y.; Yadav, A. K.","Ring opening/C-N cyclization of activated aziridines with carbon nucleophiles: highly diastereo- and enantioselective synthesis of tetrahydroquinolines.","Organic letters","2011","13","16","4256","4259","10.1021/ol2016077","","","0.71073","MoKα","","0.0651","0.0526","","","0.1086","0.1405","","","","","","1.138","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502340","14.1502","0.0006","21.6375","0.001","27.7335","0.0012","90","","95.86","0.004","90","","8446.9","0.6","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C152 H208 F12 N8 O34 P2 -","- C152 H208 F12 N8 O34 P2 -","- C304 H416 F24 N16 O68 P4 -","2","0.5","","Jiang, Wei; Sattler, Dominik; Rissanen, Kari; Schalley, Christoph A.","[4]Pseudorotaxanes with remarkable self-sorting selectivities.","Organic letters","2011","13","17","4502","4505","10.1021/ol201618f","","x-ray","1.54183","CuKα","","0.2472","0.1646","","","0.3976","0.4406","","","","","","1.336","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502341","7.7751","0.0006","10.3561","0.0008","30.771","0.002","90","","90","","90","","2477.7","0.3","293","2","293","2","","","","","","","","5","P b c 21","P 2c -2b","29","","","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C96 H104 N8 O24 S8 -","8","2","","Jin, Weiwei; Du, Wangming; Yang, Qin; Yu, Haifeng; Chen, Jiping; Yu, Zhengkun","Regio- and stereoselective synthesis of multisubstituted olefins and conjugate dienes by using α-oxo ketene dithioacetals as the building blocks.","Organic letters","2011","13","16","4272","4275","10.1021/ol201620g","","","0.71073","MoKα","","0.0585","0.0524","","","0.1322","0.1357","","","","","","0.997","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502342","10.5132","0.0012","10.9768","0.0012","12.1803","0.0014","106.285","0.002","91.85","0.002","90.48","0.002","1348.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","2","","Jin, Weiwei; Du, Wangming; Yang, Qin; Yu, Haifeng; Chen, Jiping; Yu, Zhengkun","Regio- and Stereoselective Synthesis of Multisubstituted Olefins and Conjugate Dienes by Using α-Oxo Ketene Dithioacetals as the Building Blocks","Organic Letters","2011","13","16","4272","4275","10.1021/ol201620g","","","0.71073","MoKα","","0.0817","0.063","","","0.1768","0.1909","","","","","","1.078","","","","has coordinates","210339","2020-10-21","18:00:00",""
"1502343","13.017","0.0011","9.1064","0.0008","13.6673","0.0011","90","","105.084","0.001","90","","1564.3","0.2","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl O S -","- C19 H13 Cl O S -","- C76 H52 Cl4 O4 S4 -","4","1","","Jin, Weiwei; Du, Wangming; Yang, Qin; Yu, Haifeng; Chen, Jiping; Yu, Zhengkun","Regio- and stereoselective synthesis of multisubstituted olefins and conjugate dienes by using α-oxo ketene dithioacetals as the building blocks.","Organic letters","2011","13","16","4272","4275","10.1021/ol201620g","","","0.71073","MoKα","","0.0417","0.0334","","","0.084","0.0898","","","","","","1.066","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502344","10.4782","0.0017","12.795","0.002","12.858","0.002","90","","90","","90","","1723.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Jin, Weiwei; Du, Wangming; Yang, Qin; Yu, Haifeng; Chen, Jiping; Yu, Zhengkun","Regio- and stereoselective synthesis of multisubstituted olefins and conjugate dienes by using α-oxo ketene dithioacetals as the building blocks.","Organic letters","2011","13","16","4272","4275","10.1021/ol201620g","","","0.71073","MoKα","","0.0405","0.032","","","0.0663","0.0691","","","","","","0.941","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502345","18.9697","0.0009","6.1032","0.0003","12.078","0.0006","90","","95.162","0.003","90","","1392.67","0.12","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H15 Br O -","- C17 H15 Br O -","- C68 H60 Br4 O4 -","4","1","","Ovalles, Stephanie R.; Hansen, Jørn H; Davies, Huw M. L.","Thermally induced cycloadditions of donor/acceptor carbenes.","Organic letters","2011","13","16","4284","4287","10.1021/ol201628d","","","1.54178","CuKα","","0.0677","0.0589","","","0.1853","0.2174","","","","","","1.137","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502346","9.1072","0.0003","9.1072","0.0003","42.969","0.003","90","","90","","90","","3563.9","0.3","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C168 H192 N16 O16 -","8","1","","Giovanelli, Emerson; Leroux, Sébastien; Moisan, Lionel; Carreyre, Hélène; Thuéry, Pierre; Buisson, David-Alexandre; Meddour, Abdelkrim; Coustard, Jean-Marie; Thibaudeau, Sébastien; Rousseau, Bernard; Nicolas, Marc; Hellier, Paul; Doris, Eric","On the elucidation of the mechanism of Vinca alkaloid fluorination in superacidic medium.","Organic letters","2011","13","15","4116","4119","10.1021/ol201637m","","","0.71073","MoKα","","0.0605","0.0442","","","0.098","0.1054","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502347","7.9868","0.0014","16.291","0.003","15.104","0.003","90","","100.77","0.002","90","","1930.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 Br O Si -","- C18 H31 Br O Si -","- C72 H124 Br4 O4 Si4 -","4","1","","Liang, Huan; Hu, Lin; Corey, E. J.","Di-tert-butylisobutylsilyl, another useful protecting group.","Organic letters","2011","13","15","4120","4123","10.1021/ol201640y","","","0.71073","MoKα","","0.0355","0.0259","","","0.0589","0.0624","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502348","9.9752","0.0002","10.52392","0.00016","11.2107","0.0002","90","","116.107","0.003","90","","1056.81","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H32 O4 S -","- C24 H32 O4 S -","- C48 H64 O8 S2 -","2","1","","Soni, Rina; Collinson, John-Michael; Clarkson, Guy C.; Wills, Martin","An unexpected directing effect in the asymmetric transfer hydrogenation of α,α-disubstituted ketones.","Organic letters","2011","13","16","4304","4307","10.1021/ol201643v","","","0.71073","MoKα","","0.0319","0.0289","","","0.071","0.0718","","","","","","1.004","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502349","10.3318","0.0003","18.3947","0.0005","14.2896","0.0004","90","","108.039","0.003","90","","2582.25","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 O -","- C36 H34 O -","- C144 H136 O4 -","4","1","","Soni, Rina; Collinson, John-Michael; Clarkson, Guy C.; Wills, Martin","An unexpected directing effect in the asymmetric transfer hydrogenation of α,α-disubstituted ketones.","Organic letters","2011","13","16","4304","4307","10.1021/ol201643v","","","1.54184","CuKα","","0.0479","0.0434","","","0.1098","0.1143","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502350","7.43712","0.00009","8.62914","0.00009","36.4793","0.0004","90","","90","","90","","2341.09","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 O4 S -","- C28 H32 O4 S -","- C112 H128 O16 S4 -","4","1","","Soni, Rina; Collinson, John-Michael; Clarkson, Guy C.; Wills, Martin","An unexpected directing effect in the asymmetric transfer hydrogenation of α,α-disubstituted ketones.","Organic letters","2011","13","16","4304","4307","10.1021/ol201643v","","","1.54184","CuKα","","0.0335","0.0333","","","0.0839","0.0841","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502351","7.5858","0.0003","13.6821","0.0007","18.7826","0.0009","74.53","0.002","88.182","0.003","87.442","0.003","1876.54","0.15","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H46 S4 -","- C48 H46 S4 -","- C96 H92 S8 -","2","1","","Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus","Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes","Organic Letters","2011","13","17","4506","4509","10.1021/ol2016516","","","0.71073","MoKα","","0.089","0.0719","","0.076","0.0743","0.0743","","","","","","1.1425","","","","has coordinates","210340","2020-10-21","18:00:00",""
"1502352","14.1748","0.0003","23.6414","0.0006","20.9266","0.0003","90","","100.256","0.0012","90","","6900.7","0.2","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 O S4 -","- C44 H38 O S4 -","- C352 H304 O8 S32 -","8","1","","Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus","Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes","Organic Letters","2011","13","17","4506","4509","10.1021/ol2016516","","","0.71073","MoKα","","0.0666","0.0455","","0.056","0.0545","0.0545","","","","","","1.0498","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502353","5.0041","0.0002","9.4388","0.0005","14.0451","0.0008","101.515","0.003","96.482","0.003","97.466","0.003","637.91","0.06","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H3 F6 O6 S2 -","- C10 H3 F6 O6 S2 -","- C20 H6 F12 O12 S4 -","2","1","","Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus","Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes","Organic Letters","2011","13","17","4506","4509","10.1021/ol2016516","","","0.71073","MoKα","","0.0512","0.0368","","0.0485","0.0444","0.0444","","","","","","1.075","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502354","10.9121","0.0002","13.4556","0.0003","21.4689","0.0005","101.749","0.0009","92.3718","0.0012","92.6724","0.0011","3078.67","0.11","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H6 Br2 F6 O6 S2 -","- C18 H6 Br2 F6 O6 S2 -","- C108 H36 Br12 F36 O36 S12 -","6","3","","Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus","Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes","Organic Letters","2011","13","17","4506","4509","10.1021/ol2016516","","","0.71073","MoKα","","0.072","0.0501","","0.0612","0.0584","0.0584","","","","","","1.0832","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502355","9.5284","0.0006","14.0861","0.0007","16.0076","0.0009","71.062","0.004","88.429","0.003","80.284","0.004","2002.2","0.2","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H50 S4 -","- C48 H50 S4 -","- C96 H100 S8 -","2","1","","Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus","Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes","Organic Letters","2011","13","17","4506","4509","10.1021/ol2016516","","","0.71073","MoKα","","0.1014","0.0583","","0.0584","0.0563","0.0563","","","","","","1.1009","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502356","6.6296","0.0005","11.8971","0.0009","23.4759","0.0005","90","","90","","90","","1851.6","0.2","295","2","295","2","","","","","","","","4","P 21 c a","P -2ac 2a","29","","","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Saha, Uday Chand; Dhara, Koushik; Chattopadhyay, Basab; Mandal, Sushil Kumar; Mondal, Swastik; Sen, Supriti; Mukherjee, Monika; van Smaalen, Sander; Chattopadhyay, Pabitra","A new half-condensed Schiff base compound: highly selective and sensitive pH-responsive fluorescent sensor.","Organic letters","2011","13","17","4510","4513","10.1021/ol201652r","","","0.71069","MoKα","","0.1861","0.07","","","0.174","0.2649","","","","","","1.514","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502357","10.497","0.003","10.773","0.003","12.762","0.004","104.976","0.004","109.023","0.004","107.143","0.004","1199.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 N3 O2 S -","- C30 H23 N3 O2 S -","- C60 H46 N6 O4 S2 -","2","1","","Li, Shaoyu; Luo, Yong; Wu, Jie","Three-component reaction of N'-(2-alkynylbenzylidene)hydrazide, alkyne, with sulfonyl azide via a multicatalytic process: a novel and concise approach to 2-amino-H-pyrazolo[5,1-a]isoquinolines.","Organic letters","2011","13","16","4312","4315","10.1021/ol201653j","","","0.71073","MoKα","","0.0616","0.0482","","","0.1283","0.1376","","","","","","0.988","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502358","8.3369","0.0002","10.0978","0.0003","12.2085","0.0003","79.814","0.001","84.022","0.001","74.014","0.001","970.78","0.04","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 O -","- C28 H20 O -","- C56 H40 O2 -","2","1","","Wang, Hengbin; Denton, Justin R.; Davies, Huw M. L.","Sequential rhodium-, silver-, and gold-catalyzed synthesis of fused dihydrofurans.","Organic letters","2011","13","16","4316","4319","10.1021/ol2016548","","","1.54178","CuKα","","0.0392","0.0362","","","0.0969","0.0996","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502359","11.1319","0.0002","17.695","0.0002","13.8306","0.0002","90","","113.704","0.001","90","","2494.5","0.07","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 O4 -","- C28 H24 O4 -","- C112 H96 O16 -","4","1","","Wang, Hengbin; Denton, Justin R.; Davies, Huw M. L.","Sequential rhodium-, silver-, and gold-catalyzed synthesis of fused dihydrofurans.","Organic letters","2011","13","16","4316","4319","10.1021/ol2016548","","","1.54178","CuKα","","0.0444","0.0412","","","0.128","0.1313","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502360","12.6439","0.0006","9.4682","0.0004","12.7332","0.0005","90","","90.963","0.004","90","","1524.14","0.11","293","2","297.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Fañanás, Francisco J; Arto, Tamara; Mendoza, Abraham; Rodríguez, Félix","Synthesis of 2,5-dihydropyridine derivatives by gold-catalyzed reactions of β-ketoesters and propargylamines.","Organic letters","2011","13","16","4184","4187","10.1021/ol201655u","","","1.54184","CuKα","","0.1117","0.0847","","","0.2328","0.2773","","","","","","1.126","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502361","34.5471","0.0019","10.8695","0.0006","20.1542","0.0011","90","","117.093","0.001","90","","6737.6","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H34.5 N1.5 O4 -","- C44 H34.5 N1.5 O4 -","- C352 H276 N12 O32 -","8","1","","Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","A molecular balance for measuring aliphatic CH-π interactions.","Organic letters","2011","13","16","4320","4323","10.1021/ol201657p","","","0.71073","MoKα","","0.0836","0.0426","","","0.0728","0.0851","","","","","","0.868","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502362","9.9283","0.0005","29.9924","0.0015","11.1441","0.0006","90","","107.54","0.001","90","","3164.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H32 N2 O5 -","- C43 H32 N2 O5 -","- C172 H128 N8 O20 -","4","1","","Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","A molecular balance for measuring aliphatic CH-π interactions.","Organic letters","2011","13","16","4320","4323","10.1021/ol201657p","","","0.71073","MoKα","","0.0567","0.041","","","0.0991","0.1056","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502363","10.1874","0.0005","10.7672","0.0006","11.9335","0.0006","90","","90","","90","","1308.98","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","A molecular balance for measuring aliphatic CH-π interactions.","Organic letters","2011","13","16","4320","4323","10.1021/ol201657p","","","0.71073","MoKα","","0.0337","0.0325","","","0.0867","0.0879","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502364","9.6496","0.0006","21.2791","0.0013","17.3549","0.0011","90","","92.255","0.001","90","","3560.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 N2 O5 -","- C45 H36 N2 O5 -","- C180 H144 N8 O20 -","4","1","","Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","A molecular balance for measuring aliphatic CH-π interactions.","Organic letters","2011","13","16","4320","4323","10.1021/ol201657p","","","0.71073","MoKα","","0.0525","0.0443","","","0.1079","0.1138","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502365","8.293","0.0006","11.2021","0.0009","16.2621","0.0012","81.447","0.002","75.918","0.002","70.351","0.002","1376.3","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H29 N O6 -","- C34 H29 N O6 -","- C68 H58 N2 O12 -","2","1","","Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","A molecular balance for measuring aliphatic CH-π interactions.","Organic letters","2011","13","16","4320","4323","10.1021/ol201657p","","","0.71073","MoKα","","0.0909","0.0477","","","0.0894","0.1007","","","","","","0.863","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502366","10.102","0.01","10.247","0.01","10.715","0.01","67.098","0.012","63.868","0.013","77.085","0.013","915.5","1.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C48 H36 N4 -","2","1","","Wang, Wen; Shen, Yongwen; Meng, Xu; Zhao, Mingming; Chen, Yongxin; Chen, Baohua","Copper-catalyzed synthesis of quinoxalines with o-phenylenediamine and terminal alkyne in the presence of bases.","Organic letters","2011","13","17","4514","4517","10.1021/ol201664x","","","0.71073","MoKα","","0.2653","0.1396","","","0.1368","0.1679","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502367","8.7653","0.0002","11.1641","0.0002","12.7663","0.0003","70.5552","0.0012","70.5023","0.001","89.8715","0.0014","1102.1","0.04","173","","173","2","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C23 H23 Br I N O4 -","- C23 H23 Br I N O4 -","- C46 H46 Br2 I2 N2 O8 -","2","1","","Lubriks, Dmitrijs; Sokolovs, Igors; Suna, Edgars","Iodonium salts are key intermediates in Pd-catalyzed acetoxylation of pyrroles.","Organic letters","2011","13","16","4324","4327","10.1021/ol201665c","","","0.71073","MoKα","","0.034","0.026","","0.141","0.082","0.082","","","1.183","0.921","0.921","0.92","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502368","8.2215","0.0002","9.6598","0.0004","13.0019","0.0003","88.038","0.002","75.417","0.002","87.053","0.0012","997.76","0.05","173","","173","2","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C20 H19 Br I N O4 -","- C20 H19 Br I N O4 -","- C40 H38 Br2 I2 N2 O8 -","2","1","","Lubriks, Dmitrijs; Sokolovs, Igors; Suna, Edgars","Iodonium salts are key intermediates in Pd-catalyzed acetoxylation of pyrroles.","Organic letters","2011","13","16","4324","4327","10.1021/ol201665c","","","0.71073","MoKα","","0.055","0.035","","0.148","0.07","0.07","","","1.703","1.378","1.378","1.377","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502369","12.589","0.0003","9.3093","0.0002","18.3114","0.0005","90","","105.36","","90","","2069.35","0.09","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","","Presset, Marc; Mohanan, Kishor; Hamann, Marie; Coquerel, Yoann; Rodriguez, Jean","1,3-Dipolar cycloaddition of hydrazones with α-oxo-ketenes: a three-component stereoselective entry to pyrazolidinones and an original class of spirooxindoles.","Organic letters","2011","13","15","4124","4127","10.1021/ol2016669","","x-ray","0.71073","MoKα","","0.142","0.0699","","","0.1736","0.2219","","","","","","1.075","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502370","13.4677","0.0002","11.5567","0.0002","13.588","0.0003","90","","91.659","0.001","90","","2113.98","0.07","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N3 O3 -","- C24 H25 N3 O3 -","- C96 H100 N12 O12 -","4","1","","Presset, Marc; Mohanan, Kishor; Hamann, Marie; Coquerel, Yoann; Rodriguez, Jean","1,3-Dipolar cycloaddition of hydrazones with α-oxo-ketenes: a three-component stereoselective entry to pyrazolidinones and an original class of spirooxindoles.","Organic letters","2011","13","15","4124","4127","10.1021/ol2016669","","x-ray","0.71073","MoKα","","0.1149","0.0713","","","0.1596","0.188","","","","","","1.036","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502371","10.7346","0.0003","9.4995","0.0003","18.7661","0.0005","90","","95.215","0.002","90","","1905.72","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Presset, Marc; Mohanan, Kishor; Hamann, Marie; Coquerel, Yoann; Rodriguez, Jean","1,3-Dipolar cycloaddition of hydrazones with α-oxo-ketenes: a three-component stereoselective entry to pyrazolidinones and an original class of spirooxindoles.","Organic letters","2011","13","15","4124","4127","10.1021/ol2016669","","x-ray","0.71073","MoKα","","0.1631","0.0801","","","0.2384","0.3224","","","","","","1.124","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502372","11.6527","0.0018","9.7093","0.0015","12.4847","0.0019","90","","110.86","0.003","90","","1319.9","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H29 N O2 S2 -","- C29 H29 N O2 S2 -","- C58 H58 N2 O4 S4 -","2","1","","Arroyo, Yolanda; Sanz-Tejedor, M Ascensión; Alonso, Inés; García-Ruano, José L","Synthesis of optically pure vic-sulfanyl amines mediated by a remote sulfinyl group.","Organic letters","2011","13","17","4534","4537","10.1021/ol201696y","","","0.71073","MoKα","","0.0366","0.0332","","","0.0881","0.0921","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502373","9.403","0.003","10.746","0.003","14.25","0.005","90","","98.438","0.006","90","","1424.3","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 N2 O5 S2 -","- C30 H28 N2 O5 S2 -","- C60 H56 N4 O10 S4 -","2","1","","Arroyo, Yolanda; Sanz-Tejedor, M Ascensión; Alonso, Inés; García-Ruano, José L","Synthesis of optically pure vic-sulfanyl amines mediated by a remote sulfinyl group.","Organic letters","2011","13","17","4534","4537","10.1021/ol201696y","","","0.71073","MoKα","","0.1815","0.048","","","0.0689","0.0944","","","","","","0.793","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502374","8.3672","0.0006","8.3672","0.0006","41.378","0.006","90","","90","","120","","2508.8","0.4","173","2","173","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H25 N O S -","- C18 H25 N O S -","- C108 H150 N6 O6 S6 -","6","1","","Collett, Nathan D.; Carter, Rich G.","Stereoselective synthesis of the eastern quinolizidine portion of himeradine A.","Organic letters","2011","13","15","4144","4147","10.1021/ol201704g","","","0.71073","MoKα","","0.0384","0.0327","","","0.0699","0.0737","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502375","7.1044","0.0006","9.9689","0.0009","17.0887","0.0015","90","","90","","90","","1210.27","0.18","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","","Zhu, Xi; Lin, Aijun; Shi, Yan; Guo, Jingyu; Zhu, Chengjian; Cheng, Yixiang","Enantioselective synthesis of polycyclic coumarin derivatives catalyzed by an in situ formed primary amine-imine catalyst.","Organic letters","2011","13","16","4382","4385","10.1021/ol201715h","","","0.71073","MoKα","","0.0444","0.0338","","","0.0845","0.0907","","","","","","0.984","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502376","7.4994","0.0008","10.5825","0.0008","18.5973","0.0019","74.566","0.005","88.478","0.006","87.88","0.003","1421.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 Fe2 N6 -","- C34 H32 Fe2 N6 -","- C68 H64 Fe4 N12 -","2","1","","Cao, Qian-Yong; Pradhan, Tuhin; Kim, Sungtae; Kim, Jong Seung","Ferrocene-appended aryl triazole for electrochemical recognition of phosphate ions.","Organic letters","2011","13","16","4386","4389","10.1021/ol201722d","","","0.71073","MoKα","","0.1315","0.0582","","","0.125","0.155","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502377","20.685","0.002","9.8517","0.0011","20.938","0.002","90","","94.334","0.002","90","","4254.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H57 N3 O S Zr -","- C42 H57 N3 O S Zr -","- C168 H228 N12 O4 S4 Zr4 -","4","1","","Wang, Xinke; Chen, Zhou; Sun, Xiu-Li; Tang, Yong; Xie, Zuowei","Intramolecular hydroamination of aminoalkenes catalyzed by a cationic zirconium complex.","Organic letters","2011","13","18","4758","4761","10.1021/ol201731m","","","0.71073","MoKα","","0.2365","0.0535","","","0.0805","0.117","","","","","","0.706","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502378","9.8637","0.0012","7.3755","0.0009","21.361","0.002","90","","90","","90","","1554","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H19 Br N2 O2 -","- C16 H19 Br N2 O2 -","- C64 H76 Br4 N8 O8 -","4","1","","Granger, Brett A.; Kaneda, Kyosuke; Martin, Stephen F.","Multicomponent assembly strategies for the synthesis of diverse tetrahydroisoquinoline scaffolds.","Organic letters","2011","13","17","4542","4545","10.1021/ol201739u","","","0.71075","MoKα","","0.0685","0.0419","","","0.0809","0.095","","","","","","1.025","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502379","14.934","0.0002","9.5657","0.0001","17.7739","0.0002","90","","90","","90","","2539.08","0.05","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Br2 N4 O2 -","- C11 H10 Br2 N4 O2 -","- C88 H80 Br16 N32 O16 -","8","1","","Hewlett, Nicole M.; Tepe, Jetze J.","Total synthesis of the natural product (±)-dibromophakellin and analogues.","Organic letters","2011","13","17","4550","4553","10.1021/ol201741r","","x-ray","1.54178","CuKα","","0.0355","0.0337","","","0.0814","0.0826","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502380","5.8701","0.0005","13.7261","0.0011","26.946","0.002","90","","90","","90","","2171.1","0.3","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11106a","","","- C25 H29 N O4 -","- C25 H29 N O4 -","- C100 H116 N4 O16 -","4","1","","Buchanan, Grant S.; Dai, Huifang; Hsung, Richard P.; Gerasyuto, Aleksey I.; Scheinebeck, Casi M.","Asymmetric aza-[3+3] annulation in the synthesis of indolizidines: an unexpected reversal of regiochemistry.","Organic letters","2011","13","16","4402","4405","10.1021/ol2017438","","","0.71073","MoKα","","0.0674","0.0389","","","0.0772","0.0904","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502381","10.2256","0.0012","10.8683","0.0013","15.1033","0.0018","92.681","0.01","108.486","0.009","110.798","0.009","1463.9","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H51 N O3 Si -","- C27 H51 N O3 Si -","- C54 H102 N2 O6 Si2 -","2","1","","Lapointe, Guillaume; Schenk, Kurt; Renaud, Philippe","Total synthesis of (±)-cylindricine C.","Organic letters","2011","13","18","4774","4777","10.1021/ol201745s","","","0.71073","MoKα","","0.103","0.0664","","","0.1966","0.2171","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502382","10.891","0.002","6.4637","0.0013","16.503","0.003","90","","101.84","0.03","90","","1137","0.4","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","","Tseng, Chih-Chung; Ding, Hanfeng; Li, Ang; Guan, Yucui; Chen, David Y.-K.","A modular synthesis of salvileucalin B structural domains.","Organic letters","2011","13","16","4410","4413","10.1021/ol201748x","","","0.71073","MoKα","","0.0828","0.0711","","","0.1479","0.1561","","","","","","1.147","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502383","10.1866","0.0015","13.017","0.002","22.877","0.004","90","","90","","90","","3033.5","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 S2 -","- C33 H39 N O4 S2 -","- C132 H156 N4 O16 S8 -","4","1","","Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi","Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization.","Organic letters","2011","13","16","4414","4417","10.1021/ol201749c","","","0.71073","MoKα","","0.0646","0.0592","","","0.1218","0.1249","","","","","","1.095","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502384","8.7786","0.0018","14.075","0.003","24.58","0.005","90","","90","","90","","3037.1","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 S2 -","- C33 H39 N O4 S2 -","- C132 H156 N4 O16 S8 -","4","1","","Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi","Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization.","Organic letters","2011","13","16","4414","4417","10.1021/ol201749c","","","0.71073","MoKα","","0.0672","0.0582","","","0.1045","0.1093","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502385","13.347","0.004","5.152","0.0015","19.349","0.006","90","","97.644","0.004","90","","1318.7","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O5 -","- C30 H35 N O5 -","- C60 H70 N2 O10 -","2","1","","Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi","Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization.","Organic letters","2011","13","16","4414","4417","10.1021/ol201749c","","","0.71073","MoKα","","0.0522","0.0477","","","0.0981","0.1006","","","","","","1.089","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502386","12.634","0.003","8.8253","0.0018","14.418","0.003","90","","115.1","0.03","90","","1455.8","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H39 N O6 -","- C32 H39 N O6 -","- C64 H78 N2 O12 -","2","1","","Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi","Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization.","Organic letters","2011","13","16","4414","4417","10.1021/ol201749c","","","0.71073","MoKα","","0.0484","0.0422","","","0.1231","0.1346","","","","","","1.231","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502387","12.771","0.002","9.914","0.0017","18.545","0.003","90","","90","","90","","2348","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 -","- C14 H13 N3 -","- C112 H104 N24 -","8","1","","Shen, Hao; Wang, Yang; Xie, Zuowei","Ti-amide catalyzed synthesis of cyclic guanidines from di-/triamines and carbodiimides.","Organic letters","2011","13","17","4562","4565","10.1021/ol201752e","","","0.71073","MoKα","","0.0772","0.0477","","","0.1321","0.1717","","","","","","0.965","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502388","9.8597","0.0006","10.9565","0.0008","11.4297","0.0007","109.843","0.001","96.118","0.001","111.059","0.001","1046.46","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H21 N3 -","- C28 H21 N3 -","- C56 H42 N6 -","2","1","","Shen, Hao; Wang, Yang; Xie, Zuowei","Ti-amide catalyzed synthesis of cyclic guanidines from di-/triamines and carbodiimides.","Organic letters","2011","13","17","4562","4565","10.1021/ol201752e","","","0.71073","MoKα","","0.079","0.0476","","","0.1246","0.1465","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502389","12.9716","0.0009","10.05307","0.0001","12.4057","0.0002","90","","114.727","0.008","90","","1469.43","0.14","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Urabe, Daisuke; Yamaguchi, Hiroki; Inoue, Masayuki","Application of α-alkoxy bridgehead radical for coupling of oxygenated carbocycles.","Organic letters","2011","13","18","4778","4781","10.1021/ol201758a","","","1.54187","CuKα","","","0.0372","","","","0.0934","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502390","19.947","0.002","13.3646","0.0015","11.2796","0.0013","90","","105.507","0.002","90","","2897.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C128 H144 N16 O24 -","8","2","","Goldberg, Alexander F. G.; Stoltz, Brian M.","A palladium-catalyzed vinylcyclopropane (3+2) cycloaddition approach to the Melodinus alkaloids.","Organic letters","2011","13","16","4474","4476","10.1021/ol2017615","","","0.71073","MoKα","","0.0748","0.0507","","","0.0645","0.0664","","","","","","2.16","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502391","7.6777","0.0003","9.1864","0.0003","10.8584","0.0004","71.309","0.002","69.829","0.002","75.759","0.001","673.01","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","","Goldberg, Alexander F. G.; Stoltz, Brian M.","A palladium-catalyzed vinylcyclopropane (3+2) cycloaddition approach to the Melodinus alkaloids.","Organic letters","2011","13","16","4474","4476","10.1021/ol2017615","","","0.71073","MoKα","","0.0829","0.0623","","","0.0933","0.0954","","","","","","2.646","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502392","11.0839","0.0002","7.5405","0.0001","12.2852","0.0002","90","","106.18","0.001","90","","986.1","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C42 H46 N6 O10 -","2","1","","Morris, Erin N.; Nenninger, E. Katherine; Pike, Robert D.; Scheerer, Jonathan R.","Diels-Alder cycloaddition of chiral nonracemic 2,5-diketopiperazine dienes.","Organic letters","2011","13","16","4430","4433","10.1021/ol201768f","","","1.54178","CuKα","","0.0249","0.0247","","","0.062","0.0621","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502393","8.6914","0.0013","12.794","0.002","22.586","0.004","90","","90","","90","","2511.5","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O7 S -","- C26 H25 N O7 S -","- C104 H100 N4 O28 S4 -","4","1","","Peng, Jing; Huang, Xin; Jiang, Lin; Cui, Hai-Lei; Chen, Ying-Chun","Tertiary amine-catalyzed chemoselective and asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates of isatins with propargyl sulfones.","Organic letters","2011","13","17","4584","4587","10.1021/ol201776h","","","0.71073","MoKα","","0.0423","0.0363","","","0.0762","0.0788","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502394","9.412","0.003","9.97","0.004","13.453","0.005","90","","93.383","0.005","90","","1260.2","0.8","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 Br N2 O7 -","- C27 H23 Br N2 O7 -","- C54 H46 Br2 N4 O14 -","2","1","","Peng, Jing; Huang, Xin; Jiang, Lin; Cui, Hai-Lei; Chen, Ying-Chun","Tertiary amine-catalyzed chemoselective and asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates of isatins with propargyl sulfones.","Organic letters","2011","13","17","4584","4587","10.1021/ol201776h","","","0.71073","MoKα","","0.0859","0.0667","","","0.1428","0.1469","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502395","9.04","0.003","13.448","0.004","10.514","0.003","90","","93.69","0.004","90","","1275.5","0.7","240","2","240","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H27 N O7 S -","- C27 H27 N O7 S -","- C54 H54 N2 O14 S2 -","2","1","","Peng, Jing; Huang, Xin; Jiang, Lin; Cui, Hai-Lei; Chen, Ying-Chun","Tertiary amine-catalyzed chemoselective and asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates of isatins with propargyl sulfones.","Organic letters","2011","13","17","4584","4587","10.1021/ol201776h","","","0.71073","MoKα","","0.0437","0.0361","","","0.07","0.0726","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502396","8.672","0.002","11.45","0.003","18.265","0.005","90","","95.833","0.005","90","","1804.2","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 Cl N2 O5 -","- C23 H13 Cl N2 O5 -","- C92 H52 Cl4 N8 O20 -","4","1","","Chou, Teh-Chang; Lin, Kuen-Cheng; Kon-no, Masaru; Lee, Chih-Ching; Shinmyozu, Teruo","Quinoxaline-embedded polyacenoquinone esters: synthesis, electronic properties, and crystal structure.","Organic letters","2011","13","17","4588","4591","10.1021/ol2017774","","","0.71073","MoKα","","0.0895","0.0651","","","0.1282","0.1379","","","","","","1.14","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502397","18.4007","0.0012","5.1306","0.0003","17.9799","0.0012","90","","92.708","0.006","90","","1695.53","0.19","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 Cl N2 O5 -","- C22 H11 Cl N2 O4 -","- C88 H44 Cl4 N8 O16 -","4","1","","Chou, Teh-Chang; Lin, Kuen-Cheng; Kon-no, Masaru; Lee, Chih-Ching; Shinmyozu, Teruo","Quinoxaline-embedded polyacenoquinone esters: synthesis, electronic properties, and crystal structure.","Organic letters","2011","13","17","4588","4591","10.1021/ol2017774","","","1.54178","CuKα","","0.0818","0.052","","","0.1335","0.1626","","","","","","0.88","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502398","7.8071","0.0007","30.742","0.003","8.1999","0.0007","90","","103.408","0.001","90","","1914.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Br2 N O -","- C22 H15 Br2 N O -","- C88 H60 Br8 N4 O4 -","4","1","","Zhang, Xinying; Jia, Xuefei; Fang, Liangliang; Liu, Nan; Wang, Jianji; Fan, Xuesen","Tandem reactions of 1,2-allenic ketones leading to substituted benzenes and α,β-unsaturated nitriles.","Organic letters","2011","13","19","5024","5027","10.1021/ol201789z","","","0.71073","MoKα","","0.0577","0.0323","","","0.0727","0.0822","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502399","8.14","0.005","11.896","0.007","12.943","0.007","90","","90","","90","","1253.3","1.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Cl N O -","- C13 H12 Cl N O -","- C52 H48 Cl4 N4 O4 -","4","1","","Zhang, Xinying; Jia, Xuefei; Fang, Liangliang; Liu, Nan; Wang, Jianji; Fan, Xuesen","Tandem reactions of 1,2-allenic ketones leading to substituted benzenes and α,β-unsaturated nitriles.","Organic letters","2011","13","19","5024","5027","10.1021/ol201789z","","","0.71073","MoKα","","0.0485","0.0358","","","0.0836","0.0925","","","","","","1.042","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502400","9.389","0.0005","15.1811","0.0007","44.014","0.0019","90","","90","","90","","6273.6","0.5","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 Br N O3 -","- C38 H42 Br N O3 -","- C304 H336 Br8 N8 O24 -","8","2","","Zhang, Zhihui; Baubet, Valérie; Ventocilla, Christian; Xiang, Chaomei; Dahmane, Nadia; Winkler, Jeffrey D.","Stereoselective synthesis of F-ring saturated estrone-derived inhibitors of Hedgehog signaling based on cyclopamine.","Organic letters","2011","13","18","4786","4789","10.1021/ol2017966","","","0.71073","MoKα","","0.058","0.041","","","0.0817","0.0874","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502401","7.1374","0.0003","10.4915","0.0005","23.5245","0.0012","96.57","0.003","91.75","0.003","108.864","0.002","1651.72","0.14","143","1","143","1","","","","","","","","4","P 1","P 1","1","","","","- C38 H41 N3 O7 -","- C38 H41 N3 O7 -","- C76 H82 N6 O14 -","2","2","","Zhang, Zhihui; Baubet, Valérie; Ventocilla, Christian; Xiang, Chaomei; Dahmane, Nadia; Winkler, Jeffrey D.","Stereoselective synthesis of F-ring saturated estrone-derived inhibitors of Hedgehog signaling based on cyclopamine.","Organic letters","2011","13","18","4786","4789","10.1021/ol2017966","","","0.71073","MoKα","","0.0581","0.0504","","","0.13","0.1375","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502402","10.1508","0.0002","10.378","0.0002","15.321","0.0004","90","","99.993","0.001","90","","1589.5","0.06","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 -","- C24 H16 -","- C96 H64 -","4","1","","Pieters, Grégory; Gaucher, Anne; Marrot, Jérôme; Maurel, François; Naubron, Jean-Valère; Jean, Marion; Vanthuyne, Nicolas; Crassous, Jeanne; Prim, Damien","New chiral cyclooctatriene-based polycyclic architectures.","Organic letters","2011","13","16","4450","4453","10.1021/ol201804h","","","0.71073","MoKα","","0.0492","0.0478","","","0.1052","0.106","","","","","","1.128","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502403","23.3176","0.0006","10.4397","0.0003","16.694","0.0005","90","","98.771","0.001","90","","4016.3","0.2","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","(1E,3E,5E,7E)-1,2,3,4,5,6,7,8-Octaphenyl-1,3,5,7-octatetraene","","- C56 H42 -","- C56 H42 -","- C224 H168 -","4","0.5","","Wu, Tsun-Cheng; Chen, Jheng-Jhih; Wu, Yao-Ting","Nickel-catalyzed tetramerization of alkynes: synthesis and structure of octatetraenes.","Organic letters","2011","13","18","4794","4797","10.1021/ol201814q","","","0.71073","MoKα","","0.0517","0.038","","","0.111","0.1351","","","","","","1.169","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502404","10.395","0.0004","11.2458","0.0005","15.6129","0.0006","94.493","0.002","107.09","0.001","100.745","0.002","1696.66","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1,2,3,4,5,6,7,8-Octa(2-thiophenyl)tricyclo[3.2.1.02,7]oct-3-ene","","- C40 H26 S8 -","- C40 H26 S8 -","- C80 H52 S16 -","2","1","","Wu, Tsun-Cheng; Chen, Jheng-Jhih; Wu, Yao-Ting","Nickel-catalyzed tetramerization of alkynes: synthesis and structure of octatetraenes.","Organic letters","2011","13","18","4794","4797","10.1021/ol201814q","","","0.71073","MoKα","","0.0546","0.0402","","","0.1194","0.1526","","","","","","1.088","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502405","9.9211","0.0007","11.141","0.0008","12.3491","0.0009","87.69","0.002","76.15","0.002","84.828","0.002","1319.63","0.16","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","(2E,4E,6E,8E)-4,7-Dimethyl-3,5,6,8-tetraphenyl-2,4,6,8-decatetraene","","- C36 H34 -","- C36 H34 -","- C72 H68 -","2","1","","Wu, Tsun-Cheng; Chen, Jheng-Jhih; Wu, Yao-Ting","Nickel-catalyzed tetramerization of alkynes: synthesis and structure of octatetraenes.","Organic letters","2011","13","18","4794","4797","10.1021/ol201814q","","","0.71073","MoKα","","0.0542","0.0375","","","0.0883","0.0987","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502406","10.4203","0.0002","38.0328","0.0008","10.0996","0.0002","90","","106.116","0.001","90","","3845.31","0.13","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 -","- C56 H42 -","- C224 H168 -","4","1","","Wu, Tsun-Cheng; Chen, Jheng-Jhih; Wu, Yao-Ting","Nickel-catalyzed tetramerization of alkynes: synthesis and structure of octatetraenes.","Organic letters","2011","13","18","4794","4797","10.1021/ol201814q","","","0.71073","MoKα","","0.1038","0.0588","","","0.176","0.2164","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502407","10.2553","0.0002","20.286","0.0005","20.0538","0.0004","90","","104.01","0.001","90","","4047.87","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C57 H44 Cl2 -","- C57 H44 Cl2 -","- C228 H176 Cl8 -","4","1","","Wu, Tsun-Cheng; Chen, Jheng-Jhih; Wu, Yao-Ting","Nickel-catalyzed tetramerization of alkynes: synthesis and structure of octatetraenes.","Organic letters","2011","13","18","4794","4797","10.1021/ol201814q","","","0.71073","MoKα","","0.0878","0.0528","","","0.1464","0.1814","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502408","15.086","0.006","6.17","0.003","16.881","0.007","90","","105.94","0.02","90","","1510.9","1.1","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","","Dunlap, Norma; Lankford, Kevin R.; Pathiranage, Anuradha Liyana; Taylor, Jessica; Reddy, Nikhil; Gouger, Daniel; Singer, Phillip; Griffin, Kent; Reibenspies, Joseph","Three-step synthesis of cyclopropyl peptidomimetics.","Organic letters","2011","13","18","4879","4881","10.1021/ol201828u","","","1.54178","CuKα","","0.1617","0.0949","","","0.2001","0.2444","","","","","","1.012","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502409","22.05","0.003","11.6489","0.0007","26.955","0.003","90","","108.028","0.013","90","","6583.7","1.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H143.2 F24 N8 O30.6 P4 -","- C120 H143.2 F24 N8 O30.6 P4 -","- C240 H286.4 F48 N16 O61.2 P8 -","2","0.5","","Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W.","Pseudocryptand-type [3]pseudorotaxane and ""hook-ring"" polypseudo[2]catenane based on a bis(m-phenylene)-32-crown-10 derivative and bisparaquat derivatives.","Organic letters","2011","13","17","4616","4619","10.1021/ol201837x","","x-ray","1.54178","CuKα","","0.2203","0.1357","","","0.3536","0.4209","","","","","","1.207","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502410","13.4807","0.0006","13.8068","0.0005","26.5793","0.001","92.123","0.003","99.809","0.004","98.463","0.003","4811.9","0.3","99.9","","99.9","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H97.72 F24 N11 O14.37 P4 -","- C88 H97 F24 N11 O14.363 P4 -","- C176 H194 F48 N22 O28.726 P8 -","2","1","","Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W.","Pseudocryptand-type [3]pseudorotaxane and ""hook-ring"" polypseudo[2]catenane based on a bis(m-phenylene)-32-crown-10 derivative and bisparaquat derivatives.","Organic letters","2011","13","17","4616","4619","10.1021/ol201837x","","x-ray","1.54178","CuKα","","0.1571","0.1054","","","0.2556","0.2857","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502411","9.5327","0.0001","14.3362","0.0002","11.4665","0.0005","90","","109.175","0.0008","90","","1480.1","0.07","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H30 O14 -","- C32 H30 O14 -","- C64 H60 O28 -","2","1","","Kikuchi, Haruhisa; Isobe, Masato; Sekiya, Mizuki; Abe, Yuko; Hoshikawa, Tsuyoshi; Ueda, Kazunori; Kurata, Shoichiro; Katou, Yasuhiro; Oshima, Yoshiteru","Structures of the dimeric and monomeric chromanones, gonytolides A-C, isolated from the fungus Gonytrichum sp. and their promoting activities of innate immune responses.","Organic letters","2011","13","17","4624","4627","10.1021/ol2018449","","","1.54187","CuKα","","","0.0688","","","","0.2288","","","","","","1.112","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502412","38.344","0.011","11.346","0.003","18.236","0.005","90","","112.657","0.008","90","","7321","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H31 Cl3 N2 -","- C46 H31 Cl3 N2 -","- C368 H248 Cl24 N16 -","8","1","","Wei, Xiaohong; Zhao, Miao; Du, Zhengyin; Li, Xingwei","Synthesis of 1-aminoisoquinolines via Rh(III)-catalyzed oxidative coupling.","Organic letters","2011","13","17","4636","4639","10.1021/ol2018505","","","0.71073","MoKα","","0.1258","0.0846","","","0.2255","0.2632","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502413","7.1962","0.0002","9.5745","0.0003","21.0083","0.0006","90","","90","","90","","1447.47","0.07","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Ito, Yuji; Takahashi, Kazunori; Nagase, Hiromasa; Honda, Toshio","Integral stereocontrolled synthesis of a spiro-norlignan, sequosempervirin A: revision of absolute configuration.","Organic letters","2011","13","17","4640","4643","10.1021/ol2018533","","","1.54187","CuKα","","","0.049","","","","0.1155","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502414","35.134","0.003","9.7804","0.001","28.186","0.003","90","","124.979","0.001","90","","7935.9","1.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C51 H42 Cl2 -","- C51 H42 Cl2 -","- C408 H336 Cl16 -","8","1","","Chen, Tse-An; Liu, Rai-Shung","Synthesis of large polycyclic aromatic hydrocarbons from bis(biaryl)acetylenes: large planar PAHs with low π-sextets.","Organic letters","2011","13","17","4644","4647","10.1021/ol201854g","","","0.71073","MoKα","","0.062","0.0431","","","0.1061","0.1143","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502415","5.9165","0.0011","15.54","0.003","17.695","0.003","102.054","0.004","92.986","0.004","97.261","0.004","1573.1","0.5","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C50 H36 -","- C50 H36 -","- C100 H72 -","2","1","","Chen, Tse-An; Liu, Rai-Shung","Synthesis of large polycyclic aromatic hydrocarbons from bis(biaryl)acetylenes: large planar PAHs with low π-sextets.","Organic letters","2011","13","17","4644","4647","10.1021/ol201854g","","","0.71073","MoKα","","0.2018","0.095","","","0.2278","0.2755","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502416","9.9898","0.0007","14.5484","0.001","15.5784","0.001","93.462","0.001","94.603","0.001","101.437","0.001","2205.2","0.3","173","","173","","","","","","","","","3","P -1","-P 1","2","bis(TTF)allene","","","- C41.5 H35.5 S12 -","- C41.5 H33.5 S12 -","- C83 H67 S24 -","2","1","","Hasegawa, Masashi; Sone, Yasuto; Iwata, Seiya; Matsuzawa, Hideyo; Mazaki, Yasuhiro","Tetrathiafulvalenylallene: a new class of donor molecules having strong chiroptical properties in neutral and doped states.","Organic letters","2011","13","17","4688","4691","10.1021/ol201857f","","","0.71073","MoKα","","0.055","0.0394","","","0.1045","0.1243","","","","","","1.05","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502417","14.7468","0.0005","5.0698","0.0002","21.3719","0.0007","90","","100.896","0.002","90","","1569.03","0.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","ethyl 5-methoxy-4-(4-methoxybenzamido)pentanoate","","- C16 H23 N O5 -","- C16 H23 N O5 -","- C64 H92 N4 O20 -","4","1","","Cui, Sunliang; Wojtas, Lukasz; Antilla, Jon C.","Pd-catalyzed C4-olefination of oxazoles via C-H bond activation: divergent synthesis of functionalized amino alcohol and amino acid derivatives.","Organic letters","2011","13","19","5040","5043","10.1021/ol201865h","","","1.54178","CuKα","","0.0379","0.0352","","","0.0828","0.0844","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502418","8.2071","0.0013","20.451","0.003","8.7017","0.0015","90","","119.334","0.01","90","","1273.3","0.4","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br F3 O4 -","- C11 H10 Br F3 O4 -","- C44 H40 Br4 F12 O16 -","4","1","","Hoque, Md Mahbubul; Miyamoto, Kazunori; Tada, Norihiro; Shiro, Motoo; Ochiai, Masahito","Synthesis and structure of hypervalent diacetoxybromobenzene and aziridination of olefins with imino-λ3-bromane generated in situ under metal-free conditions.","Organic letters","2011","13","20","5428","5431","10.1021/ol201868n","","","1.54187","CuKα","","","0.0348","","","","0.1074","","","","","","1.181","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502419","6.662","","10.282","","27.01","","90","","90","","90","","1850.15","","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Sau, Míriam; Rodríguez-Escrich, Carles; Pericàs, Miquel A","Copper-free intramolecular alkyne-azide cycloadditions leading to seven-membered heterocycles.","Organic letters","2011","13","19","5044","5047","10.1021/ol201869y","","","0.71073","MoKα","","0.0356","0.034","","","0.0929","0.0944","","","","","","1.09","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502420","27.867","0.003","10.0431","0.0008","14.5453","0.0011","90","","98.547","0.009","90","","4025.6","0.6","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 N5 -","- C24 H23 N5 -","- C192 H184 N40 -","8","1","","Mukhopadhyay, Chhanda; Das, Paramita; Butcher, Ray J.","An expeditious and efficient synthesis of highly functionalized [1,6]-naphthyridines under catalyst-free conditions in aqueous medium.","Organic letters","2011","13","17","4664","4667","10.1021/ol201877v","","","1.54184","CuKα","","0.0604","0.0488","","","0.1328","0.1433","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502421","11.1415","0.0012","18.793","0.002","9.4189","0.001","90","","105.454","0.002","90","","1900.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Cl2 O4 -","- C23 H16 Cl2 O4 -","- C92 H64 Cl8 O16 -","4","1","","Li, Yang; Cao, Rui; Lippard, Stephen J.","Design and synthesis of a novel triptycene-based ligand for modeling carboxylate-bridged diiron enzyme active sites.","Organic letters","2011","13","19","5052","5055","10.1021/ol201882v","","","0.71073","MoKα","","0.0526","0.047","","","0.1317","0.1362","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502422","7.8242","0.0004","17.4981","0.001","19.6551","0.0012","100.75","0.001","95.93","0.001","92.897","0.001","2622.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H29 Cl15 N2 O8 -","- C47 H29 Cl15 N2 O8 -","- C94 H58 Cl30 N4 O16 -","2","1","","Li, Yang; Cao, Rui; Lippard, Stephen J.","Design and synthesis of a novel triptycene-based ligand for modeling carboxylate-bridged diiron enzyme active sites.","Organic letters","2011","13","19","5052","5055","10.1021/ol201882v","","","0.71073","MoKα","","0.0798","0.0677","","","0.1752","0.1849","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502423","15.8758","0.0008","20.1039","0.001","21.5485","0.0011","90","","90","","90","","6877.5","0.6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C66.5 H44 Cl3 F6 Fe2 N2 O17 S2 -","- C66.5 H44 Cl3 F6 Fe2 N2 O17 S2 -","- C266 H176 Cl12 F24 Fe8 N8 O68 S8 -","4","1","","Li, Yang; Cao, Rui; Lippard, Stephen J.","Design and synthesis of a novel triptycene-based ligand for modeling carboxylate-bridged diiron enzyme active sites.","Organic letters","2011","13","19","5052","5055","10.1021/ol201882v","","","0.71073","MoKα","","0.0878","0.082","","","0.2238","0.2311","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502424","8.2013","0.0016","9.0211","0.0017","19.626","0.004","101.298","0.004","92.107","0.004","93.397","0.004","1419.6","0.5","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H49 Cl11 Cu2 N4 O16 -","- C49 H46 Cl11 Cu2 N4 O16 -","- C49 H46 Cl11 Cu2 N4 O16 -","1","0.5","","Jung, Hyo Sung; Han, Ji Hye; Kim, Zee Hwan; Kang, Chulhun; Kim, Jong Seung","Coumarin-Cu(II) ensemble-based cyanide sensing chemodosimeter.","Organic letters","2011","13","19","5056","5059","10.1021/ol2018856","","","0.71073","MoKα","","0.087","0.0571","","","0.1375","0.1566","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502425","9.768","0.002","10.747","0.002","22.023","0.004","90","","90","","90","","2311.9","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O3 -","- C29 H24 N2 O3 -","- C116 H96 N8 O12 -","4","1","","Dong, Shunxi; Liu, Xiaohua; Zhang, Yulong; Lin, Lili; Feng, Xiaoming","Asymmetric synthesis of 3,4-diaminochroman-2-ones promoted by guanidine and bisguanidium salt.","Organic letters","2011","13","19","5060","5063","10.1021/ol2018888","","","1.54178","CuKα","","0.0306","0.029","","","0.0654","0.0694","","","","","","1.091","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502426","11.19","0.002","13.078","0.003","16.013","0.003","90","","90","","90","","2343.4","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O3 -","- C29 H24 N2 O3 -","- C116 H96 N8 O12 -","4","1","","Dong, Shunxi; Liu, Xiaohua; Zhang, Yulong; Lin, Lili; Feng, Xiaoming","Asymmetric synthesis of 3,4-diaminochroman-2-ones promoted by guanidine and bisguanidium salt.","Organic letters","2011","13","19","5060","5063","10.1021/ol2018888","","","1.54178","CuKα","","0.0325","0.0296","","","0.0687","0.0794","","","","","","1.105","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502427","8.9942","0.0005","9.2272","0.0006","12.0198","0.0008","99.073","0.005","104.225","0.005","101.47","0.005","924.97","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O -","- C24 H19 N O -","- C48 H38 N2 O2 -","2","1","","Hong, Deng; Zhu, Yuanxun; Li, Yao; Lin, Xufeng; Lu, Ping; Wang, Yanguang","Three-component synthesis of polysubstituted pyrroles from α-diazoketones, nitroalkenes, and amines.","Organic letters","2011","13","17","4668","4671","10.1021/ol201891r","","","0.71073","MoKα","","0.0715","0.0382","","","0.09","0.0989","","","","","","0.911","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502428","21.9909","0.0008","13.9411","0.0006","6.3316","0.0002","90","","90","","90","","1941.13","0.13","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C92 H80 N8 O12 -","4","1","","Hong, Deng; Zhu, Yuanxun; Li, Yao; Lin, Xufeng; Lu, Ping; Wang, Yanguang","Three-component synthesis of polysubstituted pyrroles from α-diazoketones, nitroalkenes, and amines.","Organic letters","2011","13","17","4668","4671","10.1021/ol201891r","","","1.54184","CuKα","","0.0878","0.0709","","","0.1927","0.2122","","","","","","1.041","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502429","29.2867","0.0013","29.2867","0.0013","10.8321","0.0005","90","","90","","120","","8046.1","0.6","566","2","566","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H17 N O -","- C24 H17 N O -","- C432 H306 N18 O18 -","18","1","","Hong, Deng; Zhu, Yuanxun; Li, Yao; Lin, Xufeng; Lu, Ping; Wang, Yanguang","Three-component synthesis of polysubstituted pyrroles from α-diazoketones, nitroalkenes, and amines.","Organic letters","2011","13","17","4668","4671","10.1021/ol201891r","","","1.54184","CuKα","","0.0492","0.0389","","","0.1026","0.1088","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502430","11.0581","0.0005","11.0581","0.0005","20.481","0.004","90","","90","","90","","2504.4","0.5","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Oxaazapine","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C112 H144 N16 O16 -","8","1","","Pandey, Ganesh; C, Prasanna Kumara","Iminium ion cascade reaction in the total synthesis of (+)-vincadifformine.","Organic letters","2011","13","17","4672","4675","10.1021/ol201892j","","","0.71073","MoKα","","0.0335","0.0309","","","0.0815","0.0841","","","","","","1.081","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502431","12.6266","0.0003","23.2738","0.0005","19.6457","0.0004","90","","95.122","0.002","90","","5750.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H67 Br O10 -","- C54 H67 Br O10 -","- C216 H268 Br4 O40 -","4","1","","Zhang, Zibin; Yu, Guocan; Han, Chengyou; Liu, Jiyong; Ding, Xia; Yu, Yihua; Huang, Feihe","Formation of a cyclic dimer containing two mirror image monomers in the solid state controlled by van der Waals forces.","Organic letters","2011","13","18","4818","4821","10.1021/ol2018938","","","0.71073","MoKα","","0.0559","0.0469","","","0.1344","0.1419","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502432","36.409","0.003","11.5008","0.0005","12.1481","0.0005","90","","90","","90","","5086.8","0.5","293","2","293","2","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C57 H74 O11 -","- C57 H74 O11 -","- C228 H296 O44 -","4","1","","Zhang, Zibin; Yu, Guocan; Han, Chengyou; Liu, Jiyong; Ding, Xia; Yu, Yihua; Huang, Feihe","Formation of a cyclic dimer containing two mirror image monomers in the solid state controlled by van der Waals forces.","Organic letters","2011","13","18","4818","4821","10.1021/ol2018938","","","1.54184","CuKα","","0.1036","0.0887","","","0.2634","0.2921","","","","","","1.111","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502433","9.9577","0.0006","13.8736","0.0008","8.9291","0.0005","90","","96.997","0.002","90","","1224.36","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F2 N O -","- C15 H13 F2 N O -","- C60 H52 F8 N4 O4 -","4","1","","Lin, Riyuan; Ding, Shengtao; Shi, Zhuangzhi; Jiao, Ning","An efficient difluorohydroxylation of indoles using selectfluor as a fluorinating reagent.","Organic letters","2011","13","17","4498","4501","10.1021/ol201896p","","","0.71073","MoKα","","0.0415","0.0382","","","0.1068","0.1108","","","","","","1.1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502434","8.857","0.0001","11.004","0.0001","19.2087","0.0002","90","","90","","90","","1872.13","0.03","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O7 -","- C18 H20 N2 O7 -","- C72 H80 N8 O28 -","4","1","","Shi, Feng; Luo, Shi-Wei; Tao, Zhong-Lin; He, Long; Yu, Jie; Tu, Shu-Jiang; Gong, Liu-Zhu","The catalytic asymmetric 1,3-dipolar cycloaddition of ynones with azomethine ylides.","Organic letters","2011","13","17","4680","4683","10.1021/ol201898x","","","1.54184","CuKα","","0.04","0.0395","","","0.1209","0.1222","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502435","23.8735","0.0004","10.3412","0.0001","23.7886","0.0003","90","","107.843","0.001","90","","5590.45","0.13","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C128 H93 F4 N8 O25 -","- C128 H93 F4 N8 O25 -","- C256 H186 F8 N16 O50 -","2","0.5","","Shi, Feng; Luo, Shi-Wei; Tao, Zhong-Lin; He, Long; Yu, Jie; Tu, Shu-Jiang; Gong, Liu-Zhu","The catalytic asymmetric 1,3-dipolar cycloaddition of ynones with azomethine ylides.","Organic letters","2011","13","17","4680","4683","10.1021/ol201898x","","","1.54184","CuKα","","0.0441","0.0427","","","0.1223","0.1242","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502436","11.6459","0.0008","4.9893","0.0004","16.0289","0.0011","90","","109.236","0.004","90","","879.36","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C42 H38 N2 O4 S2 -","2","1","","Ingle, Gajendrasingh K.; Mormino, Michael G.; Wojtas, Lukasz; Antilla, Jon C.","Chiral phosphoric acid-catalyzed addition of thiols to N-acyl imines: access to chiral N,S-acetals.","Organic letters","2011","13","18","4822","4825","10.1021/ol201899c","","","1.54178","CuKα","","0.0601","0.05","","","0.1155","0.1225","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502437","18.568","","8.451","","16.951","","90","","91.12","","90","","2659.41","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 B N -","- C32 H36 B N -","- C128 H144 B4 N4 -","4","1","","Pan, Hong; Fu, Guang-Liang; Zhao, Yi-Hong; Zhao, Cui-Hua","Through-space charge-transfer emitting biphenyls containing a boryl and an amino group at the o,o'-positions.","Organic letters","2011","13","18","4830","4833","10.1021/ol201909r","","","0.71073","MoKα","","0.0679","0.0508","","","0.1409","0.155","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502438","12.3795","0.0008","16.3654","0.001","21.5944","0.0014","91.21","0.003","94.228","0.003","112.025","0.003","4039","0.5","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C80 H94 Cl9 N7 O7 -","- C80 H94 Cl9 N7 O7 -","- C160 H188 Cl18 N14 O14 -","2","1","","Dzyuba, Egor V.; Kaufmann, Lena; Löw, Nora L; Meyer, Annika K.; Winkler, Henrik D. F.; Rissanen, Kari; Schalley, Christoph A.","CH···O hydrogen bonds in ""clicked"" diketopiperazine-based amide rotaxanes.","Organic letters","2011","13","18","4838","4841","10.1021/ol201915j","","x-ray","0.71073","MoKα","","0.2584","0.1375","","","0.339","0.3956","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502439","25.2131","0.0009","10.2122","0.0004","9.6812","0.0003","90","","92.312","0.002","90","","2490.7","0.15","103","2","103","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C32 H25 F O4 -","- C32 H25 F O4 -","- C128 H100 F4 O16 -","4","1","","Fang, Xinqiang; Chen, Xingkuan; Chi, Yonggui Robin","Enantioselective Diels-Alder reactions of enals and alkylidene diketones catalyzed by N-heterocyclic carbenes.","Organic letters","2011","13","17","4708","4711","10.1021/ol201917u","","","0.71073","MoKα","","0.0521","0.0402","","","0.1046","0.1232","","","","","","1.109","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502440","12.535","0.002","8.525","0.001","10.325","0.001","90","","97.507","0.011","90","","1093.9","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl O4 -","- C11 H9 Cl O4 -","- C44 H36 Cl4 O16 -","4","1","","Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N.","A useful synthetic equivalent of a hydroxyacetone enolate.","Organic letters","2011","13","17","4720","4723","10.1021/ol2019357","","","0.71073","MoKα","","0.0634","0.0419","","","0.0965","0.1029","","","","","","0.954","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502441","8.3121","0.0006","8.8281","0.0005","27.683","0.002","90","","90","","90","","2031.4","0.2","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O12 -","- C17 H22 O12 -","- C68 H88 O48 -","4","1","","Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N.","A useful synthetic equivalent of a hydroxyacetone enolate.","Organic letters","2011","13","17","4720","4723","10.1021/ol2019357","","","0.71073","MoKα","","0.0637","0.0417","","","0.0886","0.0938","","","","","","0.942","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502442","6.458","0.005","10.738","0.001","12.738","0.001","90","","102.324","0.009","90","","863","0.7","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H23 N O7 -","- C15 H23 N O7 -","- C30 H46 N2 O14 -","2","1","","Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N.","A useful synthetic equivalent of a hydroxyacetone enolate.","Organic letters","2011","13","17","4720","4723","10.1021/ol2019357","","","0.71073","MoKα","","0.0712","0.0496","","","0.0941","0.1055","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502443","8.257","0.001","12.014","0.002","9.095","0.001","90","","104.18","0.01","90","","874.7","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H47 N2 O14.5 -","- C30 H47 N2 O14.5 -","- C30 H47 N2 O14.5 -","1","0.5","","Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N.","A useful synthetic equivalent of a hydroxyacetone enolate.","Organic letters","2011","13","17","4720","4723","10.1021/ol2019357","","","0.71073","MoKα","","0.1132","0.0676","","","0.1077","0.125","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502444","11.1402","0.0016","8.2454","0.0011","22.881","0.003","90","","99.42","0.003","90","","2073.4","0.5","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C90 H72 Br4 N12 O11 -","- C90 H72 Br4 N12 O11 -","- C90 H72 Br4 N12 O11 -","1","0.5","","Lan, Yu-Bao; Zhao, Hua; Liu, Zhao-Min; Liu, Guo-Gui; Tao, Jing-Chao; Wang, Xing-Wang","Chiral counteranion synergistic organocatalysis under high temperature: efficient construction of optically pure spiro[cyclohexanone-oxindole] backbone.","Organic letters","2011","13","18","4866","4869","10.1021/ol201943g","","","0.71075","MoKα","","0.0747","0.0455","","","0.067","0.0777","","","","","","0.86","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502445","21.7595","0.0015","5.8572","0.0004","15.7081","0.0011","90","","97.045","0.001","90","","1986.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","11111a","","","- C22 H26 N O3 P -","- C22 H26 N O3 P -","- C88 H104 N4 O12 P4 -","4","1","","DeKorver, Kyle A.; Walton, Mary C.; North, Troy D.; Hsung, Richard P.","Introducing a new class of N-phosphoryl ynamides via Cu(I)-catalyzed amidations of alkynyl bromides.","Organic letters","2011","13","18","4862","4865","10.1021/ol201947b","","","0.71073","MoKα","","0.0656","0.0413","","","0.0901","0.1025","","","","","","1.039","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502446","17.2125","0.0012","13.291","0.0009","9.4159","0.0006","90","","94.299","0.001","90","","2148","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","11116a","","","- C23 H28 N O3 P -","- C23 H28 N O3 P -","- C92 H112 N4 O12 P4 -","4","1","","DeKorver, Kyle A.; Walton, Mary C.; North, Troy D.; Hsung, Richard P.","Introducing a new class of N-phosphoryl ynamides via Cu(I)-catalyzed amidations of alkynyl bromides.","Organic letters","2011","13","18","4862","4865","10.1021/ol201947b","","","0.71073","MoKα","","0.099","0.0743","","","0.1724","0.1832","","","","","","1.141","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502447","5.8722","0.0013","9.695","0.002","9.999","0.002","109.909","0.002","93.647","0.002","97.854","0.002","526.49","0.19","173","2","173","2","","","","","","","","5","P 1","P 1","1","11121z","","","- C23 H28 N O3 P -","- C23 H28 N O3 P -","- C23 H28 N O3 P -","1","1","","DeKorver, Kyle A.; Walton, Mary C.; North, Troy D.; Hsung, Richard P.","Introducing a new class of N-phosphoryl ynamides via Cu(I)-catalyzed amidations of alkynyl bromides.","Organic letters","2011","13","18","4862","4865","10.1021/ol201947b","","","0.71073","MoKα","","0.0679","0.0506","","","0.0926","0.1001","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502448","10.5529","0.0005","10.6825","0.0005","11.6653","0.0006","112.531","0.001","95.396","0.001","108.115","0.001","1119.91","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N5 O2 -","- C27 H23 N5 O2 -","- C54 H46 N10 O4 -","2","1","","Zibinsky, Mikhail; Fokin, Valery V.","Reactivity of N-(1,2,4-triazolyl)-substituted 1,2,3-triazoles.","Organic letters","2011","13","18","4870","4872","10.1021/ol201949h","","","0.71073","MoKα","","0.0357","0.0324","","","0.0802","0.0829","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502449","6.6019","0.0001","7.9218","0.0001","18.1666","0.0004","90","","90","","90","","950.09","0.03","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C24 H48 N8 O16 S8 -","4","1","","Woolven, Holly; González-Rodríguez, Carlos; Marco, Isabel; Thompson, Amber L.; Willis, Michael C.","DABCO-bis(sulfur dioxide), DABSO, as a convenient source of sulfur dioxide for organic synthesis: utility in sulfonamide and sulfamide preparation.","Organic letters","2011","13","18","4876","4878","10.1021/ol201957n","","","0.71073","MoKα","","0.0385","0.0364","","0.0983","0.0946","0.0983","","","","","","0.9777","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502450","11.367","0.002","9.0168","0.0018","11.449","0.002","90","","94.36","0.03","90","","1170.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O8 -","- C24 H24 N2 O8 -","- C48 H48 N4 O16 -","2","1","","Yin, Biao-Lin; Zhang, Ze-Ren; Xu, Li-Wen; Jiang, Huanfeng","Highly facialselective synthesis of pyranose 1,3-oxazines and their ring opening with nucleophiles: a novel entry to 2-C-branched glycosides.","Organic letters","2011","13","19","5088","5091","10.1021/ol2019604","","","0.71073","MoKα","","0.1312","0.0525","","","0.1203","0.186","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502451","25.372","0.004","6.9965","0.0011","13.992","0.002","90","","109.771","0.002","90","","2337.4","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 Br N O3 S -","- C11 H12 Br N O3 S -","- C88 H96 Br8 N8 O24 S8 -","8","1","","Samarakoon, Thiwanka B.; Loh, Joanna K.; Rolfe, Alan; Le, Lisa S.; Yoon, Sun Young; Lushington, Gerald H.; Hanson, Paul R.","A modular reaction pairing approach to the diversity-oriented synthesis of fused- and bridged-polycyclic sultams.","Organic letters","2011","13","19","5148","5151","10.1021/ol201962n","","","0.71073","MoKα","","0.0305","0.0282","","","0.0793","0.0802","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502452","4.8422","0.0015","12.266","0.003","22.2","0.005","90","","91.512","0.007","90","","1318.1","0.6","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H6 F4 N2 O -","- C18 H6 F4 N2 O -","- C72 H24 F16 N8 O4 -","4","1","","Mamada, Masashi; Pérez-Bolívar, César; Anzenbacher, Jr, Pavel","Green synthesis of polycyclic benzimidazole derivatives and organic semiconductors.","Organic letters","2011","13","18","4882","4885","10.1021/ol201973w","","","0.71075","MoKα","","0.0695","0.0462","","","0.0982","0.1082","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502453","5.6443","0.0001","8.8426","0.0002","33.8277","0.0006","90","","90","","90","","1688.35","0.06","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-(-)-1-(4-Bromobenzylidene)-2-isopropenyl-1,2- dihydronaphtho[2,1-b]furan [(S)-(-)-3k]","","- C22 H17 Br O -","- C22 H17 Br O -","- C88 H68 Br4 O4 -","4","1","","Okamoto, Ryuichi; Okazaki, Eri; Noguchi, Keiichi; Tanaka, Ken","Rhodium-catalyzed olefin isomerization/enantioselective intramolecular Alder-ene reaction cascade.","Organic letters","2011","13","18","4894","4897","10.1021/ol201986e","","","1.54187","CuKα","","0.0202","0.0198","","","0.0506","0.0509","","","","","","1.098","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502454","18.0698","0.0006","18.8957","0.0007","19.9815","0.0007","90","0.005","96.632","0.002","90","0.005","6776.9","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H60 Cl4 N8 Pd2 S12 -","- C59 H58 Cl2 N8 Pd2 S12 -","- C236 H232 Cl8 N32 Pd8 S48 -","4","1","","Bejger, Christopher; Davis, Christina M.; Park, Jung Su; M Lynch, Vincent; Love, Jason B.; Sessler, Jonathan L.","Palladium induced macrocyclic preorganization for stabilization of a tetrathiafulvalene mixed-valence dimer.","Organic letters","2011","13","18","4902","4905","10.1021/ol201992x","","","0.71069","MoKα","","0.0585","0.0406","","","0.1078","0.1162","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502455","9.896","0.002","11.39","0.002","12.46","0.003","90","","90","","90","","1404.4","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N3 O -","- C18 H13 N3 O -","- C72 H52 N12 O4 -","4","1","","Chen, Weiliang; Cai, Yunfei; Fu, Xuan; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Enantioselective one-pot synthesis of 2-amino-4-(indol-3-yl)-4H-chromenes.","Organic letters","2011","13","18","4910","4913","10.1021/ol2019949","","","1.54178","CuKα","","0.0458","0.0415","","","0.0842","0.0853","","","","","","1.151","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502456","15.225","0.003","5.1545","0.0009","24.691","0.005","90","","103.279","0.003","90","","1885.9","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O5 -","- C19 H22 N2 O5 -","- C76 H88 N8 O20 -","4","1","","Zhu, Shujie; Dong, Jia; Fu, Shaomin; Jiang, Huanfeng; Zeng, Wei","Cu(II)-catalyzed intermolecular amidation of C-acylimine: a convenient access to gem-diamino acid derivatives.","Organic letters","2011","13","18","4914","4917","10.1021/ol2019955","","","0.71073","MoKα","","0.075","0.0487","","","0.1344","0.1518","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502457","7.6066","0.0001","9.2391","0.0001","14.9025","0.0002","83.0578","0.0007","87.1663","0.0007","84.9449","0.0006","1034.8","0.02","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N O4 -","- C24 H29 N O4 -","- C48 H58 N2 O8 -","2","1","","Sladojevich, Filippo; Michaelides, Iacovos N.; Benjamin, Darses; Ward, John W.; Dixon, Darren J.","Expedient Route to the functionalized calyciphylline A-type skeleton via a Michael addition-RCM strategy.","Organic letters","2011","13","19","5132","5135","10.1021/ol202000w","","","0.71073","MoKα","","0.0652","0.043","","0.1377","0.1043","0.1377","","","","","","0.9617","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502458","9.2396","0.0001","14.8406","0.0002","27.0972","0.0003","90","","90","","90","","3715.6","0.08","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C184 H216 N8 O16 -","8","1","","Sladojevich, Filippo; Michaelides, Iacovos N.; Benjamin, Darses; Ward, John W.; Dixon, Darren J.","Expedient Route to the functionalized calyciphylline A-type skeleton via a Michael addition-RCM strategy.","Organic letters","2011","13","19","5132","5135","10.1021/ol202000w","","","0.71073","MoKα","","0.0764","0.0446","","0.1409","0.1044","0.1409","","","","","","0.9789","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502459","27.1086","0.0004","5.9741","0.0001","29.628","0.002","90","","113.48","0.008","90","","4400.9","0.4","85","2","85","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C27 H29 N O3 -","- C27 H29 N O3 -","- C216 H232 N8 O24 -","8","1","","Ward, Amanda F.; Wolfe, John P.","Stereoselective synthesis of substituted 1,3-oxazolidines via Pd-catalyzed carboamination reactions of O-vinyl-1,2-amino alcohols.","Organic letters","2011","13","17","4728","4731","10.1021/ol2020048","","","1.54187","CuKα","","0.0915","0.0672","","","0.175","0.1983","","","","","","1.09","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502460","9.2829","0.0002","5.7495","0.0001","38.036","0.003","90","","95.679","0.007","90","","2020.09","0.17","85","2","85","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C88 H116 N4 O16 -","4","2","","Ward, Amanda F.; Wolfe, John P.","Stereoselective synthesis of substituted 1,3-oxazolidines via Pd-catalyzed carboamination reactions of O-vinyl-1,2-amino alcohols.","Organic letters","2011","13","17","4728","4731","10.1021/ol2020048","","","1.54178","CuKα","","0.0346","0.033","","","0.0832","0.084","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502461","8.786","0.0002","10.5897","0.0002","29.0329","0.0005","90","","90","","90","","2701.25","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H31 N3 O6 -","- C31 H31 N3 O6 -","- C124 H124 N12 O24 -","4","1","","Yang, Zhicai; Jin, Xiaomin; Guaciaro, Michael; Molino, Bruce F.; Mocek, Ursula; Reategui, Ricardo; Rhea, Joshua; Morley, Tim","The revised structure, total synthesis, and absolute configuration of streptophenazine A.","Organic letters","2011","13","20","5436","5439","10.1021/ol202005u","","x-ray","1.54178","CuKα","","0.0334","0.0323","","","0.0855","0.0864","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502462","11.7004","0.0012","15.9776","0.0013","7.1602","0.0006","90","","107.25","0.005","90","","1278.4","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Zhao, Weiwen; Wang, Ruiyao; Mosey, Nicholas J.; Petitjean, Anne","Alkoxyamine-derived formamidines: configurational control and molecular folding.","Organic letters","2011","13","19","5160","5163","10.1021/ol202032k","","","0.71073","MoKα","","0.0717","0.0441","","","0.1017","0.1172","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502463","16.0446","0.0014","4.764","0.0004","13.4292","0.0015","90","","94.887","0.007","90","","1022.75","0.17","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Zhao, Weiwen; Wang, Ruiyao; Mosey, Nicholas J.; Petitjean, Anne","Alkoxyamine-derived formamidines: configurational control and molecular folding.","Organic letters","2011","13","19","5160","5163","10.1021/ol202032k","","","0.71073","MoKα","","0.0649","0.0481","","","0.1157","0.1274","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502464","5.178","0.0002","7.4431","0.0003","22.6665","0.0009","85.6807","0.0019","87.5095","0.0019","80.988","0.002","859.9","0.06","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C32 H36 N12 O8 -","4","2","","Zhao, Weiwen; Wang, Ruiyao; Mosey, Nicholas J.; Petitjean, Anne","Alkoxyamine-derived formamidines: configurational control and molecular folding.","Organic letters","2011","13","19","5160","5163","10.1021/ol202032k","","","0.71073","MoKα","","0.0578","0.055","","","0.1325","0.1337","","","","","","1.25","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502465","9.764","0.003","4.8363","0.0015","45.628","0.014","90","","91.567","0.005","90","","2153.8","1.1","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N5 O4 -","- C23 H19 N5 O4 -","- C92 H76 N20 O16 -","4","1","","Zhao, Weiwen; Wang, Ruiyao; Mosey, Nicholas J.; Petitjean, Anne","Alkoxyamine-derived formamidines: configurational control and molecular folding.","Organic letters","2011","13","19","5160","5163","10.1021/ol202032k","","","0.71073","MoKα","","0.1782","0.1444","","","0.329","0.3461","","","","","","1.146","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502466","5.8404","0.0003","12.8879","0.0005","18.2216","0.0006","90","","90","","90","","1371.55","0.1","293","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C48 H84 N4 O12 S4 -","4","1","","Ruan, Shu-Tang; Luo, Jie-Min; Du, Yu; Huang, Pei-Qiang","Asymmetric vinylogous Mannich reactions: a versatile approach to functionalized heterocycles.","Organic letters","2011","13","18","4938","4941","10.1021/ol2020384","","","0.71073","MoKα","","0.0635","0.0433","","","0.0672","0.0711","","","","","","0.925","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502467","9.864","0.0005","13.424","0.0009","18.0592","0.0009","81.355","0.005","89.502","0.004","79.46","0.005","2323.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O5 -","- C27 H22 N2 O5 -","- C108 H88 N8 O20 -","4","2","","Fernández-García, Jesús Manuel; Fernández-Rodríguez, Manuel Á; Aguilar, Enrique","Catalytic intermolecular hetero-dehydro-Diels-Alder cycloadditions: regio- and diasteroselective synthesis of 5,6-dihydropyridin-2-ones.","Organic letters","2011","13","19","5172","5175","10.1021/ol202046y","","","0.71073","MoKα","","0.1262","0.0422","","","0.0871","0.1138","","","","","","0.774","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502468","7.6533","0.0007","9.2536","0.0007","12.3889","0.0006","88.167","0.005","78.383","0.006","70.917","0.007","811.64","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C34 H36 N4 O4 S2 -","2","1","","Biswas, Kallolmay; Greaney, Michael F.","Insertion of arynes into thioureas: a new amidine synthesis.","Organic letters","2011","13","18","4946","4949","10.1021/ol202049v","","","0.71073","MoKα","","0.0506","0.0384","","0.0804","0.0729","0.0804","","","","","","0.9508","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502469","8.2196","0.0002","10.2119","0.0003","20.8765","0.0005","95.474","0.002","91.073","0.002","98.682","0.002","1723.37","0.08","100","2","100","","","","","","","","Kallolmay Biswas","4","P -1","-P 1","2","","","","- C21 H20 N2 S -","- C21 H20 N2 S -","- C84 H80 N8 S4 -","4","2","","Biswas, Kallolmay; Greaney, Michael F.","Insertion of arynes into thioureas: a new amidine synthesis.","Organic letters","2011","13","18","4946","4949","10.1021/ol202049v","","","1.5418","CuKα","","0.0449","0.042","","","0.1104","0.1137","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502470","23.426","0.002","18.992","0.002","6.205","0.0004","90","","90","","90","","2760.6","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,Z)-1-(4-bromophenyl)-4,4-dimethyl-3-[(5-oxofuran- 2(5H)-ylidene)]pentyl (1R,2S,5R)-2-isopropyl-5-methyl cyclohexyl carbonate","","- C28 H37 Br O5 -","- C28 H37 Br O5 -","- C112 H148 Br4 O20 -","4","1","","Curti, Claudio; Battistini, Lucia; Sartori, Andrea; Lodola, Alessio; Mor, Marco; Rassu, Gloria; Pelosi, Giorgio; Zanardi, Franca; Casiraghi, Giovanni","Catalytic, asymmetric hypervinylogous Mukaiyama aldol reactions of extended furan-based silyl enolates.","Organic letters","2011","13","17","4738","4741","10.1021/ol2020626","","","1.5418","CuKα","","0.0677","0.0483","","","0.1395","0.1558","","","","","","0.953","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502471","6.025","0.003","8.067","0.003","14.859","0.006","90","","92.998","0.007","90","","721.2","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Cl O -","- C18 H15 Cl O -","- C36 H30 Cl2 O2 -","2","1","","Wang, Yazhou; Feng, Xiangqing; Du, Haifeng","Kinetic resolution of hindered Morita-Baylis-Hillman adducts by Rh(I)-catalyzed asymmetric 1,4-addition/β-hydroxyelimination.","Organic letters","2011","13","18","4954","4957","10.1021/ol202069e","","","0.71073","MoKα","","0.0604","0.0553","","","0.1345","0.14","","","","","","1.093","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502472","10.236","0.004","7.645","0.003","14.941","0.007","90","","104.633","0.008","90","","1131.3","0.8","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H24 O6 S2 -","- C27 H24 O6 S2 -","- C54 H48 O12 S4 -","2","1","","Gu, Qing; You, Shu-Li","Desymmetrization of cyclohexadienones via asymmetric Michael reaction catalyzed by cinchonine-derived urea.","Organic letters","2011","13","19","5192","5195","10.1021/ol202073p","","","0.71073","MoKα","","0.0919","0.054","","","0.086","0.0969","","","","","","0.907","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502473","13.1485","0.0016","16.858","0.002","25.981","0.003","90","","90","","90","","5758.9","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H34 N2 O2 S -","- C34 H34 N2 O2 S -","- C272 H272 N16 O16 S8 -","8","1","","Cheng, Jiajia; Jiang, Xuefeng; Ma, Shengming","Palladium-catalyzed approach to stereodefined ten-membered cycles from 1,5-bisallenes.","Organic letters","2011","13","19","5200","5203","10.1021/ol202074e","","","0.71073","MoKα","","0.159","0.0697","","","0.1677","0.1999","","","","","","0.853","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502474","15.4711","0.0009","9.7718","0.0006","39.174","0.002","90","","90","","90","","5922.3","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Br2 N O4 -","- C31 H37 Br2 N O4 -","- C248 H296 Br16 N8 O32 -","8","1","","Cheng, Jiajia; Jiang, Xuefeng; Ma, Shengming","Palladium-catalyzed approach to stereodefined ten-membered cycles from 1,5-bisallenes.","Organic letters","2011","13","19","5200","5203","10.1021/ol202074e","","","0.71073","MoKα","","0.0589","0.0388","","","0.084","0.0939","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502475","15.3311","0.0005","8.9614","0.0002","18.9054","0.0006","90","","103.569","0.004","90","","2524.88","0.13","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C136 H112 O16 -","8","1","","Chai, Guobi; Qiu, Youai; Fu, Chunling; Ma, Shengming","Efficient assembly of chromone skeleton from 2,3-allenoic acids and benzynes.","Organic letters","2011","13","19","5196","5199","10.1021/ol202076c","","","0.71073","MoKα","","0.0462","0.0372","","","0.0906","0.0961","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502476","4.665","0.002","7.757","0.004","20.266","0.008","96.79","0.01","94","0.01","92","0.01","725.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2'-[(2,5-dimethoxy-1,4-phenylene)bis(methylene)]bis(3-bromo-5-hexylthiophene)","","- C30 H40 Br2 O2 S2 -","- C30 H40 Br2 O2 S2 -","- C30 H40 Br2 O2 S2 -","1","0.5","","Tylleman, Benoît; Vande Velde, Christophe M. L.; Balandier, Jean-Yves; Stas, Sara; Sergeyev, Sergey; Geerts, Yves Henri","Synthesis of isomerically pure anti-anthradithiophene derivatives.","Organic letters","2011","13","19","5208","5211","10.1021/ol202089t","","","0.71073","MoKα","","0.1122","0.0926","","","0.2385","0.2471","","","","","","1.295","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502477","6.5606","0.0012","7.3288","0.0013","13.452","0.002","83.044","0.003","87.215","0.003","77.447","0.003","626.52","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,8-dihexylanthra[2,3-b:6,7-b']dithiophene-5,11-dione","","- C30 H32 O2 S2 -","- C30 H32 O2 S2 -","- C30 H32 O2 S2 -","1","0.5","","Tylleman, Benoît; Vande Velde, Christophe M. L.; Balandier, Jean-Yves; Stas, Sara; Sergeyev, Sergey; Geerts, Yves Henri","Synthesis of isomerically pure anti-anthradithiophene derivatives.","Organic letters","2011","13","19","5208","5211","10.1021/ol202089t","","","0.71073","MoKα","","0.0699","0.051","","","0.1188","0.1322","","","","","","1.015","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502478","9.821","0.004","7.317","0.003","10.846","0.004","90","","108.497","0.005","90","","739.1","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C36 H36 N4 O2 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey; Cook, James M.","Regiospecific, enantiospecific total synthesis of C-19 methyl substituted sarpagine alkaloids dihydroperaksine-17-al and dihydroperaksine.","Organic letters","2011","13","19","5216","5219","10.1021/ol202101p","","","0.71073","MoKα","","0.0613","0.0566","","","0.144","0.1507","","","","","","1.076","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502479","9.6259","0.0005","12.6135","0.0008","17.7779","0.0011","90","","90","","90","","2158.5","0.2","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 O4 -","- C28 H22 O4 -","- C112 H88 O16 -","4","1","","Biswas, Anup; De Sarkar, Suman; Fröhlich, Roland; Studer, Armido","Highly stereoselective synthesis of 1,2,3-trisubstituted indanes via oxidative N-heterocyclic carbene-catalyzed cascades.","Organic letters","2011","13","18","4966","4969","10.1021/ol202108a","","","1.54178","CuKα","","0.0919","0.0551","","","0.1235","0.1527","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502480","7.4161","0.0011","13.563","0.002","29.24","0.004","90","","90","","90","","2941.1","0.7","291","2","291","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H14 N2 S -","- C18 H14 N2 S -","- C144 H112 N16 S8 -","8","2","","Huang, Guoli; Sun, Hongsheng; Qiu, Xiaojie; Jin, Can; Lin, Chen; Shen, Yingzhong; Jiang, Juli; Wang, Leyong","Ligand-free copper-catalyzed regioselective C-2 arylation of imidazo[2,1-b]thiazoles.","Organic letters","2011","13","19","5224","5227","10.1021/ol2021109","","","0.71073","MoKα","","0.0914","0.0606","","","0.1339","0.1417","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502481","7.1095","0.0001","13.99","0.0001","25.1839","0.0002","90","","90.451","0.001","90","","2504.76","0.04","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","Mattson 1804","","","- C32 H24 O3 Si -","- C32 H24 O3 Si -","- C128 H96 O12 Si4 -","4","1","","Schafer, Andrew G.; Wieting, Joshua M.; Mattson, Anita E.","Silanediols: a new class of hydrogen bond donor catalysts.","Organic letters","2011","13","19","5228","5231","10.1021/ol2021115","","x-ray","0.71073","MoKα","","0.0693","0.0429","","","0.1103","0.1234","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502482","13.1314","0.0009","5.8958","0.0004","15.9344","0.0011","90","","109.439","0.002","90","","1163.32","0.14","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 Br O5 -","- C26 H25 Br O5 -","- C52 H50 Br2 O10 -","2","1","","Liu, Chen; Dou, Xiaowei; Lu, Yixin","Organocatalytic asymmetric aldol reaction of hydroxyacetone with β,γ-unsaturated α-keto esters: facile access to chiral tertiary alcohols.","Organic letters","2011","13","19","5248","5251","10.1021/ol2021274","","","0.71073","MoKα","","0.0591","0.0521","","","0.1045","0.1082","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502483","7.8299","0.0014","8.1023","0.0014","21.225","0.004","90","","90","","90","","1346.5","0.4","173","2","173","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 -","- C18 H20 -","- C72 H80 -","4","1","","García-García, Patricia; Martínez, Alberto; Sanjuán, Ana M; Fernández-Rodríguez, Manuel A; Sanz, Roberto","Gold(I)-catalyzed tandem cyclization-selective migration reaction of 1,3-dien-5-ynes: regioselective synthesis of highly substituted benzenes.","Organic letters","2011","13","18","4970","4973","10.1021/ol202129n","","","0.71073","MoKα","","0.0678","0.0583","","","0.1425","0.1543","","","","","","1.025","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502484","13.6531","0.0009","13.6881","0.0008","14.2989","0.001","82.661","0.005","66.722","0.006","62.953","0.006","2181.8","0.3","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H40 S -","- C60 H40 S -","- C120 H80 S2 -","2","1","","Huang, Huanan; Li, Jing; Lescop, Christophe; Duan, Zheng","Palladium-catalyzed regioselective C-S bond cleavage of thiophenes.","Organic letters","2011","13","19","5252","5255","10.1021/ol2021302","","","0.71073","MoKα","","0.0626","0.0424","","","0.0904","0.098","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502485","11.179","0.005","12.528","0.005","17.631","0.005","83.243","0.005","85.577","0.005","80.954","0.005","2417.3","1.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H36 F4 S -","- C60 H36 F4 S -","- C120 H72 F8 S2 -","2","1","","Huang, Huanan; Li, Jing; Lescop, Christophe; Duan, Zheng","Palladium-catalyzed regioselective C-S bond cleavage of thiophenes.","Organic letters","2011","13","19","5252","5255","10.1021/ol2021302","","","0.71069","MoKα","","0.1675","0.0712","","","0.1711","0.206","","","","","","0.847","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502486","13.8181","0.0006","24.0094","0.0012","15.1905","0.0007","90","","96.848","0.004","90","","5003.7","0.4","290.65","","290.65","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H52 Cl2 S -","- C63 H52 Cl2 S -","- C252 H208 Cl8 S4 -","4","1","","Huang, Huanan; Li, Jing; Lescop, Christophe; Duan, Zheng","Palladium-catalyzed regioselective C-S bond cleavage of thiophenes.","Organic letters","2011","13","19","5252","5255","10.1021/ol2021302","","","1.5418","CuKα","","0.095","0.0658","","","0.1748","0.1984","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502487","15.2541","0.0003","13.8703","0.0002","19.9768","0.0003","90","","111.199","0.002","90","","3940.65","0.12","291.15","","291.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 S -","- C52 H40 S -","- C208 H160 S4 -","4","1","","Huang, Huanan; Li, Jing; Lescop, Christophe; Duan, Zheng","Palladium-catalyzed regioselective C-S bond cleavage of thiophenes.","Organic letters","2011","13","19","5252","5255","10.1021/ol2021302","","","1.5418","CuKα","","0.0695","0.0527","","","0.1512","0.1656","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502488","6.271","0.002","11.677","0.004","14.082","0.004","91.928","0.005","101.251","0.005","99.162","0.005","996.2","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N2 O8 S -","- C19 H22 N2 O8 S -","- C38 H44 N4 O16 S2 -","2","1","","Tuo, Shi-Chuan; Ye, Jian-Liang; Wang, Ai-E; Huang, Su-Yu; Huang, Pei-Qiang","Concise asymmetric total synthesis of 9-epi-sessilifoliamide J.","Organic letters","2011","13","19","5270","5273","10.1021/ol202140y","","","0.71073","MoKα","","0.0555","0.0439","","","0.127","0.1358","","","","","","1.072","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502489","21.77","0.0007","12.9719","0.0004","14.4182","0.0005","90","","94.7022","0.0004","90","","4058","0.2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H32 N4 O19 -","- C38 H32 N4 O19 -","- C152 H128 N16 O76 -","4","1","","Peng, Wenjie; Jayasuriya, Anushka B.; Imamura, Akihiro; Lowary, Todd L.","Synthesis of the 6-O-methyl-D-glycero-α-L-gluco-heptopyranose moiety present in the capsular polysaccharide from Campylobacter jejuni NCTC 11168.","Organic letters","2011","13","19","5290","5293","10.1021/ol202152r","","","0.71073","MoKα","","0.036","0.0343","","","0.0926","0.0943","","","","","","1.045","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502490","10.7995","0.0006","13.1022","0.0007","17.6868","0.0008","90","","103.862","0.001","90","","2429.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Cl2 N2 O3 S -","- C27 H20 Cl2 N2 O3 S -","- C108 H80 Cl8 N8 O12 S4 -","4","1","","Namitharan, Kayambu; Pitchumani, Kasi","Copper(I)-catalyzed three component reaction of sulfonyl azide, alkyne, and nitrone cycloaddition/rearrangement cascades: a novel one-step synthesis of imidazolidin-4-ones.","Organic letters","2011","13","21","5728","5731","10.1021/ol202164x","","","0.71073","MoKα","","0.0608","0.0415","","","0.1176","0.1348","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502491","8.974","0.009","14.304","0.014","24.8","0.02","90","","90","","90","","3183","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 N2 O10 -","- C32 H34 N2 O10 -","- C128 H136 N8 O40 -","4","1","","Sun, Deqian; Zhao, Qiwu; Li, Chaozhong","Total synthesis of (+)-decursivine.","Organic letters","2011","13","19","5302","5305","10.1021/ol2021669","","","0.71073","MoKα","","0.0694","0.0495","","","0.1036","0.1118","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502492","12.793","0.016","13.184","0.016","21.65","0.03","90","","90","","90","","3652","8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 N2 O9 S -","- C40 H40 N2 O9 S -","- C160 H160 N8 O36 S4 -","4","1","","Sun, Deqian; Zhao, Qiwu; Li, Chaozhong","Total synthesis of (+)-decursivine.","Organic letters","2011","13","19","5302","5305","10.1021/ol2021669","","","0.71073","MoKα","","0.2325","0.0664","","","0.0868","0.1368","","","","","","0.842","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502493","11.641","0.004","13.621","0.004","8.8","0.004","90","","99.28","0.02","90","","1377.1","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Wrigglesworth, Joe W.; Cox, Brian; Lloyd-Jones, Guy C; Booker-Milburn, Kevin I","New heteroannulation reactions of N-alkoxybenzamides by Pd(II) catalyzed C-H activation.","Organic letters","2011","13","19","5326","5329","10.1021/ol202187h","","","1.54178","CuKα","","0.1617","0.096","","","0.2025","0.2471","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502494","8.0942","0.001","34.437","0.004","9.1647","0.0011","90","","90.491","0.002","90","","2554.5","0.5","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 I -","- C15 H15 I -","- C120 H120 I8 -","8","2","","Liu, Hui; Chen, Chen; Wang, Limin; Tong, Xiaofeng","Pd(0)-catalyzed iodoalkynation of norbornene scaffolds: the remarkable solvent effect on reaction pathway.","Organic letters","2011","13","19","5072","5075","10.1021/ol2022388","","","0.71073","MoKα","","0.1035","0.0958","","","0.2388","0.2431","","","","","","1.241","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502495","8.521","0.0008","8.5892","0.0008","16.5795","0.0015","90","","104.826","0.001","90","","1173.03","0.19","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H32 O4 -","- C28 H32 O4 -","- C56 H64 O8 -","2","1","","Nicolaou, K. C.; Sun, Ya-Ping; Sarlah, David; Zhan, Weiqiang; Wu, T. Robert","Bioinspired synthesis of hirsutellones A, B, and C.","Organic letters","2011","13","20","5708","5710","10.1021/ol202239u","","","0.71073","MoKα","","0.0683","0.0453","","","0.1034","0.1167","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502496","7.949","0.008","9.108","0.009","19.91","0.02","96.996","0.016","91.269","0.016","101.912","0.016","1398","2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H34 O6 -","- C33 H34 O6 -","- C66 H68 O12 -","2","1","","Snyder, Scott A.; Brill, Zachary G.","Structural revision and total synthesis of caraphenol B and C.","Organic letters","2011","13","20","5524","5527","10.1021/ol2022406","","","0.71073","MoKα","","0.1784","0.0619","","","0.0985","0.1247","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502497","13.7829","0.0011","12.6372","0.001","19.3995","0.0016","90","","91.496","0.001","90","","3377.8","0.5","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 O8 -","- C41 H42 O8 -","- C164 H168 O32 -","4","1","","Snyder, Scott A.; Brill, Zachary G.","Structural revision and total synthesis of caraphenol B and C.","Organic letters","2011","13","20","5524","5527","10.1021/ol2022406","","","0.71073","MoKα","","0.112","0.0648","","","0.1716","0.1994","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502498","11.743","0.003","5.2952","0.0012","25.14","0.006","90","","93.61","0.004","90","","1560.1","0.7","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C37 H40 O8 -","- C37 H40 O8 -","- C74 H80 O16 -","2","1","","Snyder, Scott A.; Brill, Zachary G.","Structural revision and total synthesis of caraphenol B and C.","Organic letters","2011","13","20","5524","5527","10.1021/ol2022406","","","0.71073","MoKα","","0.1256","0.056","","","0.086","0.1022","","","","","","0.823","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502499","6.7081","0.0013","11.086","0.002","11.437","0.002","71.59","0.03","75.66","0.03","81.7","0.03","779.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Qi, Chaorong; Jiang, Huanfeng; Huang, Liangbin; Yuan, Gaoqing; Ren, Yanwei","Carbon dioxide triggered and copper-catalyzed domino reaction: efficient construction of highly substituted 3(2H)-furanones from nitriles and propargylic alcohols.","Organic letters","2011","13","20","5520","5523","10.1021/ol202241r","","","0.71073","MoKα","","0.11","0.057","","","0.1631","0.2609","","","","","","1.12","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502500","7.1319","0.0001","10.2706","0.0001","24.8328","0.0002","90","","90","","90","","1818.98","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N3 O7 -","- C19 H21 N3 O7 -","- C76 H84 N12 O28 -","4","1","","Fu, Peng; Liu, Peipei; Li, Xia; Wang, Yi; Wang, Shuxia; Hong, Kui; Zhu, Weiming","Cyclic bipyridine glycosides from the marine-derived actinomycete Actinoalloteichus cyanogriseus WH1-2216-6.","Organic letters","2011","13","22","5948","5951","10.1021/ol202245s","","","1.54178","CuKα","","0.0295","0.0282","","","0.0733","0.0747","","","","","","1.075","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502501","24.47","0.003","24.47","0.003","7.359","0.001","90","","90","","90","","4406.4","1","298","2","298","2","","","","","","","","4","I 4","I 4","79","","","","- C19 H27.25 N2 O9.63 -","- C19 H27.26 N2 O9.625 -","- C152 H218.08 N16 O77 -","8","1","","Fu, Peng; Liu, Peipei; Li, Xia; Wang, Yi; Wang, Shuxia; Hong, Kui; Zhu, Weiming","Cyclic bipyridine glycosides from the marine-derived actinomycete Actinoalloteichus cyanogriseus WH1-2216-6.","Organic letters","2011","13","22","5948","5951","10.1021/ol202245s","","","0.71073","MoKα","","0.1903","0.0985","","","0.2179","0.2495","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502502","7.2572","0.0009","10.3636","0.0012","25.073","0.003","90","","90","","90","","1885.8","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N3 O7 -","- C19 H21 N3 O7 -","- C76 H84 N12 O28 -","4","1","","Fu, Peng; Liu, Peipei; Li, Xia; Wang, Yi; Wang, Shuxia; Hong, Kui; Zhu, Weiming","Cyclic bipyridine glycosides from the marine-derived actinomycete Actinoalloteichus cyanogriseus WH1-2216-6.","Organic letters","2011","13","22","5948","5951","10.1021/ol202245s","","","0.71073","MoKα","","0.0641","0.038","","","0.0799","0.0938","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502503","10.1002","0.0002","13.2118","0.0003","16.2598","0.0003","90","","90","","90","","2169.74","0.08","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 O4 -","- C27 H26 O4 -","- C108 H104 O16 -","4","1","","Lv, Hui; Mo, Junming; Fang, Xinqiang; Chi, Yonggui Robin","Formal Diels-Alder reactions of chalcones and formylcyclopropanes catalyzed by chiral N-heterocyclic carbenes.","Organic letters","2011","13","19","5366","5369","10.1021/ol202250s","","","0.71073","MoKα","","0.0425","0.0361","","","0.0982","0.1077","","","","","","1.076","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502504","15.3997","0.0005","6.0444","0.0003","23.8606","0.001","90","","100.45","0.001","90","","2184.15","0.16","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H20 Br2 O3 -","- C26 H20 Br2 O3 -","- C104 H80 Br8 O12 -","4","2","","Lv, Hui; Mo, Junming; Fang, Xinqiang; Chi, Yonggui Robin","Formal Diels-Alder reactions of chalcones and formylcyclopropanes catalyzed by chiral N-heterocyclic carbenes.","Organic letters","2011","13","19","5366","5369","10.1021/ol202250s","","","0.71073","MoKα","","0.0426","0.0316","","","0.0604","0.0638","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502505","7.7053","0.0004","13.2135","0.0007","13.4615","0.0008","76.246","0.002","84.746","0.002","79.465","0.002","1307.17","0.12","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H26 Br2 N4 O3 -","- C28 H26 Br2 N4 O3 -","- C56 H52 Br4 N8 O6 -","2","2","","Wanner, Benedikt; Mahatthananchai, Jessada; Bode, Jeffrey W.","Enantioselective synthesis of dihydropyridinones via NHC-catalyzed aza-Claisen reaction.","Organic letters","2011","13","19","5378","5381","10.1021/ol202272t","","","0.71073","MoKα","","0.031","0.0255","","","0.0485","0.0498","","","","","","0.981","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502506","23.5483","0.0011","5.9268","0.0003","11.3734","0.0005","90","","104.05","0.003","90","","1539.85","0.13","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H20 Cl N O3 S -","- C14 H20 Cl N O3 S -","- C56 H80 Cl4 N4 O12 S4 -","4","1","","Zhong, Cheng; Wang, Yikai; Hung, Alvin W.; Schreiber, Stuart L.; Young, Damian W.","Diastereoselective control of intramolecular aza-Michael reactions using achiral catalysts.","Organic letters","2011","13","20","5556","5559","10.1021/ol202276h","","","0.71073","MoKα","","0.0406","0.0318","","","0.0686","0.0724","","","","","","1.037","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502507","10.2144","0.0008","5.5884","0.0004","13.5096","0.0011","90","","98.294","0.004","90","","763.09","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H22 N2 O4 -","- C16 H22 N2 O4 -","- C32 H44 N4 O8 -","2","1","","Zhong, Cheng; Wang, Yikai; Hung, Alvin W.; Schreiber, Stuart L.; Young, Damian W.","Diastereoselective control of intramolecular aza-Michael reactions using achiral catalysts.","Organic letters","2011","13","20","5556","5559","10.1021/ol202276h","","","1.54178","CuKα","","0.0323","0.032","","","0.0839","0.0844","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502508","10.3717","0.0002","16.0215","0.0003","24.5159","0.0004","90","","90","","90","","4073.81","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H52 N4 O8 -","- C44 H52 N4 O8 -","- C176 H208 N16 O32 -","4","1","","Zhong, Cheng; Wang, Yikai; Hung, Alvin W.; Schreiber, Stuart L.; Young, Damian W.","Diastereoselective control of intramolecular aza-Michael reactions using achiral catalysts.","Organic letters","2011","13","20","5556","5559","10.1021/ol202276h","","","1.54178","CuKα","","0.027","0.0268","","","0.0678","0.068","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502509","12.7","0.003","8.476","0.0018","19.349","0.004","90","","94.229","0.003","90","","2077.2","0.8","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O2 S Si -","- C22 H25 N O2 S Si -","- C88 H100 N4 O8 S4 Si4 -","4","1","","Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro","Dehydrogenative Diels-Alder reaction.","Organic letters","2011","13","19","5390","5393","10.1021/ol202283d","","","0.71073","MoKα","","0.056","0.0477","","","0.1326","0.1411","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502510","18.035","0.003","10.731","0.0015","11.3278","0.0015","90","","101.024","0.002","90","","2151.9","0.5","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 F N O2 S Si -","- C22 H24 F N O2 S Si -","- C88 H96 F4 N4 O8 S4 Si4 -","4","1","","Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro","Dehydrogenative Diels-Alder reaction.","Organic letters","2011","13","19","5390","5393","10.1021/ol202283d","","","0.71073","MoKα","","0.0683","0.0555","","","0.1524","0.1651","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502511","18.3078","0.0013","10.835","0.0008","11.5876","0.0008","90","","103.219","0.001","90","","2237.7","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O3 S Si -","- C23 H27 N O3 S Si -","- C92 H108 N4 O12 S4 Si4 -","4","1","","Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro","Dehydrogenative Diels-Alder reaction.","Organic letters","2011","13","19","5390","5393","10.1021/ol202283d","","","0.71073","MoKα","","0.0558","0.0474","","","0.1321","0.1403","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502512","15.3585","0.001","15.4826","0.001","9.8612","0.0007","90","","97.621","0.001","90","","2324.2","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N O2 S Si -","- C26 H27 N O2 S Si -","- C104 H108 N4 O8 S4 Si4 -","4","1","","Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro","Dehydrogenative Diels-Alder reaction.","Organic letters","2011","13","19","5390","5393","10.1021/ol202283d","","","0.71073","MoKα","","0.0746","0.0554","","","0.1427","0.1563","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502513","7.468","0.003","19.561","0.008","11.277","0.004","90","","90","","90","","1647.4","1.1","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H17 N -","- C23 H17 N -","- C92 H68 N4 -","4","1","","Ren, Zhi-Hui; Zhang, Zhi-Yuan; Yang, Bing-Qin; Wang, Yao-Yu; Guan, Zheng-Hui","Copper-catalyzed coupling of oxime acetates with aldehydes: a new strategy for synthesis of pyridines.","Organic letters","2011","13","19","5394","5397","10.1021/ol202290y","","","0.71073","MoKα","","0.1543","0.0553","","","0.1201","0.1658","","","","","","0.89","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502514","10.1786","0.0002","10.4497","0.0002","19.1308","0.0004","90","","90","","90","","2034.82","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Br N2 O2 -","- C22 H23 Br N2 O2 -","- C88 H92 Br4 N8 O8 -","4","1","","Lee, Yunmi; Klausen, Rebekka S.; Jacobsen, Eric N.","Thiourea-catalyzed enantioselective iso-Pictet-Spengler reactions.","Organic letters","2011","13","20","5564","5567","10.1021/ol202300t","","","0.71073","MoKα","","0.0245","0.0222","","","0.0569","0.0579","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502515","10.5196","0.0003","11.1008","0.0003","16.8401","0.0004","90","","90","","90","","1966.52","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O3 -","- C20 H28 N2 O3 -","- C80 H112 N8 O12 -","4","1","","Lee, Yunmi; Klausen, Rebekka S.; Jacobsen, Eric N.","Thiourea-catalyzed enantioselective iso-Pictet-Spengler reactions.","Organic letters","2011","13","20","5564","5567","10.1021/ol202300t","","","1.54178","CuKα","","0.093","0.0834","","","0.1637","0.1698","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502516","6.0456","0.0006","9.8728","0.001","23.236","0.002","90","","93.94","0.001","90","","1383.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H29 Br O5 -","- C31 H29 Br O5 -","- C62 H58 Br2 O10 -","2","1","","Ashtekar, Kumar Dilip; Staples, Richard J.; Borhan, Babak","Development of a formal catalytic asymmetric [4+2] addition of ethyl-2,3-butadienoate with acyclic enones.","Organic letters","2011","13","21","5732","5735","10.1021/ol202301f","","x-ray","0.71073","MoKα","","0.0876","0.0514","","","0.0962","0.1096","","","","","","1.034","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502517","6.004","0.004","11.472","0.007","14.442","0.009","106.29","0.009","96.565","0.009","97.311","0.009","935.2","1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H24 O5 -","- C21 H24 O5 -","- C42 H48 O10 -","2","1","","Barabé, Francis; Levesque, Patrick; Korobkov, Ilia; Barriault, Louis","Synthesis of fused carbocycles via a selective 6-endo dig gold(I)-catalyzed carbocyclization.","Organic letters","2011","13","20","5580","5583","10.1021/ol202314q","","","0.71073","MoKα","","0.0854","0.0773","","","0.2189","0.23","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502518","12.355","0.018","13.259","0.019","12.748","0.019","90","","110.52","0.03","90","","1956","5","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 O5 -","- C22 H26 O5 -","- C88 H104 O20 -","4","1","","Barabé, Francis; Levesque, Patrick; Korobkov, Ilia; Barriault, Louis","Synthesis of fused carbocycles via a selective 6-endo dig gold(I)-catalyzed carbocyclization.","Organic letters","2011","13","20","5580","5583","10.1021/ol202314q","","","0.71073","MoKα","","0.0993","0.053","","","0.1328","0.1692","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502519","12.5736","0.0007","15.875","0.0008","16.524","0.0008","90","","94.695","0.002","90","","3287.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H53 Au Cl P -","- C33 H53 Au Cl P -","- C132 H212 Au4 Cl4 P4 -","4","1","","Barabé, Francis; Levesque, Patrick; Korobkov, Ilia; Barriault, Louis","Synthesis of fused carbocycles via a selective 6-endo dig gold(I)-catalyzed carbocyclization.","Organic letters","2011","13","20","5580","5583","10.1021/ol202314q","","","0.71073","MoKα","","0.0345","0.0269","","","0.072","0.0785","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502520","8.0667","0.0002","8.2677","0.0002","14.2711","0.0003","90","","101.049","0.001","90","","934.14","0.04","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C36 H56 O16 -","4","2","","Magauer, Thomas; Myers, Andrew G.","Short and efficient synthetic route to methyl α-trioxacarcinoside B and anomerically activated derivatives.","Organic letters","2011","13","20","5584","5587","10.1021/ol202315m","","","1.54178","CuKα","","0.0251","0.0249","","","0.0638","0.064","","","","","","1.086","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502521","19.502","0.009","19.502","0.009","13.648","0.013","90","","90","","120","","4495","5","296","2","296","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C189 H216 N18 O36 -","9","1","","Guo, Shengmei; Xie, Yinjun; Hu, Xinquan; Huang, Hanmin","Highly diastereo- and enantioselective tandem reaction toward functionalized pyrrolidines with multiple stereocenters.","Organic letters","2011","13","20","5596","5599","10.1021/ol2023196","","","0.71073","MoKα","","0.1515","0.0634","","","0.1149","0.1407","","","","","","0.969","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502522","10.73","0.006","9.321","0.006","12.255","0.007","90","","100.86","0.005","90","","1203.7","1.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 Br N O4 -","- C26 H26 Br N O4 -","- C52 H52 Br2 N2 O8 -","2","1","","Guo, Shengmei; Xie, Yinjun; Hu, Xinquan; Huang, Hanmin","Highly diastereo- and enantioselective tandem reaction toward functionalized pyrrolidines with multiple stereocenters.","Organic letters","2011","13","20","5596","5599","10.1021/ol2023196","","","0.71073","MoKα","","0.1022","0.0506","","","0.1067","0.1273","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502523","11.447","0.003","6.649","0.002","14.217","0.004","90","","110.166","0.003","90","","1015.7","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H26 O2 -","- C25 H26 O2 -","- C50 H52 O4 -","2","1","","Guo, Shengmei; Xie, Yinjun; Hu, Xinquan; Huang, Hanmin","Highly diastereo- and enantioselective tandem reaction toward functionalized pyrrolidines with multiple stereocenters.","Organic letters","2011","13","20","5596","5599","10.1021/ol2023196","","","0.71073","MoKα","","0.0688","0.0443","","","0.0923","0.1059","","","","","","0.999","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502524","10.00787","0.00016","26.3372","0.0005","10.8051","0.0002","90","","99.8553","0.0016","90","","2805.97","0.09","173","","173","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","2","","Anderson, Katie; Calo, Frederick; Pfaffeneder, Toni; White, Andrew J. P.; Barrett, Anthony G. M.","Biomimetic total synthesis of angelicoin A and B via a palladium-catalyzed decarboxylative prenylation-aromatization sequence.","Organic letters","2011","13","21","5748","5750","10.1021/ol202320m","","","1.54184","CuKα","","0.0391","0.0356","","","0.0958","0.0993","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502525","7.72443","0.00017","8.2531","0.0003","19.2848","0.0007","90","","96.121","0.003","90","","1222.41","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C56 H56 O24 -","4","2","","Anderson, Katie; Calo, Frederick; Pfaffeneder, Toni; White, Andrew J. P.; Barrett, Anthony G. M.","Biomimetic total synthesis of angelicoin A and B via a palladium-catalyzed decarboxylative prenylation-aromatization sequence.","Organic letters","2011","13","21","5748","5750","10.1021/ol202320m","","","1.54184","CuKα","","0.1073","0.0531","","","0.0933","0.1089","","","","","","0.947","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502526","7.8787","0.0015","11.789","0.002","26.185","0.005","90","","90","","90","","2432.1","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Br N O5 -","- C25 H26 Br N O5 -","- C100 H104 Br4 N4 O20 -","4","1","","Teng, Huai-Long; Luo, Fei-Long; Tao, Hai-Yan; Wang, Chun-Jiang","A facile Cu(I)/BINAP-catalyzed asymmetric approach to functionalized pyroglutamate derivatives bearing a unique quaternary stereogenic center.","Organic letters","2011","13","20","5600","5603","10.1021/ol202326j","","","0.71073","MoKα","","0.1036","0.042","","","0.0908","0.1116","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502527","5.296","0.002","12.43","0.005","20.001","0.008","90","","90","","90","","1316.7","0.9","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-5-chloro-1-methyl-3-hydroxy-3-(1-methyl-1H-pyrrol-2-yl)-indolin-2-one","","","- C14 H13 Cl N2 O2 -","- C14 H13 Cl N2 O2 -","- C56 H52 Cl4 N8 O8 -","4","1","","Gutierrez, Elisa G.; Wong, Casey J.; Sahin, Aziza H.; Franz, Annaliese K.","Enantioselective and regioselective indium(III)-catalyzed addition of pyrroles to isatins.","Organic letters","2011","13","21","5754","5757","10.1021/ol202329s","","","0.71073","MoKα","","0.0698","0.0505","","","0.1171","0.1356","","","","","","1.196","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502528","9.6671","0.0002","10.0197","0.0002","16.6629","0.0004","90","","90","","90","","1613.99","0.06","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O5 -","- C19 H15 N O5 -","- C76 H60 N4 O20 -","4","1","","Hong, Bor-Cherng; Kotame, Prakash; Lee, Gene-Hsiang","Asymmetric synthesis of 3,4-dihydrocoumarin motif with an all-carbon quaternary stereocenter via a Michael-acetalization sequence with bifunctional amine-thiourea organocatalysts.","Organic letters","2011","13","21","5758","5761","10.1021/ol202331j","","","0.71073","MoKα","","0.0597","0.0356","","","0.0838","0.0919","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502529","12.3284","0.0009","5.9912","0.0004","12.3764","0.0009","90","","111.414","0.0014","90","","851.04","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H14 Br N O5 -","- C19 H14 Br N O5 -","- C38 H28 Br2 N2 O10 -","2","1","","Hong, Bor-Cherng; Kotame, Prakash; Lee, Gene-Hsiang","Asymmetric synthesis of 3,4-dihydrocoumarin motif with an all-carbon quaternary stereocenter via a Michael-acetalization sequence with bifunctional amine-thiourea organocatalysts.","Organic letters","2011","13","21","5758","5761","10.1021/ol202331j","","","0.71073","MoKα","","0.0416","0.0363","","","0.0749","0.0774","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502530","11.4074","0.001","25.629","0.003","16.6602","0.0013","90","","106.959","0.007","90","","4659","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 B F2 N3 O2 -","- C29 H22.5 B F2 N3 O2 -","- C232 H180 B8 F16 N24 O16 -","8","2","","Chen, Yuting; Wan, Liang; Yu, Xiang; Li, Wenjun; Bian, Yongzhong; Jiang, Jianzhuang","Rational Design and Synthesis for Versatile FRET Ratiometric Sensor for Hg2+ and Fe2+: A Flexible 8-Hydroxyquinoline Benzoate Linked Bodipy-Porphyrin Dyad","Organic letters","2011","13","21","5774","5777","10.1021/ol202338c","","","0.71073","MoKα","","0.2278","0.0897","","","0.0972","0.1225","","","","","","0.978","","","","has coordinates","210341","2020-10-21","18:00:00",""
"1502531","9.1654","0.0014","24.62","0.002","39.168","0.003","90","","93.635","0.006","90","","8820.6","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H86 Cl18 N8 O4 S -","- C84 H84 Cl12 N8 O4 S -","- C336 H336 Cl48 N32 O16 S4 -","4","1","","Roznyatovskiy, Vladimir V.; Lim, Jong Min; Lynch, Vincent M.; Lee, Byung Sun; Kim, Dongho; Sessler, Jonathan L.","π-Extension in expanded porphyrins: cyclo[4]naphthobipyrrole.","Organic letters","2011","13","20","5620","5623","10.1021/ol2023449","","","0.71075","MoKα","","0.1106","0.0916","","","0.2427","0.2522","","","","","","1.588","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502532","10.3739","0.001","15.4972","0.0014","11.9293","0.0011","90","","102.157","0.002","90","","1874.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C84 H104 N8 O8 -","4","1","","Yu, Fangmiao; Cheng, Bin; Zhai, Hongbin","Fast and protecting-group-free synthesis of (±)-subincanadine C.","Organic letters","2011","13","21","5782","5783","10.1021/ol202349g","","","0.71073","MoKα","","0.1418","0.0469","","","0.0768","0.0992","","","","","","0.846","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502533","8.631","0.0011","12.0157","0.0014","22.767","0.003","90","","90","","90","","2361.1","0.5","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 Br N2 -","- C29 H25 Br N2 -","- C116 H100 Br4 N8 -","4","1","","Cheng, Dao-Juan; Wu, Hai-Bian; Tian, Shi-Kai","Catalytic asymmetric Pictet-Spengler-type reaction for the synthesis of optically active indolo[3,4-cd][1]benzazepines.","Organic letters","2011","13","20","5636","5639","10.1021/ol202361t","","","0.71073","MoKα","","0.0578","0.0444","","","0.1074","0.1152","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502534","10.901","0.005","9.946","0.005","26.646","0.01","90","","100.45","0.01","90","","2841","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(1-ethoxy-2-(4-nitrophenylsulfonamido) -2-phenylethyl)-N-phenylbenzenesulfonamide","","- C28 H27 N3 O7 S2 -","- C28 H27 N3 O7 S2 -","- C112 H108 N12 O28 S8 -","4","1","","Nakanishi, Masafumi; Minard, Corinne; Retailleau, Pascal; Cariou, Kevin; Dodd, Robert H.","Copper(I) catalyzed regioselective asymmetric alkoxyamination of aryl enamide derivatives.","Organic letters","2011","13","21","5792","5795","10.1021/ol202367d","","","0.71069","MoKα","","0.0806","0.0484","","","0.1142","0.1293","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502535","17.577","0.005","7.597","0.005","13.745","0.005","90","0.005","90","0.005","90","0.005","1835.4","1.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H20 N2 O2 S -","- C21 H20 N2 O2 S -","- C84 H80 N8 O8 S4 -","4","1","","Ghorai, Manas K.; Sahoo, Ashis K.; Kumar, Sarvesh","Synthetic route to chiral tetrahydroquinoxalines via ring-opening of activated aziridines.","Organic letters","2011","13","22","5972","5975","10.1021/ol2023906","","","0.71073","MoKα","","0.0576","0.0491","","","0.112","0.1183","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502536","8.119","0.005","8.143","0.005","12.748","0.005","78.88","0.005","78.684","0.005","84.081","0.005","809","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N2 O2 S -","- C18 H19 N2 O2 S -","- C36 H38 N4 O4 S2 -","2","1","","Ghorai, Manas K.; Sahoo, Ashis K.; Kumar, Sarvesh","Synthetic route to chiral tetrahydroquinoxalines via ring-opening of activated aziridines.","Organic letters","2011","13","22","5972","5975","10.1021/ol2023906","","","0.71069","MoKα","","0.1537","0.092","","","0.212","0.2696","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502537","9.01","0.005","12.674","0.005","15.667","0.005","90","0.005","90","0.005","90","0.005","1789.1","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N2 O2 S -","- C20 H23 N2 O2 S -","- C80 H92 N8 O8 S4 -","4","1","","Ghorai, Manas K.; Sahoo, Ashis K.; Kumar, Sarvesh","Synthetic route to chiral tetrahydroquinoxalines via ring-opening of activated aziridines.","Organic letters","2011","13","22","5972","5975","10.1021/ol2023906","","","0.71069","MoKα","","0.1186","0.0871","","","0.2279","0.298","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502538","5.7256","0.0018","16.786","0.005","17.572","0.006","90","","90","","90","","1688.8","0.9","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br O -","- C21 H17 Br O -","- C84 H68 Br4 O4 -","4","1","","Turner, Heather M.; Patel, Jignesh; Niljianskul, Nootaree; Chong, J. Michael","Binaphthol-catalyzed asymmetric conjugate arylboration of enones.","Organic letters","2011","13","21","5796","5799","10.1021/ol202391r","","","0.71073","MoKα","","0.0428","0.0328","","","0.0758","0.0803","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502539","25.6392","0.0003","14.1998","0.0002","34.5075","0.0005","90","","98.0857","0.0007","90","","12438.3","0.3","200","","200","","","","","","","","local","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H36 N2 O7 S Si -","- C29 H36 N2 O7 S Si -","- C464 H576 N32 O112 S16 Si16 -","16","2","","Petit, Laurent; Banwell, Martin G.; Willis, Anthony C.","The total synthesis of the crinine alkaloid hamayne via a Pd[0]-catalyzed intramolecular alder-ene reaction.","Organic letters","2011","13","21","5800","5803","10.1021/ol2023938","","","0.71073","MoKα","","0.0966","0.0586","","0.1638","0.1305","0.1638","","","","","","0.9688","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502540","9.6554","0.0009","18.4922","0.0017","14.7179","0.0014","90","","103.367","0.002","90","","2556.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 F3 N O4 P S -","- C28 H25 F3 N O4 P S -","- C112 H100 F12 N4 O16 P4 S4 -","4","1","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Raja, Rosalia; Orenes, Raul-Angel","Insertion of benzynes into the P═N Bond of P-alkenyl(alkynyl)-λ5-phosphazenes.","Organic letters","2011","13","20","5668","5671","10.1021/ol202395s","","","0.71073","MoKα","","0.0479","0.0406","","","0.1005","0.105","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502541","13.3873","0.0013","12.8784","0.0012","15.8361","0.0015","90","","102.499","0.002","90","","2665.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 F3 N O4 P S -","- C29 H27 F3 N O4 P S -","- C116 H108 F12 N4 O16 P4 S4 -","4","1","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Raja, Rosalia; Orenes, Raul-Angel","Insertion of benzynes into the P═N Bond of P-alkenyl(alkynyl)-λ5-phosphazenes.","Organic letters","2011","13","20","5668","5671","10.1021/ol202395s","","","0.71073","MoKα","","0.0655","0.0627","","","0.1291","0.1305","","","","","","1.269","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502542","10.6951","0.0008","13.5333","0.0011","23.7192","0.0017","90","","96.348","0.002","90","","3412.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Cl3 F3 N2 O5 P S -","- C35 H27 Cl3 F3 N2 O5 P S -","- C140 H108 Cl12 F12 N8 O20 P4 S4 -","4","1","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Raja, Rosalia; Orenes, Raul-Angel","Insertion of benzynes into the P═N Bond of P-alkenyl(alkynyl)-λ5-phosphazenes.","Organic letters","2011","13","20","5668","5671","10.1021/ol202395s","","","0.71073","MoKα","","0.0471","0.0435","","","0.1205","0.1234","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502543","14.678","0.005","7.811","0.002","15.078","0.005","90","","96.149","0.006","90","","1718.7","0.9","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Br N4 O4 S -","- C13 H19 Br N4 O4 S -","- C52 H76 Br4 N16 O16 S4 -","4","1","","Zhou, Ling; Chen, Jie; Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide promoted one-pot synthesis of guanidine: scope and mechanism.","Organic letters","2011","13","21","5804","5807","10.1021/ol202402y","","","0.71073","MoKα","","0.1358","0.1169","","","0.2633","0.27","","","","","","1.24","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502544","7.6282","0.0006","22.4368","0.0019","10.6878","0.0009","90","","104.129","0.002","90","","1773.9","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 O4 S -","- C16 H22 N4 O4 S -","- C64 H88 N16 O16 S4 -","4","1","","Zhou, Ling; Chen, Jie; Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide promoted one-pot synthesis of guanidine: scope and mechanism.","Organic letters","2011","13","21","5804","5807","10.1021/ol202402y","","","0.71073","MoKα","","0.05","0.0472","","","0.1307","0.133","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502545","8.0247","0.0005","9.3837","0.0006","21.6308","0.0013","90","","90","","90","","1628.83","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N3 O2 S -","- C15 H23 N3 O2 S -","- C60 H92 N12 O8 S4 -","4","1","","Zhou, Ling; Chen, Jie; Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide promoted one-pot synthesis of guanidine: scope and mechanism.","Organic letters","2011","13","21","5804","5807","10.1021/ol202402y","","","0.71073","MoKα","","0.0352","0.0339","","","0.0879","0.0889","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502546","6.6805","0.0012","21.133","0.004","15.804","0.003","90","","92.518","0.004","90","","2229","0.7","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F2 N4 O4 S -","- C23 H20 F2 N4 O4 S -","- C92 H80 F8 N16 O16 S4 -","4","1","","Zhou, Ling; Chen, Jie; Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide promoted one-pot synthesis of guanidine: scope and mechanism.","Organic letters","2011","13","21","5804","5807","10.1021/ol202402y","","","0.71073","MoKα","","0.0573","0.0487","","","0.126","0.1317","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502547","7.9534","0.0005","9.0801","0.0006","12.9399","0.0008","101.558","0.001","105.069","0.001","95.001","0.001","874.43","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N4 O4 S -","- C18 H18 N4 O4 S -","- C36 H36 N8 O8 S2 -","2","1","","Zhou, Ling; Chen, Jie; Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide promoted one-pot synthesis of guanidine: scope and mechanism.","Organic letters","2011","13","21","5804","5807","10.1021/ol202402y","","","0.71073","MoKα","","0.04","0.0373","","","0.1","0.1018","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502548","14.087","0.003","24.772","0.005","26.889","0.005","98.87","0.03","96.79","0.03","92.84","0.03","9184","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H84 F30 N4 O20 P5 -","- C108 H84 F29.3333 N4 O20 P5 -","- C324 H252 F88 N12 O60 P15 -","3","1.5","","Guo, Jia-Bin; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Formation of 1:2 host-guest complexes based on triptycene-derived macrotricycle and paraquat derivatives: anion-π interactions between PF6(-) and bipyridinium rings in the solid state.","Organic letters","2011","13","20","5688","5691","10.1021/ol2024168","","","0.71073","MoKα","","0.2659","0.2277","","","0.5147","0.5319","","","","","","2.602","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1502549","13.254","0.003","14.157","0.003","17.402","0.004","75.74","0.03","89.09","0.03","68.84","0.03","2941.6","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H142 F24 N6 O24 P4 -","- C112 H142 F24 N6 O24 P4 -","- C112 H142 F24 N6 O24 P4 -","1","0.5","","Guo, Jia-Bin; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Formation of 1:2 host-guest complexes based on triptycene-derived macrotricycle and paraquat derivatives: anion-π interactions between PF6(-) and bipyridinium rings in the solid state.","Organic letters","2011","13","20","5688","5691","10.1021/ol2024168","","","0.71073","MoKα","","0.0946","0.0773","","","0.1974","0.2112","","","","","","1.045","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502550","10.3649","0.0016","13.029","0.002","8.3029","0.001","90","","109.022","0.005","90","","1060","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 F3 O3 -","- C11 H11 F3 O3 -","- C44 H44 F12 O12 -","4","1","","Morandi, Bill; Carreira, Erick M.","Expedient preparation of trifluoromethyl-substituted benzofuranols.","Organic letters","2011","13","22","5984","5985","10.1021/ol202423s","","","0.71073","MoKα","","0.0533","0.0376","","","0.113","0.1345","","","","","","0.949","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502551","17.41","0.0006","62.6791","0.0016","9.6861","0.0002","90","","90","","90","","10569.9","0.5","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H29 N O6 -","- C30 H29 N O6 -","- C480 H464 N16 O96 -","16","1","","Sathishkannan, Gopal; Srinivasan, Kannupal","Highly diastereoselective synthesis of 1-pyrrolines via SnCl4-promoted [3 + 2] cycloaddition between activated donor-acceptor cyclopropanes and nitriles.","Organic letters","2011","13","22","6002","6005","10.1021/ol2024423","","","0.71073","MoKα","","0.0333","0.0288","","","0.0673","0.0731","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502552","12.705","0.01","9.521","0.006","19.28","0.004","90","","94.137","0.004","90","","2326","2","213.1","","213.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 N2 O4 -","- C24 H34 N2 O4 -","- C96 H136 N8 O16 -","4","1","","Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison","One-pot synthesis of asymmetric annulated bis(pyrrole)s.","Organic letters","2011","13","21","5846","5849","10.1021/ol202457n","","","0.7107","MoKα","","","0.0596","","","","0.0674","","","","","","1.127","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502553","8.4312","0.0002","8.9716","0.0002","28.7625","0.001","90","","90","","90","","2175.63","0.1","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O4 S2 -","- C22 H24 O4 S2 -","- C88 H96 O16 S8 -","4","1","","Hong, Wan Pyo; Noshi, Mohammad N.; El-Awa, Ahmad; Fuchs, Philip L.","Synthesis of the C1-C20 and C15-C27 segments of aplyronine A.","Organic letters","2011","13","24","6342","6345","10.1021/ol2024746","","","0.71073","MO-Kα","","0.069","0.048","","","0.104","0.114","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502554","9.1517","0.0016","11.6955","0.0016","14.998","0.003","78.566","0.009","86.834","0.009","68.817","0.007","1466.9","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N4 O3 S -","- C36 H34 N4 O3 S -","- C72 H68 N8 O6 S2 -","2","1","","Feng, Pengju; Fan, Yukai; Xue, Fazhen; Liu, Weigang; Li, Songlei; Shi, Yian","An approach to the hexacyclic skeleton of trigonoliimines.","Organic letters","2011","13","21","5827","5829","10.1021/ol202475r","","","0.71073","MoKα","","0.0761","0.0665","","","0.1535","0.16","","","","","","1.095","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502555","11.46","0.002","13.277","0.002","12.839","0.002","90","","94.73","0.03","90","","1946.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cl2 N4 -","- C22 H20 Cl2 N4 -","- C88 H80 Cl8 N16 -","4","1","","Feng, Pengju; Fan, Yukai; Xue, Fazhen; Liu, Weigang; Li, Songlei; Shi, Yian","An approach to the hexacyclic skeleton of trigonoliimines.","Organic letters","2011","13","21","5827","5829","10.1021/ol202475r","","","0.71073","MoKα","","0.0711","0.0651","","","0.1598","0.1645","","","","","","1.088","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502556","9.2014","0.0006","10.1359","0.0007","10.2245","0.0007","64.747","0.001","83.99","0.001","68.197","0.001","799.12","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H28 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","0.71073","MoKα","","0.0381","0.0341","","","0.0894","0.094","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502557","12.5784","0.0013","13.3052","0.0014","10.4263","0.0011","90","","114.434","0.001","90","","1588.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","0.71073","MoKα","","0.0451","0.0374","","","0.0999","0.1042","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502558","6.434","0.0007","14.8481","0.0016","16.841","0.002","80.523","0.009","86.191","0.009","86.07","0.009","1580.7","0.3","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","2","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","1.54178","CuKα","","0.1159","0.0662","","","0.1539","0.1782","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502559","9.9476","0.001","12.6198","0.0012","14.2649","0.0014","90","","107.977","0.002","90","","1703.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","0.71073","MoKα","","0.0998","0.0513","","","0.0841","0.0984","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502560","5.9436","0.0002","8.0046","0.0003","18.5428","0.0007","101.216","0.001","93.223","0.001","100.92","0.001","845.7","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C38 H48 O12 -","2","1","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","0.71073","MoKα","","0.0416","0.0353","","","0.0924","0.0977","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502561","10.1514","0.0005","18.0417","0.0011","18.4086","0.001","90","","90","","90","","3371.5","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","1","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","1.54178","CuKα","","0.0397","0.0313","","","0.0783","0.0831","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502562","16.347","0.006","18.415","0.007","14.637","0.005","90","","105.02","0.005","90","","4256","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 O3 -","- C29 H18 O3 -","- C232 H144 O24 -","8","2","","Luo, Yong; Wu, Jie","A new insight into palladium-catalyzed reaction of 2-alkynylphenol with carbon monoxide.","Organic letters","2011","13","21","5858","5861","10.1021/ol202478u","","","0.71073","MoKα","","0.093","0.0449","","","0.0981","0.1152","","","","","","0.908","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502563","8.9778","0.0006","14.529","0.0011","12.2226","0.0009","90","","100.458","0.003","90","","1567.8","0.2","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H27 Cl4 N2 O4 P Pd -","- C29 H27 Cl4 N2 O4 P Pd -","- C58 H54 Cl8 N4 O8 P2 Pd2 -","2","1","","Huang, Yinhua; Chew, Renta Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Direct synthesis of chiral tertiary diphosphines via Pd(II)-catalyzed asymmetric hydrophosphination of dienones.","Organic letters","2011","13","21","5862","5865","10.1021/ol202480r","","","0.71073","MoKα","","0.03","0.0264","","","0.0625","0.0751","","","","","","1.101","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502564","39.8657","0.0012","39.8657","0.0012","38.2114","0.0013","90","","90","","90","","60728","3","103","2","103","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C108 H104 Cl2 N2 O2 P2 Pd2 -","- C84 H80 Cl2 N2 O2 P2 Pd2 -","- C2016 H1920 Cl48 N48 O48 P48 Pd48 -","24","1.5","","Huang, Yinhua; Chew, Renta Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Direct synthesis of chiral tertiary diphosphines via Pd(II)-catalyzed asymmetric hydrophosphination of dienones.","Organic letters","2011","13","21","5862","5865","10.1021/ol202480r","","","0.71073","MoKα","","0.0891","0.0665","","","0.1648","0.1752","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502565","8.185","0.002","9.222","0.002","10.247","0.002","69.237","0.008","80.106","0.008","84.347","0.009","711.9","0.3","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H30 Cl N O6 S -","- C30 H30 Cl N O6 S -","- C30 H30 Cl N O6 S -","1","1","","Zhou, Si-Li; Li, Jun-Long; Dong, Lin; Chen, Ying-Chun","Organocatalytic sequential hetero-Diels-Alder and Friedel-Crafts reaction: constructions of fused heterocycles with scaffold diversity.","Organic letters","2011","13","21","5874","5877","10.1021/ol202492x","","","0.71073","MoKα","","0.0464","0.04","","","0.0814","0.0837","","","","","","0.999","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502566","5.3199","0.0003","10.5254","0.0006","12.2657","0.0009","71.587","0.006","82.118","0.005","75.89","0.005","630.63","0.07","140","1","140","1","","","","","","","","3","P -1","-P 1","2","","","","- C32 H36 O4 -","- C32 H36 O4 -","- C32 H36 O4 -","1","0.5","","Cammidge, Andrew N.; Goddard, Victoria H. M.; Schubert, Christopher P. J.; Gopee, Hemant; Hughes, David L.; Gonzalez-Lucas, Daniel","Unexpected phenol production from arylboronic acids under palladium-free conditions; organocatalyzed air oxidation.","Organic letters","2011","13","22","6034","6037","10.1021/ol202500z","","","0.71073","Mo-Kα","","0.0704","0.0414","","","0.1063","0.1138","","","","","","0.964","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502567","12.6694","0.0003","17.4024","0.0003","19.0265","0.0004","90","","109.603","0.001","90","","3951.78","0.14","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","doMM","","","- C72 H20 O2 Si -","- C72 H20 O2 Si -","- C288 H80 O8 Si4 -","4","1","","Zhang, Ying; Matsuo, Yutaka; Nakamura, Eiichi","Regiocontrolled synthesis of 1,2-di(organo)fullerenes via copper-assisted 1,4-aryl migration from silicon to carbon.","Organic letters","2011","13","22","6058","6061","10.1021/ol202511u","","","1.54187","CuKα","","0.1325","0.1064","","","0.2837","0.3095","","","","","","1.688","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502568","6.2191","0.001","10.17","0.0016","15.271","0.002","106.094","0.002","96.229","0.003","99.146","0.003","904.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 N O S2 Si -","- C16 H23 N O S2 Si -","- C32 H46 N2 O2 S4 Si2 -","2","1","","Eberhart, Andrew J.; Imbriglio, Jason E.; Procter, David J.","Nucleophilic ortho allylation of aryl and heteroaryl sulfoxides.","Organic letters","2011","13","21","5882","5885","10.1021/ol2025197","","","0.71073","MoKα","","0.0817","0.073","","","0.1344","0.1372","","","","","","1.406","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502569","14.0044","0.0003","8.34399","0.00015","18.0791","0.0004","90","","102.479","0.0007","90","","2062.68","0.07","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18.667 N2 O7.333 -","- C12 H18.6667 N2 O7.33333 -","- C72 H112 N12 O44 -","6","3","","Mori, Kazuto; Kodama, Tetsuya; Obika, Satoshi","Design, Synthesis, and Properties of Boat-Shaped Glucopyranosyl Nucleic Acid","Organic Letters","2011","13","22","6050","6053","10.1021/ol2025229","","","1.54187","CuKα","","","0.0476","","","","0.0723","","","","","","1.004","","","","has coordinates","210342","2020-10-21","18:00:00",""
"1502570","8.8276","0.0018","11.186","0.002","12.244","0.002","90","","107.07","0.03","90","","1155.8","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H36 Br N O2 S -","- C22 H36 Br N O2 S -","- C44 H72 Br2 N2 O4 S2 -","2","1","","Huang, Deshun; Wang, Haining; Xue, Fazhen; Guan, Huan; Li, Lijun; Peng, Xianyou; Shi, Yian","Enantioselective bromocyclization of olefins catalyzed by chiral phosphoric acid.","Organic letters","2011","13","24","6350","6353","10.1021/ol202527g","","","0.71073","MoKα","","0.0387","0.0359","","","0.0769","0.0785","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502571","9.439","0.002","11.246","0.003","13.111","0.003","90","","109.97","0.03","90","","1308.1","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 Br N O2 S -","- C26 H42 Br N O2 S -","- C52 H84 Br2 N2 O4 S2 -","2","1","","Huang, Deshun; Wang, Haining; Xue, Fazhen; Guan, Huan; Li, Lijun; Peng, Xianyou; Shi, Yian","Enantioselective bromocyclization of olefins catalyzed by chiral phosphoric acid.","Organic letters","2011","13","24","6350","6353","10.1021/ol202527g","","","0.71073","MoKα","","0.0378","0.035","","","0.0725","0.0743","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502572","6.9024","0.0014","7.5807","0.0015","18.512","0.004","90","","91.49","0.03","90","","968.3","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H25 Br N2 O4 S -","- C17 H25 Br N2 O4 S -","- C34 H50 Br2 N4 O8 S2 -","2","1","","Huang, Deshun; Wang, Haining; Xue, Fazhen; Guan, Huan; Li, Lijun; Peng, Xianyou; Shi, Yian","Enantioselective bromocyclization of olefins catalyzed by chiral phosphoric acid.","Organic letters","2011","13","24","6350","6353","10.1021/ol202527g","","","0.71073","MoKα","","0.0423","0.0401","","","0.0851","0.087","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502573","14.467","0.006","17.927","0.007","11.676","0.004","90","","91.572","0.008","90","","3027","2","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29.25 H42 N4 O6.25 -","- C29.25 H42 N4 O6.25 -","- C117 H168 N16 O25 -","4","1","","Feldman, Ken S.; Ngernmeesri, Paiboon","Total synthesis of (±)-dragmacidin E.","Organic letters","2011","13","20","5704","5707","10.1021/ol202535f","","","0.71073","MoKα","","0.1313","0.0733","","","0.1772","0.207","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502574","15.2751","0.0004","11.0342","0.0006","14.3941","0.0009","90","","117.12","0.003","90","","2159.4","0.2","120","","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 S3 -","- C24 H30 S3 -","- C96 H120 S12 -","4","0.5","","Guo, Xin; Wang, Suhao; Enkelmann, Volker; Baumgarten, Martin; Müllen, Klaus","Making benzotrithiophene a stronger electron donor.","Organic letters","2011","13","22","6062","6065","10.1021/ol2025372","","","0.71073","MoKα","","0.0929","0.0771","","0.0887","0.0859","0.0859","","","","","","1.0233","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502575","15.639","0.0003","10.844","0.0003","19.8682","0.0005","90","","104.266","0.0015","90","","3265.54","0.14","120","","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 S3 -","- C36 H54 S3 -","- C144 H216 S12 -","4","0.5","","Guo, Xin; Wang, Suhao; Enkelmann, Volker; Baumgarten, Martin; Müllen, Klaus","Making benzotrithiophene a stronger electron donor.","Organic letters","2011","13","22","6062","6065","10.1021/ol2025372","","","0.71073","MoKα","","0.0597","0.047","","0.0514","0.0506","0.0506","","","","","","1.0934","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502576","12.722","0.003","4.8282","0.0011","19.81","0.005","90","","96.755","0.005","90","","1208.4","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Br N O2 -","- C12 H14 Br N O2 -","- C48 H56 Br4 N4 O8 -","4","2","","Chen, Guo-Ying; Zhong, Fangrui; Lu, Yixin","Highly enantioselective and regioselective substitution of Morita-Baylis-Hillman carbonates with nitroalkanes.","Organic letters","2011","13","22","6070","6073","10.1021/ol202555v","","","0.71073","MoKα","","0.0569","0.0443","","","0.1054","0.1118","","","","","","0.993","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502577","7.0739","0.0009","13.657","0.0016","14.9355","0.0018","90","","90","","90","","1442.9","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Mondal, Sujit; Yadav, Ram Naresh; Ghosh, Subrata","Influence of diene substituent position on the stereochemical outcome in IMDA reaction of decatrienones. An asymmetric synthesis of C10-epi-dihydro-epi-deoxy arteannuin B.","Organic letters","2011","13","22","6078","6081","10.1021/ol202562w","","","0.71073","MoKα","","0.0336","0.0316","","","0.0738","0.0754","","","","","","1.101","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502578","8.672","0.003","9.491","0.003","9.253","0.003","90","","112.782","0.006","90","","702.2","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Mondal, Sujit; Yadav, Ram Naresh; Ghosh, Subrata","Influence of diene substituent position on the stereochemical outcome in IMDA reaction of decatrienones. An asymmetric synthesis of C10-epi-dihydro-epi-deoxy arteannuin B.","Organic letters","2011","13","22","6078","6081","10.1021/ol202562w","","","0.71073","MoKα","","0.0352","0.0316","","","0.0779","0.0803","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502579","9.6714","0.0016","18.83","0.002","15.545","0.003","90","","107.467","0.004","90","","2700.4","0.7","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 B N2 O6 -","- C27 H33 B N2 O6 -","- C108 H132 B4 N8 O24 -","4","1","","Hernández-Toribio, Jorge; Hussain, Mahmud M.; Cheng, Kevin; Carroll, Patrick J.; Walsh, Patrick J.","Diastereoselective aziridination of 2-B(pin)-substituted allylic alcohols: an efficient approach to novel organoboron compounds.","Organic letters","2011","13","22","6094","6097","10.1021/ol202588g","","","0.71073","MoKα","","0.0675","0.0555","","","0.144","0.1552","","","","","","1.105","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502580","10.5944","0.0007","13.0865","0.0003","16.832","0.0007","67.483","0.009","78.456","0.011","69.451","0.009","2012.7","0.2","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C84 H112 N8 O16 -","4","2","","Hernández-Toribio, Jorge; Hussain, Mahmud M.; Cheng, Kevin; Carroll, Patrick J.; Walsh, Patrick J.","Diastereoselective aziridination of 2-B(pin)-substituted allylic alcohols: an efficient approach to novel organoboron compounds.","Organic letters","2011","13","22","6094","6097","10.1021/ol202588g","","","0.71073","MoKα","","0.0733","0.054","","","0.1295","0.1449","","","","","","1.105","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502581","19.0367","0.0006","4.9902","0.0002","19.2908","0.0007","90","","108.317","0.002","90","","1739.71","0.11","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Lee, Byeongno; Lee, Kyu Hyung; Cho, Jaeheung; Nam, Wonwoo; Hur, Nam Hwi","Synthesis of azines in solid state: reactivity of solid hydrazine with aldehydes and ketones.","Organic letters","2011","13","24","6386","6389","10.1021/ol202593g","","","0.71073","MoKα","","0.0484","0.0387","","","0.0971","0.1075","","","","","","0.835","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502582","12.6449","0.0006","17.7036","0.0009","23.2599","0.0012","90","","90","","90","","5207","0.5","111","2","111","2","","","","","","","","3","P 21 c a","P -2ac 2a","29","","","","- C26 H44 Si2 -","- C26 H44 Si2 -","- C208 H352 Si16 -","8","2","","Kinoshita, Hidenori; Ishikawa, Tomoyuki; Miura, Katsukiyo","Dialkylaluminum hydride-promoted cyclodimerization of silylated 1,3-enynes via skeletal rearrangement.","Organic letters","2011","13","23","6192","6195","10.1021/ol202601s","","","0.71073","MoKα","","0.0489","0.0411","","","0.1253","0.1379","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502583","10.2162","0.0004","11.3789","0.0004","12.256","0.0004","103.179","0.001","90.521","0.001","94.858","0.001","1381.65","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 N O7 S -","- C30 H31 N O7 S -","- C60 H62 N2 O14 S2 -","2","1","","Li, Lei; Zhang, Junliang","Lewis acid-catalyzed [3 + 2]cyclo-addition of alkynes with N-tosyl-aziridines via carbon-carbon bond cleavage: synthesis of highly substituted 3-pyrrolines.","Organic letters","2011","13","22","5940","5943","10.1021/ol202603e","","","0.71073","MoKα","","0.0487","0.0447","","","0.1225","0.1275","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502584","8.1512","0.0004","17.576","0.001","17.2991","0.001","90","","102.651","0.001","90","","2418.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Organic","Organic","","- C24 H30 Br N O4 Si -","- C24 H30 Br N O4 Si -","- C96 H120 Br4 N4 O16 Si4 -","4","1","","Xu, Xinfang; Ratnikov, Maxim O.; Zavalij, Peter Y.; Doyle, Michael P.","Multifunctionalized 3-hydroxypyrroles in a three-step, one-pot cascade process from methyl 3-TBSO-2-diazo-3-butenoate and nitrones.","Organic letters","2011","13","22","6122","6125","10.1021/ol2026125","","","0.71073","MoKα","","0.0327","0.0262","","","0.0526","0.0541","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502585","5.9348","0.0004","8.4805","0.0005","15.4624","0.0009","90.9745","0.0009","97.1725","0.0009","90.8725","0.0009","771.9","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","organic","organic","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C36 H28 Cl2 N2 O6 -","2","1","","Xu, Xinfang; Ratnikov, Maxim O.; Zavalij, Peter Y.; Doyle, Michael P.","Multifunctionalized 3-hydroxypyrroles in a three-step, one-pot cascade process from methyl 3-TBSO-2-diazo-3-butenoate and nitrones.","Organic letters","2011","13","22","6122","6125","10.1021/ol2026125","","","0.71073","MoKα","","0.0381","0.036","","","0.0717","0.0726","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502586","8.797","0.004","9.896","0.005","22.154","0.011","95.763","0.01","92.756","0.01","98.775","0.013","1892.5","1.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","2","","Hu, Bao; Wang, Zhao; Ai, Ning; Zheng, Jie; Liu, Xing-Hai; Shan, Shang; Wang, Zhongwen","Catalyst-free preparation of 1,2,4,5-tetrasubstituted imidazoles from a novel unexpected domino reaction of 2-azido acrylates and nitrones.","Organic letters","2011","13","24","6362","6365","10.1021/ol202650z","","","0.71073","MoKα","","0.0975","0.042","","","0.0759","0.1015","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502587","10.6512","0.0004","16.4297","0.0006","17.8203","0.0007","76.573","0.003","79.336","0.003","85.849","0.003","2979.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H64 F12 N4 O12 P2 -","- C61 H64 F12 N4 O12 P2 -","- C122 H128 F24 N8 O24 P4 -","2","1","","Yan, Xuzhou; Wei, Peifa; Zhang, Mingming; Chi, Xiaodong; Liu, Jiyong; Huang, Feihe","[2]Pseudorotaxanes based on the recognition of cryptands to vinylogous viologens.","Organic letters","2011","13","24","6370","6373","10.1021/ol202657s","","","1.54184","CuKα","","0.0732","0.0481","","","0.1076","0.123","","","","","","1.014","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502588","10.17908","0.00016","15.1636","0.0002","38.4029","0.0007","90","","89.9136","0.0015","90","","5927.54","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H67 F12 N3 O15 P2 -","- C54 H67 F12 N3 O15 P2 -","- C216 H268 F48 N12 O60 P8 -","4","1","","Yan, Xuzhou; Wei, Peifa; Zhang, Mingming; Chi, Xiaodong; Liu, Jiyong; Huang, Feihe","[2]Pseudorotaxanes based on the recognition of cryptands to vinylogous viologens.","Organic letters","2011","13","24","6370","6373","10.1021/ol202657s","","","1.54184","CuKα","","0.0951","0.0822","","","0.2282","0.2424","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502589","38.108","0.004","3.8376","0.0005","21.281","0.002","90","","108.88","0.008","90","","2944.8","0.6","100.15","","100.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 S2 -","- C22 H12 S2 -","- C176 H96 S16 -","8","1","","Black, Hayden T.; Liu, Shubin; Ashby, Valerie Sheares","Synthesis, crystal structures, and electronic properties of nonlinear fused thienoacene semiconductors.","Organic letters","2011","13","24","6492","6495","10.1021/ol202662s","","","1.54184","CuKα","","0.1073","0.0635","","","0.1331","0.1527","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502590","20.3514","0.0003","3.7882","0.0001","21.2429","0.0004","90","","118.588","0.001","90","","1438.06","0.05","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 N2 S2 -","- C20 H10 N2 S2 -","- C80 H40 N8 S8 -","4","1","","Black, Hayden T.; Liu, Shubin; Ashby, Valerie Sheares","Synthesis, crystal structures, and electronic properties of nonlinear fused thienoacene semiconductors.","Organic letters","2011","13","24","6492","6495","10.1021/ol202662s","","","1.54178","CuKα","","0.0348","0.0328","","","0.0855","0.0872","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502591","6.3501","0.0004","14.4176","0.0008","16.3945","0.001","90","","90","","90","","1500.97","0.16","223.1","","223","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Calter, Michael A.; Korotkov, Alexander","Catalytic, asymmetric, interrupted Feist-Bénary reactions of α-tosyloxyacetophenones.","Organic letters","2011","13","23","6328","6330","10.1021/ol2026697","","","0.71075","MoKα","","","0.0462","","","","0.1081","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502592","6.8234","0.0001","22.6101","0.0005","9.6941","0.0002","90","","107.665","0.001","90","","1425.06","0.05","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H18 I N O2 -","- C13 H18 I N O2 -","- C52 H72 I4 N4 O8 -","4","1","","Tasker, Sarah Z.; Brandsen, Benjamin M.; Ryu, Keun Ah; Snapper, Gregory S.; Staples, Richard J.; DeKock, Roger L.; Anderson, Carolyn E.","Synthesis of a new class of β-iodo N-alkenyl 2-pyridones.","Organic letters","2011","13","23","6224","6227","10.1021/ol202679t","","x-ray","0.71073","MoKα","","0.0261","0.0208","","","0.041","0.0423","","","","","","1.023","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502593","8.327","0.002","11.225","0.003","16.443","0.005","108.255","0.005","96.36","0.005","91.162","0.003","1448.1","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H12 N2 O3 S -","- C16 H12 N2 O3 S -","- C64 H48 N8 O12 S4 -","4","4","","Wang, Xiao-Na; Shen, Li-Tao; Ye, Song","NHC-catalyzed enantioselective [2 + 2] and [2 + 2 + 2] cycloadditions of ketenes with isothiocyanates.","Organic letters","2011","13","24","6382","6385","10.1021/ol202688h","","","0.71073","MoKα","","0.0629","0.0574","","","0.1133","0.1176","","","","","","1.107","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502594","7.6443","0.0015","9.925","0.002","31.114","0.006","90","","90","","90","","2360.6","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 N2 O4 S -","- C27 H24 N2 O4 S -","- C108 H96 N8 O16 S4 -","4","1","","Wang, Xiao-Na; Shen, Li-Tao; Ye, Song","NHC-catalyzed enantioselective [2 + 2] and [2 + 2 + 2] cycloadditions of ketenes with isothiocyanates.","Organic letters","2011","13","24","6382","6385","10.1021/ol202688h","","","0.71073","MoKα","","0.0508","0.0466","","","0.0883","0.0906","","","","","","1.092","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502595","7.889","0.0016","17.297","0.004","22.433","0.005","90","","90","","90","","3061.1","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C152 H168 N8 O16 -","8","1","","Chun, Yu Sung; Lee, Jun Hee; Kim, Ju Hyun; Ko, Young Ok; Lee, Sang-gi","Tandem one-pot synthesis of polysubstituted pyridines using the Blaise reaction intermediate and 1,3-enynes.","Organic letters","2011","13","24","6390","6393","10.1021/ol202691b","","","0.71073","MoKα","","0.0498","0.0393","","","0.1068","0.1103","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502596","11.166","0.004","12.401","0.002","12.834","0.003","90","","92.813","0.014","90","","1775","0.8","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 F3 N O3 S -","- C16 H22 F3 N O3 S -","- C64 H88 F12 N4 O12 S4 -","4","1","","Maeda, Ryoko; Ishibashi, Rie; Kamaishi, Ryo; Hirotaki, Kensuke; Furuno, Hiroshi; Hanamoto, Takeshi","AgSbF6-promoted cycloaddition reaction of 2-trifluoromethyl-N-tosylaziridine with aldehydes.","Organic letters","2011","13","23","6240","6243","10.1021/ol202697y","","","0.71073","MoKα","","0.04","0.0384","","","0.1034","0.1046","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502597","8.03","0.004","9.784","0.005","27.646","0.013","90","","90","","90","","2172","1.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 N O3 -","- C28 H23 N O3 -","- C112 H92 N4 O12 -","4","1","","Zheng, Danqing; Li, Shaoyu; Luo, Yong; Wu, Jie","An efficient route to tetrahydroindeno[2,1-b]pyrroles via a base-promoted reaction of (E)-2-alkynylphenylchalcone with 2-isocyanoacetate.","Organic letters","2011","13","24","6402","6405","10.1021/ol202708f","","","0.71073","MoKα","","0.0969","0.0547","","","0.1099","0.1228","","","","","","0.918","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502598","8.3457","0.0013","18.861","0.003","11.0182","0.0017","90","","96.511","0.007","90","","1723.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N2 O3 -","- C18 H26 N2 O3 -","- C72 H104 N8 O12 -","4","1","","Pelletier, Sophie M.-C.; Ray, Peter C.; Dixon, Darren J.","Diastereoselective synthesis of 1,3,5-trisubstituted 4-nitropyrrolidin-2-ones via a nitro-Mannich/lactamization cascade.","Organic letters","2011","13","24","6406","6409","10.1021/ol202710g","","","0.71073","MoKα","","0.0424","0.0366","","","0.1029","0.1085","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502599","9.1434","0.0015","13.852","0.002","16.964","0.003","94.441","0.009","102.125","0.008","105.899","0.008","1999.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C84 H92 N12 O20 -","4","2","","Pelletier, Sophie M.-C.; Ray, Peter C.; Dixon, Darren J.","Diastereoselective synthesis of 1,3,5-trisubstituted 4-nitropyrrolidin-2-ones via a nitro-Mannich/lactamization cascade.","Organic letters","2011","13","24","6406","6409","10.1021/ol202710g","","","0.71073","MoKα","","0.067","0.0498","","","0.1208","0.1307","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502600","12.696","0.0004","8.2166","0.0002","18.0143","0.0006","90","","96.7494","0.0013","90","","1866.19","0.1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C84 H96 N8 O12 -","4","1","","Pelletier, Sophie M.-C.; Ray, Peter C.; Dixon, Darren J.","Diastereoselective synthesis of 1,3,5-trisubstituted 4-nitropyrrolidin-2-ones via a nitro-Mannich/lactamization cascade.","Organic letters","2011","13","24","6406","6409","10.1021/ol202710g","","","0.71073","MoKα","","0.0758","0.0482","","0.1345","0.1081","0.1345","","","","","","0.9378","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502601","11.575","0.0004","8.1302","0.0003","16.0924","0.0005","90","","107.288","0.002","90","","1445.99","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H44 O6 Si -","- C29 H44 O6 Si -","- C58 H88 O12 Si2 -","2","1","","Milgram, Benjamin C.; Liau, Brian B.; Shair, Matthew D.","Gram-scale synthesis of the A'B'-subunit of angelmicin B.","Organic letters","2011","13","24","6436","6439","10.1021/ol202728v","","","0.71073","MoKα","","0.0449","0.0395","","","0.0906","0.0939","","","","","","1.048","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502602","24.901","0.017","7.639","0.005","11.23","0.008","90","","100.741","0.009","90","","2099","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O5 S -","- C22 H25 N O5 S -","- C88 H100 N4 O20 S4 -","4","1","","Zheng, Huaiji; Huo, Xing; Zhao, Changgui; Jing, Peng; Yang, Juan; Fang, Bowen; She, Xuegong","Au-catalyzed piperidine synthesis via tandem acyloxy migration/intramolecular [3 + 2] cycloaddition of enynyl esters.","Organic letters","2011","13","24","6448","6451","10.1021/ol202746s","","","0.71073","MoKα","","0.1358","0.0762","","","0.1451","0.172","","","","","","1.101","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502603","14.21","0.02","10.072","0.015","19.29","0.03","90","","90.054","0.015","90","","2761","7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 N O5 S -","- C30 H33 N O5 S -","- C120 H132 N4 O20 S4 -","4","1","","Zheng, Huaiji; Huo, Xing; Zhao, Changgui; Jing, Peng; Yang, Juan; Fang, Bowen; She, Xuegong","Au-catalyzed piperidine synthesis via tandem acyloxy migration/intramolecular [3 + 2] cycloaddition of enynyl esters.","Organic letters","2011","13","24","6448","6451","10.1021/ol202746s","","","0.71073","MoKα","","0.1605","0.0702","","","0.1364","0.1758","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502604","15.819","0.017","11.095","0.012","11.877","0.013","90","","90","","90","","2085","4","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Zheng, Huaiji; Huo, Xing; Zhao, Changgui; Jing, Peng; Yang, Juan; Fang, Bowen; She, Xuegong","Au-catalyzed piperidine synthesis via tandem acyloxy migration/intramolecular [3 + 2] cycloaddition of enynyl esters.","Organic letters","2011","13","24","6448","6451","10.1021/ol202746s","","","0.71073","MoKα","","0.1407","0.0782","","","0.1953","0.2676","","","","","","0.909","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502605","16.582","0.002","9.8096","0.0014","14.674","0.002","90","","107.269","0.004","90","","2279.3","0.5","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O7 -","- C23 H26 N2 O7 -","- C92 H104 N8 O28 -","4","1","","McGarraugh, Patrick G.; Brenner-Moyer, Stacey E","An organocascade kinetic resolution.","Organic letters","2011","13","24","6460","6463","10.1021/ol2027587","","","0.71075","MoKα","","","0.0736","","","","0.1664","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502606","7.141","0.004","7.661","0.004","22.911","0.011","99.035","0.012","92.721","0.015","94.612","0.013","1231.5","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","H_BF2","","","- C13 H11 B F2 N2 O -","- C13 H11 B F2 N2 O -","- C52 H44 B4 F8 N8 O4 -","4","2","","Kubota, Yasuhiro; Hara, Hiroshi; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of novel pyrazine-boron complexes bearing a β-iminoketone ligand.","Organic letters","2011","13","24","6544","6547","10.1021/ol202819w","","","0.71075","MoKα","","0.082","0.0543","","","0.1531","0.174","","","","","","0.95","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502607","8.812","0.004","11.747","0.006","19.548","0.01","90","","90.68","0.007","90","","2023.4","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ph_BPh2","phenyl BPh2","","- C25 H21 B N2 O -","- C25 H21 B N2 O -","- C100 H84 B4 N8 O4 -","4","1","","Kubota, Yasuhiro; Hara, Hiroshi; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of novel pyrazine-boron complexes bearing a β-iminoketone ligand.","Organic letters","2011","13","24","6544","6547","10.1021/ol202819w","","","0.71075","MoKα","","0.0649","0.0519","","","0.1465","0.1591","","","","","","1.105","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502608","12.294","0.003","8.786","0.002","21.378","0.006","90","","98.416","0.003","90","","2284.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NMe2_BPh2","dimethylaminophenyl BPh2","","- C27 H26 B N3 O -","- C27 H26 B N3 O -","- C108 H104 B4 N12 O4 -","4","1","","Kubota, Yasuhiro; Hara, Hiroshi; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of novel pyrazine-boron complexes bearing a β-iminoketone ligand.","Organic letters","2011","13","24","6544","6547","10.1021/ol202819w","","","0.71075","MoKα","","0.0691","0.0565","","","0.1533","0.1651","","","","","","1.09","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502609","7.632","0.003","11.523","0.005","16.749","0.008","90","","98.856","0.006","90","","1455.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","NMe2_BF2","","","- C15 H16 B F2 N3 O -","- C15 H16 B F2 N3 O -","- C60 H64 B4 F8 N12 O4 -","4","1","","Kubota, Yasuhiro; Hara, Hiroshi; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of novel pyrazine-boron complexes bearing a β-iminoketone ligand.","Organic letters","2011","13","24","6544","6547","10.1021/ol202819w","","","0.71075","MoKα","","0.1839","0.1153","","","0.2703","0.2966","","","","","","1.44","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502610","13.4488","0.0009","12.1633","0.0008","18.4592","0.0013","90","","108.832","0.002","90","","2857.9","0.3","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 O5 Si2 -","- C28 H38 O5 Si2 -","- C112 H152 O20 Si8 -","4","2","","Adachi, Masaatsu; Yamada, Hitomi; Isobe, Minoru; Nishikawa, Toshio","Total synthesis of polygalolide A.","Organic letters","2011","13","24","6532","6535","10.1021/ol2028256","","","0.71073","MoKα","","0.0904","0.0529","","","0.1072","0.1254","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502611","8.107","0.002","8.585","0.002","9.637","0.002","112.308","0.004","107.086","0.004","97.024","0.005","572","0.2","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","","Grillet, Francois; Huang, Chaofeng; Brummond, Kay M.","An allenic Pauson-Khand approach to 6,12-guaianolides.","Organic letters","2011","13","23","6304","6307","10.1021/ol2028515","","","0.71073","MoKα","","0.0774","0.067","","","0.2023","0.2095","","","","","","1.85","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502612","8.2973","0.0003","29.0172","0.001","9.8779","0.0003","90","","108.728","0.002","90","","2252.33","0.13","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cl4 N3 Pd -","- C22 H17 Cl4 N3 Pd -","- C88 H68 Cl16 N12 Pd4 -","4","1","","Zhu, Ming-Kui; Zhao, Jun-Feng; Loh, Teck-Peng","Palladium-catalyzed C-C bond formation of arylhydrazines with olefins via carbon-nitrogen bond cleavage.","Organic letters","2011","13","23","6308","6311","10.1021/ol202862t","","","0.71073","MoKα","","0.0438","0.0355","","","0.0717","0.0755","","","","","","1.141","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502613","7.8221","0.0005","14.5983","0.0008","27.4837","0.0016","90","","90","","90","","3138.3","0.3","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C144 H160 N16 O16 -","8","1","","Yagishita, Fumitoshi; Sakamoto, Masami; Mino, Takashi; Fujita, Tsutomu","Asymmetric intramolecular cyclobutane formation via photochemical reaction of N,N-diallyl-2-quinolone-3-carboxamide using a chiral crystalline environment.","Organic letters","2011","13","23","6168","6171","10.1021/ol2028652","","","0.71073","MoKα","","0.057","0.0372","","","0.0912","0.1007","","","","","","0.984","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502614","16.127","0.002","9.1351","0.0014","12.0699","0.0017","90","","102.693","0.002","90","","1734.7","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","","Yagishita, Fumitoshi; Sakamoto, Masami; Mino, Takashi; Fujita, Tsutomu","Asymmetric intramolecular cyclobutane formation via photochemical reaction of N,N-diallyl-2-quinolone-3-carboxamide using a chiral crystalline environment.","Organic letters","2011","13","23","6168","6171","10.1021/ol2028652","","","0.71073","MoKα","","0.1124","0.0491","","","0.1166","0.1517","","","","","","0.927","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502615","8.8113","0.0015","7.6399","0.0013","13.258","0.002","90","","93.732","0.002","90","","890.6","0.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C40 H48 N4 O4 -","2","1","","Yagishita, Fumitoshi; Sakamoto, Masami; Mino, Takashi; Fujita, Tsutomu","Asymmetric intramolecular cyclobutane formation via photochemical reaction of N,N-diallyl-2-quinolone-3-carboxamide using a chiral crystalline environment.","Organic letters","2011","13","23","6168","6171","10.1021/ol2028652","","","0.71073","MoKα","","0.035","0.0332","","","0.0884","0.0903","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502616","15.726","0.005","9.432","0.003","12.59","0.004","90","","103.66","0.004","90","","1814.6","1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3c","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C80 H104 N8 O8 -","4","1","","Yagishita, Fumitoshi; Sakamoto, Masami; Mino, Takashi; Fujita, Tsutomu","Asymmetric intramolecular cyclobutane formation via photochemical reaction of N,N-diallyl-2-quinolone-3-carboxamide using a chiral crystalline environment.","Organic letters","2011","13","23","6168","6171","10.1021/ol2028652","","","0.71073","MoKα","","0.0564","0.0392","","","0.1062","0.1236","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502617","15.473","0.002","18.679","0.003","18.972","0.003","90","","95.737","0.003","90","","5455.8","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 Cl N7 O -","- C31 H28 Cl N7 O -","- C248 H224 Cl8 N56 O8 -","8","2","","Wang, Zu-Li; Zhao, Liang; Wang, Mei-Xiang","Regiospecific functionalization of azacalixaromatics through copper-mediated aryl C-H activation and C-O bond formation.","Organic letters","2011","13","24","6560","6563","10.1021/ol202874n","","","0.71073","MoKα","","0.1323","0.1111","","","0.2639","0.2763","","","","","","1.125","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502618","9.6319","0.0002","10.4594","0.0003","16.7964","0.0005","90","","90","","90","","1692.13","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C68 H92 N4 O12 S4 -","4","1","","Fustero, Santos; Rodríguez, Elsa; Herrera, Lidia; Asensio, Amparo; Maestro, Miguel A.; Barrio, Pablo","Intramolecular Michael reaction of tert-butylsulfinyl ketimines: asymmetric synthesis of 3-substituted indanones.","Organic letters","2011","13","24","6564","6567","10.1021/ol2028948","","","0.71073","MoKα","","0.0378","0.0324","","","0.0982","0.1138","","","","","","0.683","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502619","9.4722","0.0002","10.0791","0.0002","16.3227","0.0005","90","","92.756","0.002","90","","1556.55","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H22 N O3 P -","- C15 H22 N O3 P -","- C60 H88 N4 O12 P4 -","4","2","","Adams, Harry; Collins, Rebecca C.; Jones, Simon; Warner, Christopher J. A.","Enantioselective preparation of P-chiral phosphine oxides.","Organic letters","2011","13","24","6576","6579","10.1021/ol202916j","","","0.71073","MoKα","","0.0415","0.0351","","","0.0848","0.097","","","","","","1.101","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502620","6.3728","0.0001","12.4132","0.0001","15.5812","0.0002","90","","90","","90","","1232.58","0.03","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","RajanBabu 1717","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Lim, Hwan Jung; RajanBabu, T. V.","Ethylene in organic synthesis: a new route to anticholenergic pyrrolidinoindolines, and other molecules with all carbon-quaternary centers via asymmetric hydrovinylation.","Organic letters","2011","13","24","6596","6599","10.1021/ol203052y","","x-ray","0.71073","MoKα","","0.0442","0.0328","","","0.0724","0.0798","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502621","8.5745","0.0002","14.1089","0.0003","8.8408","0.0002","90","","94.154","0.001","90","","1066.72","0.04","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","RajanBabu 1724","","","- C13 H15 N O -","- C13 H15 N O -","- C52 H60 N4 O4 -","4","1","","Lim, Hwan Jung; RajanBabu, T. V.","Ethylene in organic synthesis: a new route to anticholenergic pyrrolidinoindolines, and other molecules with all carbon-quaternary centers via asymmetric hydrovinylation.","Organic letters","2011","13","24","6596","6599","10.1021/ol203052y","","x-ray","0.71073","MoKα","","0.0461","0.0346","","","0.0814","0.0864","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502622","6.9608","0.0002","15.583","0.0007","31.3056","0.0013","90","","90","","90","","3395.7","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl N O2.5 -","- C18 H25 Cl N O2.5 -","- C144 H200 Cl8 N8 O20 -","8","2","","Shevchenko, Anna; Belle, David Din; Tiittanen, Saara; Karjalainen, Arto; Tolvanen, Arto; Tanninen, Veli Pekka; Haarala, Jorma; Mäkelä, Mikko; Yliruusi, Jouko; Miroshnyk, Inna","Coupling Polymorphism/Solvatomorphism and Physical Stability Evaluation with Early Salt Synthesis Optimization of an Investigational Drug","Organic Process Research & Development","2011","15","3","666","","10.1021/op200026f","","","0.71073","MoKα","","0.1111","0.0685","","","0.1217","0.1352","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502623","24.264","0.008","24.798","0.01","26.166","0.008","90","","104.12","0.02","90","","15268","9","100.2","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C74 H84 Cl2 N6 P2 Ru -","- C74 Cl2 N6 P2 Ru -","- C592 Cl16 N48 P16 Ru8 -","8","2","","Goto, Mitsutaka; Konishi, Takahiro; Kawaguchi, Shinji; Yamada, Masatoshi; Nagata, Toshiaki; Yamano, Mitsuhisa","Process Research on the Asymmetric Hydrogenation of a Benzophenone for Developing the Manufacturing Process of the Squalene Synthase Inhibitor TAK-475","Organic Process Research & Development","2011","15","5","1178","","10.1021/op2001673","","","1.5419","CuKα","","0.1948","0.1857","","","","0.46","","","","","","1.72","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502624","20.6899","0.0018","23.815","0.002","16.4542","0.0015","90","","90","","90","","8107.5","1.2","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C48 H49 Fe Lu N2 O -","- C48.5 H49 Fe Lu N2 O -","- C388 H392 Fe8 Lu8 N16 O8 -","8","1","","Diaconescu, Paula L.","Reactions of aromatic N-heterocycles with d0fn-metal alkyl complexes supported by chelating diamide ligands.","Accounts of chemical research","2010","43","10","1352","1363","10.1021/ar1000605","","","0.71073","MoKα","","0.0766","0.0574","","","0.1216","0.1267","","","","","","1.279","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502625","8.00672","0.00011","15.303","0.0003","23.6473","0.0004","90","","90","","90","","2897.43","0.08","183","2","183","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23.6 H23 Br0.2 F2.4 N7 O8.6 Re -","- C23.6 H23 Br0.2 F2.4 N7 O8.6 Re -","- C94.4 H92 Br0.8 F9.6 N28 O34.4 Re4 -","4","1","","Struthers, Harriet; Viertl, David; Kosinski, Marek; Spingler, Bernhard; Buchegger, Franz; Schibli, Roger","Charge dependent substrate activity of C3' and N3 functionalized, organometallic technetium and rhenium-labeled thymidine derivatives toward human thymidine kinase 1.","Bioconjugate chemistry","2010","21","4","622","634","10.1021/bc900380n","","","0.7107","MoKα","","0.0522","0.036","","","0.0504","0.0523","","","","","","0.877","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502626","7.9826","0.0001","15.1896","0.0002","14.0058","0.0002","90","","106.311","0.001","90","","1629.89","0.04","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Br N O3 S -","- C17 H16 Br N O3 S -","- C68 H64 Br4 N4 O12 S4 -","4","1","","Yao, Chang-Sheng; Wang, Cui-Hua; Jiang, Bei; Tu, Shu-Jiang","One-pot combinatorial synthesis of 4-aryl-1H-thiopyrano[3,4-b]pyridine-5-one derivatives.","Journal of combinatorial chemistry","2010","12","4","472","475","10.1021/cc100017f","","","0.71073","MoKα","","0.0993","0.0636","","","0.1536","0.1723","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502627","14.7445","0.0002","11.168","0.0002","15.5403","0.0003","90","","111.725","0.001","90","","2377.21","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Cl N O2 S -","- C27 H26 Cl N O2 S -","- C108 H104 Cl4 N4 O8 S4 -","4","1","","Yao, Chang-Sheng; Wang, Cui-Hua; Jiang, Bei; Tu, Shu-Jiang","One-pot combinatorial synthesis of 4-aryl-1H-thiopyrano[3,4-b]pyridine-5-one derivatives.","Journal of combinatorial chemistry","2010","12","4","472","475","10.1021/cc100017f","","","0.71073","MoKα","","0.0676","0.045","","","0.1115","0.125","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502628","22.27","0.002","11.0361","0.0006","19.418","0.001","90","","97.983","0.002","90","","4726.2","0.6","299.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 Cl2 N3 O S -","- C24 H27 Cl2 N3 O S -","- C192 H216 Cl16 N24 O8 S8 -","8","1","","Han, Minsoo; Nam, Kee Dal; Shin, Dongyun; Jeong, Nakcheol; Hahn, Hoh-Gyu","Exploration of novel 2-alkylimino-1,3-thiazolines: T-type calcium channel inhibitory activity.","Journal of combinatorial chemistry","2010","12","4","518","530","10.1021/cc100041m","","","0.7107","MoKα","","","0.041","","","","0.119","","","","","","1.101","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502629","38.497","0.008","12.466","0.003","11.636","0.003","90","","99.309","0.005","90","","5511","2","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Cl N3 O2 S -","- C30 H34 Cl N3 O2 S -","- C240 H272 Cl8 N24 O16 S8 -","8","1","","Han, Minsoo; Nam, Kee Dal; Shin, Dongyun; Jeong, Nakcheol; Hahn, Hoh-Gyu","Exploration of novel 2-alkylimino-1,3-thiazolines: T-type calcium channel inhibitory activity.","Journal of combinatorial chemistry","2010","12","4","518","530","10.1021/cc100041m","","","0.7107","MoKα","","","0.163","","","","0.438","","","","","","1.158","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502630","9.6423","0.0011","20.332","0.002","7.4807","0.0009","90","","97.331","0.002","90","","1454.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F O3 -","- C17 H17 F O3 -","- C68 H68 F4 O12 -","4","1","","Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Bharanishashank, Adluri; Narayana, Vidadala V.","Sequential one-pot combination of multireactions through multicatalysis: a general approach to rapid assembly of functionalized push-pull olefins, phenols, and 2-methyl-2H-chromenes.","Journal of combinatorial chemistry","2010","12","6","855","876","10.1021/cc100104k","","","0.71073","MoKα","","0.0506","0.0436","","","0.1028","0.1071","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502631","8.025","0.003","8.415","0.003","14.351","0.006","87.633","0.008","83.514","0.006","61.76","0.005","848.2","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C38 H38 N2 O10 -","2","1","","Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Bharanishashank, Adluri; Narayana, Vidadala V.","Sequential one-pot combination of multireactions through multicatalysis: a general approach to rapid assembly of functionalized push-pull olefins, phenols, and 2-methyl-2H-chromenes.","Journal of combinatorial chemistry","2010","12","6","855","876","10.1021/cc100104k","","","0.71073","MoKα","","0.1298","0.0884","","","0.1894","0.2121","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502632","17.3823","0.0017","5.3652","0.0005","16.7899","0.0017","90","","109.752","0.002","90","","1473.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C76 H56 N8 O8 -","4","1","","Li, Dewen; Duan, Shudong; Hu, Youhong","Three-component one-pot approach to synthesize benzopyrano[4,3-d]pyrimidines.","Journal of combinatorial chemistry","2010","12","6","895","899","10.1021/cc100173b","","","0.71073","MoKα","","0.0668","0.048","","","0.1174","0.128","","","","","","0.982","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502633","11.0619","0.0012","11.2598","0.0013","17.5329","0.0019","90","","93.662","0.001","90","","2179.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N4 S2 -","- C25 H20 N4 S2 -","- C100 H80 N16 S8 -","4","1","","Han, Zheng-Guo; Miao, Chun-Bao; Shi, Feng; Ma, Ning; Zhang, Ge; Tu, Shu-Jiang","Diversity Synthesis of N-Substituted 2-Amino-1,6-naphthyridine Derivatives under Microwave Irradiation","Journal of Combinatorial Chemistry","2010","12","1","16","","10.1021/cc900030e","","","0.71073","MoKα","","0.3127","0.0665","","","0.0863","0.1204","","","","","","0.808","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502634","27.1869","0.0006","10.2149","0.0002","34.7688","0.0009","90","","106.095","0.001","90","","9277.2","0.4","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H35 N3 O2.5 S0.5 -","- C22 H35 N3 O2.5 S0.5 -","- C352 H560 N48 O40 S8 -","16","2","","Shaabani, Ahmad; Maleki, Ali; Hajishaabanha, Fatemeh; Mofakham, Hamid; Seyyedhamzeh, Mozhdeh; Mahyari, Mojtaba; Ng, Seik Weng","Novel Syntheses of Tetrahydrobenzodiazepines and Dihydropyrazines via Isocyanide-Based Multicomponent Reactions of Diamines","Journal of Combinatorial Chemistry","2010","12","1","186","","10.1021/cc900125a","","","0.71073","MoKα","","0.1044","0.0603","","","0.1446","0.1678","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502635","5.7118","0.0002","25.8049","0.001","11.8905","0.0006","90","","94.801","0.003","90","","1746.42","0.13","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N3 O2 -","- C18 H25 N3 O2 -","- C72 H100 N12 O8 -","4","1","","Shaabani, Ahmad; Maleki, Ali; Hajishaabanha, Fatemeh; Mofakham, Hamid; Seyyedhamzeh, Mozhdeh; Mahyari, Mojtaba; Ng, Seik Weng","Novel Syntheses of Tetrahydrobenzodiazepines and Dihydropyrazines via Isocyanide-Based Multicomponent Reactions of Diamines","Journal of Combinatorial Chemistry","2010","12","1","186","","10.1021/cc900125a","","","0.71073","MoKα","","0.1449","0.0806","","","0.1985","0.2388","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502636","9.2085","0.0009","9.6607","0.001","11.2222","0.0013","77.053","0.001","80.455","0.002","71.635","0.002","918.49","0.17","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C46 H42 N2 O6 -","2","1","","Lin, Chi-Hui; Chen, Jhih-Rong; Yang, Ding-Yah","Syntheses of Quaternary Carbon-Containing Oxazatricycle and Spiropyran Libraries via Multicomponent Reactions and Their Molecular Switching Properties","Journal of Combinatorial Chemistry","2010","12","1","119","","10.1021/cc900127g","","x-ray","0.71073","MoKα","","0.0696","0.0494","","","0.1328","0.1484","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502637","9.6289","0.0018","12.161","0.002","13.927","0.003","75.761","0.004","89.878","0.004","70.641","0.004","1485.7","0.5","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N O5 -","- C31 H29 N O5 -","- C62 H58 N2 O10 -","2","1","","Lin, Chi-Hui; Chen, Jhih-Rong; Yang, Ding-Yah","Syntheses of Quaternary Carbon-Containing Oxazatricycle and Spiropyran Libraries via Multicomponent Reactions and Their Molecular Switching Properties","Journal of Combinatorial Chemistry","2010","12","1","119","","10.1021/cc900127g","","x-ray","0.71073","MoKα","","0.1196","0.0778","","","0.228","0.2627","","","","","","1.122","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502638","14.7393","0.0004","10.7465","0.0003","25.4251","0.0007","90","","90","","90","","4027.23","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-Bromophenyl)-6-(1<i>H</i>-indol-3-yl)-2,2'-bipyridine-5-carbonitrile","","- C25 H15 Br N4 -","- C25 H15 Br N4 -","- C200 H120 Br8 N32 -","8","1","BT2842","Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T.","Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole","Journal of Combinatorial Chemistry","2010","12","1","161","","10.1021/cc9001394","","","0.71073","MoKα","","0.0934","0.0401","","","0.0949","0.1202","","","","","","0.991","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502639","8.0158","0.0009","10.0261","0.0012","14.3653","0.0017","72.26","0.006","79.42","0.006","78.224","0.006","1067.3","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","4-(2,4-Dichlorophenyl)-1,4-dihydro-2-(1H-indol-3-yl)-6-(pyridine-3- carbonitrile","4-(2,4-Dichlorophenyl)-2-(1<i>H</i>-indol-3-yl)-6-(2-pyridyl)- 1,4-dihydropyridine-4-carbonitrile","","- C25 H16 Cl2 N4 -","- C25 H16 Cl2 N4 -","- C50 H32 Cl4 N8 -","2","1","BT2767","Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T.","Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole","Journal of Combinatorial Chemistry","2010","12","1","161","","10.1021/cc9001394","","","0.71073","MoKα","","0.0534","0.0436","","","0.1237","0.1397","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502640","10.0307","0.0012","22.446","0.003","17.932","0.003","90","","90.991","0.004","90","","4036.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(2, 4-Dichlorophenyl)-6-(1H-indol-3-yl)-2,2'-bipyridine-5-carbonitrile","4-(2, 4-Dichlorophenyl)-6-(1<i>H</i>-indol-3-yl)-2,2'-bipyridine-5-carbonitrile","","- C25 H14 Cl2 N4 -","- C25 H14 Cl2 N4 -","- C200 H112 Cl16 N32 -","8","2","BT2890","Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T.","Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole","Journal of Combinatorial Chemistry","2010","12","1","161","","10.1021/cc9001394","","","0.71073","MoKα","","0.0716","0.0426","","","0.1135","0.141","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502641","9.2367","0.0006","9.6213","0.0013","10.4565","0.0008","103.872","0.006","114.049","0.004","92.266","0.006","813.92","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Cl N O -","- C21 H18 Cl N O -","- C42 H36 Cl2 N2 O2 -","2","1","","Wang, Xiang-Shan; Zhou, Jie; Yin, Ming-Yue; Yang, Ke; Tu, Shu-Jiang","Efficient and highly selective method for the synthesis of benzo(naphtho)quinoline derivatives catalyzed by iodine.","Journal of combinatorial chemistry","2010","12","2","266","269","10.1021/cc900165j","","","0.71073","MoKα","","0.0572","0.0426","","","0.1057","0.1153","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502642","9.1128","0.001","10.1416","0.0012","10.6352","0.0013","76.379","0.008","81.633","0.008","74.199","0.008","915.66","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 F N O -","- C25 H20 F N O -","- C50 H40 F2 N2 O2 -","2","1","","Wang, Xiang-Shan; Zhou, Jie; Yin, Ming-Yue; Yang, Ke; Tu, Shu-Jiang","Efficient and highly selective method for the synthesis of benzo(naphtho)quinoline derivatives catalyzed by iodine.","Journal of combinatorial chemistry","2010","12","2","266","269","10.1021/cc900165j","","","0.71073","MoKα","","0.1259","0.0923","","","0.2513","0.2745","","","","","","1.081","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502643","9.7976","0.0014","11.3938","0.0017","11.8365","0.0019","90","","120.442","0.008","90","","1139.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O -","- C12 H16 N2 O -","- C48 H64 N8 O4 -","4","1","","Wang, Xiang-Shan; Yang, Ke; Zhou, Jie; Tu, Shu-Jiang","Facile Method for the Combinatorial Synthesis of 2,2-Disubstituted Quinazolin-4(1H)-one Derivatives Catalyzed by Iodine in Ionic Liquids","Journal of Combinatorial Chemistry","2010","12","4","417","421","10.1021/cc900174p","","","0.71073","MoKα","","0.1619","0.1253","","","0.327","0.3563","","","","","","1.197","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502644","39.9096","0.0012","11.2986","0.0003","29.634","0.001","90","","131.752","0.003","90","","9969","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C448 H576 N64 O32 -","32","4","","Wang, Xiang-Shan; Yang, Ke; Zhou, Jie; Tu, Shu-Jiang","Facile Method for the Combinatorial Synthesis of 2,2-Disubstituted Quinazolin-4(1H)-one Derivatives Catalyzed by Iodine in Ionic Liquids","Journal of Combinatorial Chemistry","2010","12","4","417","421","10.1021/cc900174p","","","0.71073","MoKα","","0.0893","0.0637","","","0.1871","0.2108","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502645","6.9285","0.0002","14.9028","0.0004","10.7454","0.0003","90","","94.45","0.002","90","","1106.16","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O S -","- C12 H14 N2 O S -","- C48 H56 N8 O4 S4 -","4","1","","Wang, Xiang-Shan; Yang, Ke; Zhou, Jie; Tu, Shu-Jiang","Facile Method for the Combinatorial Synthesis of 2,2-Disubstituted Quinazolin-4(1H)-one Derivatives Catalyzed by Iodine in Ionic Liquids","Journal of Combinatorial Chemistry","2010","12","4","417","421","10.1021/cc900174p","","","0.71073","MoKα","","0.0599","0.039","","","0.0872","0.0972","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502646","4.906","0.0003","9.9103","0.0007","14.4818","0.0011","91.786","0.002","104.35","0.001","110.743","0.001","632.4","0.08","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","2-(Benzylthio)-7-methylimidazo[1,2-a]pyrimidin-5(1H)-one","","- C14 H13 N3 O S -","- C14 H13 N3 O S -","- C28 H26 N6 O2 S2 -","2","1","","Soh, Chai Hoon; Lam, Yulin","Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones.","Journal of combinatorial chemistry","2010","12","2","286","291","10.1021/cc900176x","","","0.71073","MoKα","","0.0633","0.0485","","","0.1177","0.1252","","","","","","1.047","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502647","19.8028","0.001","5.2167","0.0003","17.3692","0.0009","90","","108.081","0.001","90","","1705.72","0.16","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(Benzylthio)-1-cyclopentyl-7-methylimidazo[1,2-a]pyrimidin-5(1H)-one","","- C19 H21 N3 O S -","- C19 H21 N3 O S -","- C76 H84 N12 O4 S4 -","4","1","","Soh, Chai Hoon; Lam, Yulin","Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones.","Journal of combinatorial chemistry","2010","12","2","286","291","10.1021/cc900176x","","","0.71073","MoKα","","0.055","0.0483","","","0.1199","0.125","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502648","17.4388","0.0009","15.7401","0.0008","14.454","0.0008","90","","105.718","0.001","90","","3819.1","0.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(benzylthio)-7-methyl-5-oxo-1,5-dihydroimidazo[1,2-a]pyrimidine-6-carbaldehyde","","- C22 H19 N3 O2 S -","- C22 H19 N3 O2 S -","- C176 H152 N24 O16 S8 -","8","1","","Soh, Chai Hoon; Lam, Yulin","Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones.","Journal of combinatorial chemistry","2010","12","2","286","291","10.1021/cc900176x","","","0.71073","MoKα","","0.0478","0.0419","","","0.1129","0.1171","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502649","6.9999","0.0004","17.428","0.001","13.8297","0.0008","90","","96.91","0.001","90","","1674.89","0.17","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(6-Amino-2-benzylsulfanyl-5-phenyl-pyrimidin-4-yloxy)-acetonitrile","","- C19 H16 N4 O S -","- C19 H16 N4 O S -","- C76 H64 N16 O4 S4 -","4","1","","Soh, Chai Hoon; Lam, Yulin","Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones.","Journal of combinatorial chemistry","2010","12","2","286","291","10.1021/cc900176x","","","0.71073","MoKα","","0.0481","0.0422","","","0.1053","0.1091","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502650","7.673","0.002","8.574","0.003","9.724","0.003","99.406","0.005","93.714","0.005","93.823","0.006","627.9","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H13 Cl -","- C16 H13 Cl -","- C32 H26 Cl2 -","2","1","","Shi, Min; Shao, Li-Xiong; Lu, Jian-Mei; Wei, Yin; Mizuno, Kazuhiko; Maeda, Hajime","Chemistry of vinylidenecyclopropanes.","Chemical reviews","2010","110","10","5883","5913","10.1021/cr900381k","","","0.71073","MoKα","","0.0926","0.0516","","","0.0954","0.1072","","","","","","0.79","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502651","10.3256","0.001","11.1547","0.0011","15.7258","0.0015","108.462","0.002","93.591","0.002","91.936","0.002","1711.9","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C21 H22 -","- C21 H22 -","- C84 H88 -","4","2","","Shi, Min; Shao, Li-Xiong; Lu, Jian-Mei; Wei, Yin; Mizuno, Kazuhiko; Maeda, Hajime","Chemistry of vinylidenecyclopropanes.","Chemical reviews","2010","110","10","5883","5913","10.1021/cr900381k","","","0.71073","MoKα","","0.0881","0.0519","","","0.1198","0.1343","","","","","","0.922","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502652","10.3425","0.0013","10.3727","0.0013","11.9922","0.0015","110.546","0.002","104.412","0.002","97.464","0.002","1132.8","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H36 Cd N42 O18 -","- C18 H36 Cd N42 O18 -","- C18 H36 Cd N42 O18 -","1","0.5","","Li, Zhi-Min; Zhang, Jian-Guo; Cui, Yan; Zhang, Tong-Lai; Shu, Yuan-Jie; Sinditskii, Valery P.; Serushkin, Valery V.; Egorshin, Vyacheslav Yu.","A Novel Nitrogen-Rich Cadmium Coordination Compound Based on 1,5-Diaminotetrazole: Synthesis, Structure Investigation, and Thermal Properties","Journal of Chemical & Engineering Data","2010","55","9","3109","","10.1021/je100001b","","","0.71073","MoKα","","0.0285","0.0268","","","0.0683","0.0696","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502653","11.008","0.002","12.502","0.003","13.118","0.003","74.75","0.03","71.81","0.03","65.93","0.03","1546.7","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C18.67 H21.33 N2.67 O3.33 S1.33 Sn1.33 -","- C18.6667 H21.3333 N2.66667 O3.33333 S1.33333 Sn1.33333 -","- C56 H64 N8 O10 S4 Sn4 -","3","1.5","","Wang, Zhi-Hong; Guo, Yan-Zhao; Zhang, Jun; Ma, Lin; Song, Hai-Bin; Fan, Zhi-Jin","Synthesis and biological activity of organotin 4-methyl-1,2,3-thiadiazole-5-carboxylates and benzo[1,2,3]thiadiazole-7-carboxylates.","Journal of agricultural and food chemistry","2010","58","5","2715","2719","10.1021/jf902168d","","","0.71073","MoKα","","0.0296","0.0252","","","0.0654","0.0667","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502654","14.4537","0.001","15.5982","0.0011","15.9569","0.0012","90","","106.962","0.002","90","","3441","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 Cl4 N8 O4 S2 -","- C30 H27 Cl4 N8 O4 S2.406 -","- C120 H108 Cl16 N32 O16 S9.624 -","4","1","","Shao, Xusheng; Xu, Zhiping; Zhao, Xianfeng; Xu, Xiaoyong; Tao, Liming; Li, Zhong; Qian, Xuhong","Synthesis, crystal structure, and insecticidal activities of highly congested hexahydroimidazo[1,2-a]pyridine derivatives: effect of conformation on activities.","Journal of agricultural and food chemistry","2010","58","5","2690","2695","10.1021/jf902513t","","","0.71073","MoKα","","0.1713","0.114","","","0.2933","0.3321","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502655","22.13","0.004","9.2835","0.0018","15.475","0.003","90","","92.678","0.004","90","","3175.8","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H16 Cl2 N4 O3 -","- C14.5 H16 Cl2 N4 O3 -","- C116 H128 Cl16 N32 O24 -","8","1","","Shao, Xusheng; Fu, Hua; Xu, Xiaoyong; Xu, Xinglei; Liu, Zewen; Li, Zhong; Qian, Xuhong","Divalent and oxabridged neonicotinoids constructed by dialdehydes and nitromethylene analogues of imidacloprid: design, synthesis, crystal structure, and insecticidal activities.","Journal of agricultural and food chemistry","2010","58","5","2696","2702","10.1021/jf902531y","","","0.71073","MoKα","","0.1271","0.0744","","","0.167","0.199","","","","","","0.977","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502656","8.1431","0.0008","17.6252","0.0018","10.9792","0.0011","90","","108.142","0.002","90","","1497.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl N4 O3 -","- C15 H17 Cl N4 O3 -","- C60 H68 Cl4 N16 O12 -","4","1","","Shao, Xusheng; Fu, Hua; Xu, Xiaoyong; Xu, Xinglei; Liu, Zewen; Li, Zhong; Qian, Xuhong","Divalent and oxabridged neonicotinoids constructed by dialdehydes and nitromethylene analogues of imidacloprid: design, synthesis, crystal structure, and insecticidal activities.","Journal of agricultural and food chemistry","2010","58","5","2696","2702","10.1021/jf902531y","","","0.71073","MoKα","","0.0614","0.0482","","","0.1193","0.1264","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502657","11.325","0.002","5.1849","0.001","23.851","0.005","90","","99.56","0.03","90","","1381.1","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N6 O S2 -","- C13 H10 N6 O S2 -","- C52 H40 N24 O4 S8 -","4","1","","Fan, Zhijin; Yang, Zhikun; Zhang, Haike; Mi, Na; Wang, Huan; Cai, Fei; Zuo, Xiang; Zheng, Qingxiang; Song, Haibin","Synthesis, crystal structure, and biological activity of 4-methyl-1,2,3-thiadiazole-containing 1,2,4-triazolo[3,4-b][1,3,4]thiadiazoles.","Journal of agricultural and food chemistry","2010","58","5","2630","2636","10.1021/jf9029628","","","0.71073","MoKα","","0.0396","0.0329","","","0.0866","0.0903","","","","","","1.082","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502658","11.1695","0.0008","11.2252","0.0008","20.0044","0.0014","90","","90","","90","","2508.1","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl3 N4 O2 -","- C27 H23 Cl3 N4 O2 -","- C108 H92 Cl12 N16 O8 -","4","1","","Yan, Lin; Huo, Pei; Debenham, John S.; Madsen-Duggan, Christina B; Lao, Julie; Chen, Richard Z.; Xiao, Jing Chen; Shen, Chun-Pyn; Stribling, D. Sloan; Shearman, Lauren P.; Strack, Alison M.; Tsou, Nancy; Ball, Richard G.; Wang, Junying; Tong, Xinchun; Bateman, Thomas J.; Reddy, Vijay B. G.; Fong, Tung M.; Hale, Jeffrey J.","Discovery of N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-5-methyl-1H-pyrazole-3-carboxamide (MK-5596) as a novel cannabinoid-1 receptor (CB1R) inverse agonist for the treatment of obesity.","Journal of medicinal chemistry","2010","53","10","4028","4037","10.1021/jm100023j","","","0.71073","MoKα","","","0.043","","","0.09","0.096","","","","","","1.174","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502659","8.187","0.004","10.274","0.005","11.169","0.005","116.031","0.011","92.445","0.01","108.955","0.01","779.2","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","N,5-Dimethyl-3-(phenylsulfonyl)-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidin-2-amine","","- C17 H18 N4 O2 S -","- C17 H18 N4 O2 S -","- C34 H36 N8 O4 S2 -","2","1","","Ivachtchenko, Alexandre V.; Dmitriev, Dmitri E.; Golovina, Elena S.; Kadieva, Madina G.; Koryakova, Angela G.; Kysil, Volodymyr M.; Mitkin, Oleg D.; Okun, Ilya M.; Tkachenko, Sergey E.; Vorobiev, Anton A.","(3-Phenylsulfonylcycloalkano[e and d]pyrazolo[1,5-a]pyrimidin-2-yl)amines: potent and selective antagonists of the serotonin 5-HT6 receptor.","Journal of medicinal chemistry","2010","53","14","5186","5196","10.1021/jm100350r","","","0.71073","MoKα","","0.1205","0.049","","","0.0821","0.0915","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502660","8.7051","0.0005","16.7415","0.001","11.6695","0.0006","90","","98.996","0.005","90","","1679.75","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N,5-Trimethyl-3-(phenylsulfonyl)-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidin-amine","","- C18 H20 N4 O2 S -","- C18 H20 N4 O2 S -","- C72 H80 N16 O8 S4 -","4","1","","Ivachtchenko, Alexandre V.; Dmitriev, Dmitri E.; Golovina, Elena S.; Kadieva, Madina G.; Koryakova, Angela G.; Kysil, Volodymyr M.; Mitkin, Oleg D.; Okun, Ilya M.; Tkachenko, Sergey E.; Vorobiev, Anton A.","(3-Phenylsulfonylcycloalkano[e and d]pyrazolo[1,5-a]pyrimidin-2-yl)amines: potent and selective antagonists of the serotonin 5-HT6 receptor.","Journal of medicinal chemistry","2010","53","14","5186","5196","10.1021/jm100350r","","","1.54178","CuKα","","0.0576","0.0456","","","0.1216","0.1293","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502661","13.8735","0.0016","14.2569","0.0016","15.0005","0.0017","106.463","0.002","99.654","0.002","113.031","0.002","2484.7","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H50 N16 Ni O11 -","- C48 H42 N16 Ni O11 -","- C96 H84 N32 Ni2 O22 -","2","1","","Maldonado, Carmen R.; Marín, Clotilde; Olmo, Francisco; Huertas, Oscar; Quirós, Miguel; Sánchez-Moreno, Manuel; Rosales, María J; Salas, Juan M.","In vitro and in vivo trypanocidal evaluation of nickel complexes with an azapurine derivative against Trypanosoma cruzi.","Journal of medicinal chemistry","2010","53","19","6964","6972","10.1021/jm100581z","","","0.71073","MoKα","","0.0594","0.0497","","","0.1467","0.1529","","","","","","0.962","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502662","8.738","0.002","12.35","0.003","16.754","0.004","73.779","0.006","75.733","0.005","69.31","0.004","1601.9","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N14 Ni O4 -","- C32 H28 N14 Ni O4 -","- C64 H56 N28 Ni2 O8 -","2","1","","Maldonado, Carmen R.; Marín, Clotilde; Olmo, Francisco; Huertas, Oscar; Quirós, Miguel; Sánchez-Moreno, Manuel; Rosales, María J; Salas, Juan M.","In vitro and in vivo trypanocidal evaluation of nickel complexes with an azapurine derivative against Trypanosoma cruzi.","Journal of medicinal chemistry","2010","53","19","6964","6972","10.1021/jm100581z","","","0.71073","MoKα","","0.1599","0.0587","","","0.0946","0.1187","","","","","","0.707","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502663","13.226","0.003","15.714","0.003","16.609","0.003","90","","90.107","0.004","90","","3451.9","1.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 N14 Ni O4 -","- C36 H28 N14 Ni O4 -","- C144 H112 N56 Ni4 O16 -","4","0.5","","Maldonado, Carmen R.; Marín, Clotilde; Olmo, Francisco; Huertas, Oscar; Quirós, Miguel; Sánchez-Moreno, Manuel; Rosales, María J; Salas, Juan M.","In vitro and in vivo trypanocidal evaluation of nickel complexes with an azapurine derivative against Trypanosoma cruzi.","Journal of medicinal chemistry","2010","53","19","6964","6972","10.1021/jm100581z","","","0.71073","MoKα","","0.0877","0.0435","","","0.0911","0.1","","","","","","0.877","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502664","8.0364","0.0013","10.4906","0.0017","21.799","0.004","76.573","0.003","86.307","0.003","88.816","0.003","1783.8","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H52 Gd N5 O10 S -","- C25 H52 Gd N5 O10 S -","- C50 H104 Gd2 N10 O20 S2 -","2","1","","Raghunand, Natarajan; Guntle, Gerald P.; Gokhale, Vijay; Nichol, Gary S.; Mash, Eugene A.; Jagadish, Bhumasamudram","Design, synthesis, and evaluation of 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid derived, redox-sensitive contrast agents for magnetic resonance imaging.","Journal of medicinal chemistry","2010","53","18","6747","6757","10.1021/jm100592u","","","0.71073","MoKα","","0.0331","0.0275","","","0.0672","0.069","","","","","","1.074","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502665","7.336","0.002","8.228","0.002","10.622","0.003","83.82","0.02","103.76","0.02","103.21","0.02","605.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H38 Cl2 N6 O2 Pt -","- C16 H34 Cl2 N6 O2 Pt -","- C16 H34 Cl2 N6 O2 Pt -","1","0.5","","Marzano, Cristina; Mazzega Sbovata, Silvia; Gandin, Valentina; Colavito, Davide; Del Giudice, Elda; Michelin, Rino A.; Venzo, Alfonso; Seraglia, Roberta; Benetollo, Franco; Schiavon, Mariano; Bertani, Roberta","A new class of antitumor trans-amine-amidine-Pt(II) cationic complexes: influence of chemical structure and solvent on in vitro and in vivo tumor cell proliferation.","Journal of medicinal chemistry","2010","53","16","6210","6227","10.1021/jm1006534","","","0.71073","MoKα","","0.0303","0.0303","","","0.0777","0.0777","","","","","","1.119","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502666","24.701","0.003","6.5249","0.0009","18.081","0.004","90","","131.621","0.002","90","","2178.5","0.6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H28 B10 O -","- C19 H28 B10 O -","- C76 H112 B40 O4 -","4","1","","Beer, Michael L.; Lemon, Jennifer; Valliant, John F.","Preparation and evaluation of carborane analogues of tamoxifen.","Journal of medicinal chemistry","2010","53","22","8012","8020","10.1021/jm100758j","","","0.71073","MoKα","","0.0458","0.0389","","","0.1004","0.1047","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502667","17.7571","0.0009","6.5335","0.0004","18.0351","0.0012","90","","95.656","0.003","90","","2082.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 B10 O -","- C18 H26 B10 O -","- C72 H104 B40 O4 -","4","1","","Beer, Michael L.; Lemon, Jennifer; Valliant, John F.","Preparation and evaluation of carborane analogues of tamoxifen.","Journal of medicinal chemistry","2010","53","22","8012","8020","10.1021/jm100758j","","","1.54178","CuKα","","0.0563","0.0406","","","0.1033","0.1138","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502668","15.046","0.002","9.845","0.0013","16.267","0.002","90","","98.773","0.002","90","","2381.4","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N3 -","- C16 H10 N3 -","- C128 H80 N24 -","8","2","","Tan, Caiping; Lai, Sensen; Wu, Shouhai; Hu, Sheng; Zhou, Lingjun; Chen, Yu; Wang, Minxu; Zhu, Yiping; Lian, Wu; Peng, Wenlie; Ji, Liangnian; Xu, Anlong","Nuclear permeable ruthenium(II) β-carboline complexes induce autophagy to antagonize mitochondrial-mediated apoptosis.","Journal of medicinal chemistry","2010","53","21","7613","7624","10.1021/jm1009296","","","0.71073","MoKα","","0.0682","0.0459","","","0.1179","0.1331","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502669","14.756","0.0014","18.5156","0.0017","15.3421","0.0014","90","","113.283","0.002","90","","3850.4","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 F12 N7 O2 P2 Ru -","- C38 H33 F12 N7 O2 P2 Ru -","- C152 H132 F48 N28 O8 P8 Ru4 -","4","1","","Tan, Caiping; Lai, Sensen; Wu, Shouhai; Hu, Sheng; Zhou, Lingjun; Chen, Yu; Wang, Minxu; Zhu, Yiping; Lian, Wu; Peng, Wenlie; Ji, Liangnian; Xu, Anlong","Nuclear permeable ruthenium(II) β-carboline complexes induce autophagy to antagonize mitochondrial-mediated apoptosis.","Journal of medicinal chemistry","2010","53","21","7613","7624","10.1021/jm1009296","","","0.71073","MoKα","","0.0639","0.0451","","","0.111","0.1225","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502670","5.1805","0.0001","17.2642","0.0004","28.104","0.0006","90","","92.234","0.001","90","","2511.63","0.09","170","","170","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C26.5 H33 N O6.5 -","- C26.5 H33 N O6.5 -","- C106 H132 N4 O26 -","4","2","","Auzzas, Luciana; Larsson, Andreas; Matera, Riccardo; Baraldi, Annamaria; Deschênes-Simard, Benoît; Giannini, Giuseppe; Cabri, Walter; Battistuzzi, Gianfranco; Gallo, Grazia; Ciacci, Andrea; Vesci, Loredana; Pisano, Claudio; Hanessian, Stephen","Non-natural macrocyclic inhibitors of histone deacetylases: design, synthesis, and activity.","Journal of medicinal chemistry","2010","53","23","8387","8399","10.1021/jm101092u","","","1.54178","CuKα","","0.0512","0.0367","","","0.0812","0.086","","","","","","0.917","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502671","17.16","0.003","8.241","0.0016","28.64","0.006","90","","105.34","0.03","90","","3905.8","1.4","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N3 O4 -","- C22 H21 N3 O4 -","- C176 H168 N24 O32 -","8","1","","Zhu, Mingyan; Kim, Myung Hee; Lee, Sanghee; Bae, Su Jung; Kim, Seong Hwan; Park, Seung Bum","Discovery of novel benzopyranyl tetracycles that act as inhibitors of osteoclastogenesis induced by receptor activator of NF-κB ligand.","Journal of medicinal chemistry","2010","53","24","8760","8764","10.1021/jm1011269","","","0.71073","MoKα","","0.1122","0.059","","","0.1426","0.1672","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502672","7.2672","0.0002","11.8653","0.0003","33.6544","0.0009","90","","90","","90","","2901.94","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H52 O3 -","- C33 H52 O3 -","- C132 H208 O12 -","4","1","","Genet, Cédric; Strehle, Axelle; Schmidt, Céline; Boudjelal, Geoffrey; Lobstein, Annelise; Schoonjans, Kristina; Souchet, Michel; Auwerx, Johan; Saladin, Régis; Wagner, Alain","Structure-activity relationship study of betulinic acid, a novel and selective TGR5 agonist, and its synthetic derivatives: potential impact in diabetes.","Journal of medicinal chemistry","2010","53","1","178","190","10.1021/jm900872z","","","0.71073","MoKα","","0.0698","0.0469","","","0.1286","0.1463","","","","","","1.095","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502673","13.2127","0.0004","14.571","0.0005","37.9181","0.0012","90","","94.572","0.001","90","","7276.8","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N4 O2.5 -","- C19 H27 N4 O2.5 -","- C304 H432 N64 O40 -","16","2","","Vernekar, Sanjeev Kumar V.; Hallaq, Hasan Y.; Clarkson, Guy; Thompson, Andrew J.; Silvestri, Linda; Lummis, Sarah C. R.; Lochner, Martin","Toward biophysical probes for the 5-HT3 receptor: structure-activity relationship study of granisetron derivatives.","Journal of medicinal chemistry","2010","53","5","2324","2328","10.1021/jm901827x","","","0.71073","MoKα","","0.1025","0.075","","","0.1374","0.1529","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502674","7.3381","0.0002","10.1087","0.0003","13.655","0.0003","74.375","0.002","75.612","0.002","70.157","0.001","903.66","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H28 N4 O3 -","- C19 H28 N4 O3 -","- C38 H56 N8 O6 -","2","1","","Vernekar, Sanjeev Kumar V.; Hallaq, Hasan Y.; Clarkson, Guy; Thompson, Andrew J.; Silvestri, Linda; Lummis, Sarah C. R.; Lochner, Martin","Toward biophysical probes for the 5-HT3 receptor: structure-activity relationship study of granisetron derivatives.","Journal of medicinal chemistry","2010","53","5","2324","2328","10.1021/jm901827x","","","0.71073","MoKα","","0.0551","0.0465","","","0.1058","0.1123","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502675","8.0067","0.0008","7.9511","0.0008","9.2216","0.0009","90","","90","","90","","587.07","0.1","95","2","95","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ammonia Trifluoroborane","","","- B F3 H3 N -","- B F3 H3 N -","- B8 F24 H24 N8 -","8","1","","Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter","Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts.","The journal of physical chemistry. A","2010","114","37","10185","10196","10.1021/jp100995n","","","0.71073","MoKα","","0.024","0.014","","","","0.031","0.029","","","","","2.025","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502676","12.974","0.002","5.0702","0.001","9.5069","0.001","90","","90","","90","","625.37","0.17","95","2","95","2","","","","","","","","3","P b c n","-P 2n 2ab","60","Hydrazineborane","","","- B H7 N2 -","- B H7 N2 -","- B8 H56 N16 -","8","1","","Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter","Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts.","The journal of physical chemistry. A","2010","114","37","10185","10196","10.1021/jp100995n","","","0.71073","MoKα","","0.032","0.018","","","","0.042","0.031","","","","","1.201","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502677","8.4016","0.0005","13.4207","0.0009","22.13","0.002","90","","90","","90","","2495.3","0.3","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 N2 O2 -","- C24 H42 N2 O2 -","- C96 H168 N8 O8 -","4","1","","Corvis, Yohann; Négrier, Philippe; Lazerges, Mathieu; Massip, Stéphane; Léger, Jean-Michel; Espeau, Philippe","Lidocaine/L-menthol binary system: cocrystallization versus solid-state immiscibility.","The journal of physical chemistry. B","2010","114","16","5420","5426","10.1021/jp101303j","","","1.5418","CuKα","","0.0705","0.0485","","","0.1151","0.1225","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502678","8.4011","0.0005","10.7176","0.0006","11.4368","0.0007","67.813","0.002","83.709","0.002","67.757","0.002","881.89","0.09","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,4-dimethyl-2-pyridinone)","","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","1","0.5","","Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem","Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound.","The journal of physical chemistry. A","2010","114","27","7377","7381","10.1021/jp101703q","","","0.71073","MoKα","","0.0711","0.0445","","","0.1048","0.1193","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502679","8.4065","0.0003","10.7888","0.0004","11.3346","0.0004","66.999","0.001","86.542","0.001","67.967","0.001","872.67","0.06","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,4-dimethyl-2-pyridinone)","","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","1","0.5","","Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem","Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound.","The journal of physical chemistry. A","2010","114","27","7377","7381","10.1021/jp101703q","","","0.71073","MoKα","","0.0593","0.0433","","","0.1131","0.1255","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502680","8.4124","0.0007","10.7275","0.001","11.4652","0.001","67.875","0.002","84.032","0.002","67.981","0.002","887.73","0.14","280","2","280","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,4-dimethyl-2-pyridinone)","","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","1","0.5","","Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem","Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound.","The journal of physical chemistry. A","2010","114","27","7377","7381","10.1021/jp101703q","","","0.71073","MoKα","","0.0833","0.0438","","","0.1089","0.1301","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502681","8.4248","0.0008","10.8144","0.001","11.364","0.0009","66.894","0.002","86.649","0.003","68.06","0.002","878.61","0.14","280","2","280","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,4-dimethyl-2-pyridinone)","","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","1","0.5","","Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem","Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound.","The journal of physical chemistry. A","2010","114","27","7377","7381","10.1021/jp101703q","","","0.71073","MoKα","","0.0868","0.0505","","","0.134","0.1571","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502682","8.4113","0.0006","10.8816","0.0009","11.4046","0.0008","65.404","0.002","86.157","0.002","66.822","0.002","866.65","0.11","280","2","280","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol : dimer of 1,4-dimethyl-2-pyridinone","","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","1","0.5","","Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem","Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound.","The journal of physical chemistry. A","2010","114","27","7377","7381","10.1021/jp101703q","","","0.71073","MoKα","","0.0754","0.0499","","","0.1339","0.1526","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502683","8.3944","0.0002","10.8552","0.0003","11.3656","0.0003","65.502","0.001","86.065","0.001","66.745","0.001","860.25","0.04","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol : dimer of 1,4-dimethyl-2-pyridinone","","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","1","0.5","","Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem","Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound.","The journal of physical chemistry. A","2010","114","27","7377","7381","10.1021/jp101703q","","","0.71073","MoKα","","0.0547","0.0419","","","0.1156","0.1287","","","","","","0.937","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502684","7.5854","0.0006","10.1921","0.0009","17.4297","0.0014","100.583","0.001","90.868","0.001","102.642","0.001","1290.32","0.18","243","2","243","2","","","","","","","","5","P -1","-P 1","2","H(C15H10O)2_AuCl4","Bis(9-Antraldehyde)hydrolium tetrachloricauric","","- C30 H21 Au Cl4 O2 -","- C30 H21 Au Cl4 O2 -","- C60 H42 Au2 Cl8 O4 -","2","1","","Hwang, In-Chul; Heo, Sung Woo; Singh, N. Jiten; Lee, Jung Woo; Chun, Young; Baek, Seung Bin; Jin, Kyeong Sik; Ree, Moonhor; Lee, Hee Cheon; Kim, Seung Bin; Kim, Kwang S.","Self-assembled thermally highly stable 1-dimensional proton arrays.","The journal of physical chemistry. B","2010","114","21","7216","7221","10.1021/jp101990f","","","0.71073","MoKα","","0.0517","0.0321","","","0.0734","0.0873","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502685","24.538","0.003","28.186","0.003","18.9595","0.0019","90","","129.526","0.001","90","","10114.5","1.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H76 Cl4 Cu F6 N4 P -","- C110 H76 Cl4 Cu F6 N4 P -","- C440 H304 Cl16 Cu4 F24 N16 P4 -","4","0.5","","Lockard, Jenny V.; Kabehie, Sanaz; Zink, Jeffrey I.; Smolentsev, Grigory; Soldatov, Alexander; Chen, Lin X.","Influence of ligand substitution on excited state structural dynamics in Cu(I) bisphenanthroline complexes.","The journal of physical chemistry. B","2010","114","45","14521","14527","10.1021/jp102278u","","","0.71073","MoKα","","0.0822","0.0574","","","0.1683","0.1807","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502686","22.186","0.003","6.4852","0.0003","14.4065","0.0013","90","","122.621","0.015","90","","1745.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 F12 N4 P2 -","- C10 H16 F12 N4 P2 -","- C40 H64 F48 N16 P8 -","4","0.5","","Lee, Minjae; Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W.","Structure and properties of N,N-alkylene bis(N'-alkylimidazolium) salts.","The journal of physical chemistry. B","2010","114","21","7312","7319","10.1021/jp102370j","","x-ray","0.71073","MoKα","","0.0358","0.0288","","","0.0759","0.078","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502687","6.5214","0.0003","6.9156","0.0003","13.8874","0.0007","97.336","0.004","97.674","0.004","99.448","0.004","605.07","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 F12 N4 P2 -","- C16 H28 F12 N4 P2 -","- C16 H28 F12 N4 P2 -","1","0.5","","Lee, Minjae; Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W.","Structure and properties of N,N-alkylene bis(N'-alkylimidazolium) salts.","The journal of physical chemistry. B","2010","114","21","7312","7319","10.1021/jp102370j","","x-ray","0.71073","MoKα","","0.0961","0.0517","","","0.1129","0.1269","","","","","","0.989","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502688","16.772","0.008","13.145","0.005","6.847","0.005","90","","90","","90","","1509.5","1.4","","","","","","","","","","","","4","I m c m","-I 2 2a","74","","","","- C8 Cr D4 O5 -","- C8 Cr D4 O5 -","- C32 Cr4 D16 O20 -","4","0.25","","Mulder, Fokko M.; Assfour, Bassem; Huot, Jacques; Dingemans, Theo J.; Wagemaker, Marnix; Ramirez-Cuesta, A. J.","Hydrogen in the Metal−Organic Framework Cr MIL-53","The Journal of Physical Chemistry C","2010","114","23","10648","","10.1021/jp102463p","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502689","4.0339","0.0004","4.0339","","4.0339","","90","","90","","90","","65.641","0.007","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Al -","- Al -","- Al4 -","4","0.0208333","","Mulder, Fokko M.; Assfour, Bassem; Huot, Jacques; Dingemans, Theo J.; Wagemaker, Marnix; Ramirez-Cuesta, A. J.","Hydrogen in the Metal−Organic Framework Cr MIL-53","The Journal of Physical Chemistry C","2010","114","23","10648","","10.1021/jp102463p","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502690","18.6386","0.0001","13.49476","0.00006","7.63047","0.00004","90","","101.616","0.0004","90","","1879.94","0.017","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- O2.06 Si -","- O2.06188 Si -","- O65.98 Si32 -","32","4","","Saada, Mohamed Ali; Rigolet, Séverinne; Paillaud, Jean-Louis; Bats, Nicolas; Soulard, Michel; Patarin, Joël","Investigation of the Energetic Performance of Pure Silica ITQ-4 (IFR) Zeolite under High Pressure Water Intrusion","The Journal of Physical Chemistry C","2010","114","26","11650","","10.1021/jp102663f","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502691","18.60462","0.00023","13.49472","0.00012","7.60745","0.0001","90","","101.425","0.001","90","","1872.11","0.04","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- O2.27 Si -","- O2.27337 Si -","- O72.748 Si32 -","32","4","","Saada, Mohamed Ali; Rigolet, Séverinne; Paillaud, Jean-Louis; Bats, Nicolas; Soulard, Michel; Patarin, Joël","Investigation of the Energetic Performance of Pure Silica ITQ-4 (IFR) Zeolite under High Pressure Water Intrusion","The Journal of Physical Chemistry C","2010","114","26","11650","","10.1021/jp102663f","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502692","13.8831","0.0003","17.7009","0.0003","18.0031","0.0003","97.4088","0.0007","106.035","0.0007","103.607","0.0007","4042.63","0.13","93.1","","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C126 H66 N8 Zn -","- C111 H51 N5 Zn -","- C222 H102 N10 Zn2 -","2","1","","Yamada, Hiroko; Ohkubo, Kei; Kuzuhara, Daiki; Takahashi, Tetsuro; Sandanayaka, Atula S. D.; Okujima, Tetsuo; Ohara, Keishi; Ito, Osamu; Uno, Hidemitsu; Ono, Noboru; Fukuzumi, Shunichi","Synthesis, crystal structure, and photodynamics of π-expanded porphyrin-fullerene dyads synthesized by Diels-Alder reaction.","The journal of physical chemistry. B","2010","114","45","14717","14728","10.1021/jp102966x","","","1.54187","CuKα","","0.1061","0.0714","","","0.1614","0.1846","","","","","","1.002","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502693","21.33","0.002","7.7725","0.0008","22.864","0.002","90","","100.666","0.002","90","","3725.1","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 F6 N3 O13 P Ru3 -","- C27 H33 F6 N3 O13 P Ru3 -","- C108 H132 F24 N12 O52 P4 Ru12 -","4","1","","Goeltz, John C.; Benson, Eric E.; Kubiak, Clifford P.","Electronic structural effects in self-exchange reactions.","The journal of physical chemistry. B","2010","114","45","14729","14734","10.1021/jp103009b","","","0.71073","MoKα","","0.0613","0.0448","","","0.1002","0.1088","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502694","14.657","0.006","18.3","0.008","17.958","0.008","90","","95.826","0.006","90","","4792","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 Cl9 N2 O14 Ru3 -","- C34 H35 Cl9 N2 O14 Ru3 -","- C136 H140 Cl36 N8 O56 Ru12 -","4","1","","Goeltz, John C.; Benson, Eric E.; Kubiak, Clifford P.","Electronic structural effects in self-exchange reactions.","The journal of physical chemistry. B","2010","114","45","14729","14734","10.1021/jp103009b","","","0.71073","MoKα","","0.0529","0.0388","","","0.0866","0.0959","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502695","8.6041","0.0002","7.8833","0.0001","18.1199","0.0003","90","","101.13","0.0008","90","","1205.93","0.04","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H36 O8 -","- C24 H36 O8 -","- C48 H72 O16 -","2","0.5","","Balomenou, Ioanna; Kaloudi-Chantzea, Antonia; Bokias, Georgios; Kallitsis, Joannis K.; Raptopoulou, Catherine P.; Terzis, Aris; Pistolis, George","Medium effect on the geometric isomerism of a centrosymmetrically disubstituted naphthalene derivative with flexible methoxytriethylene glycol chains.","The journal of physical chemistry. B","2010","114","24","8181","8190","10.1021/jp103095z","","","1.5418","CuKα","","0.0631","0.0579","","","0.1666","0.1718","","","","","","1.109","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502696","7.012","0.003","8.204","0.003","13.839","0.006","99.83","0.006","104.43","0.005","103.92","0.006","725.5","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Br N3 S -","- C16 H12 Br N3 S -","- C32 H24 Br2 N6 S2 -","2","1","","Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang","Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole","The Journal of Physical Chemistry C","2010","114","35","15109","","10.1021/jp103159b","","","0.71073","MoKα","","0.0619","0.0546","","","0.0953","0.0985","","","","","","1.158","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502697","20.712","0.003","24.812","0.008","7.977","0.006","90","","90","","90","","4099","3","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C24 H18 N6 S -","- C24 H18 N6 S -","- C192 H144 N48 S8 -","8","1","","Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang","Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole","The Journal of Physical Chemistry C","2010","114","35","15109","","10.1021/jp103159b","","","0.71073","MoKα","","0.107","0.0929","","","0.1642","0.1727","","","","","","1.171","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502698","7.796","0.002","11.103","0.004","11.989","0.004","116.03","0.006","94.517","0.005","90.441","0.003","928.6","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N4 S -","- C21 H22 N4 S -","- C42 H44 N8 S2 -","2","1","","Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang","Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole","The Journal of Physical Chemistry C","2010","114","35","15109","","10.1021/jp103159b","","","0.71073","MoKα","","0.0949","0.0725","","","0.1339","0.1446","","","","","","1.138","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502699","9.245","0.002","7.1205","0.0016","20.631","0.005","90","","98.268","0.003","90","","1344","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 S -","- C16 H13 N3 S -","- C64 H52 N12 S4 -","4","1","","Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang","Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole","The Journal of Physical Chemistry C","2010","114","35","15109","","10.1021/jp103159b","","","0.71073","MoKα","","0.073","0.0662","","","0.1165","0.1195","","","","","","1.235","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502700","4.909","0.001","11.892","0.002","23.014","0.005","90","","90","","90","","1343.5","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dilithium and thallium(I) propanoate","Dilithium and thallium(I) tripropanoate","","- C9 H15 Li2 O6 Tl -","- C9 H15 Li2 O6 Tl -","- C36 H60 Li8 O24 Tl4 -","4","1","","Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A","Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase.","The journal of physical chemistry. B","2010","114","31","10075","10085","10.1021/jp1031702","","","0.9786","Synchrotron","","0.0558","0.052","","","0.128","0.1316","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502701","7.302","0.0015","10.636","0.002","21.028","0.004","90","","90","","90","","1633.1","0.6","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Thallium(I) propanoate","Thallium(I) propionoate","","- C3 H5 O2 Tl -","- C3 H5 O2 Tl -","- C36 H60 O24 Tl12 -","12","3","","Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A","Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase.","The journal of physical chemistry. B","2010","114","31","10075","10085","10.1021/jp1031702","","","0.7513","Synchrotron","","0.0976","0.07","","","0.176","0.21","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502702","4.92085","0.00007","12.03031","0.00019","33.8289","0.0004","90","","91.3425","0.0012","90","","2002.1","0.05","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dilithium and thallium(I) propanoate","Dilithium and thallium(I) tripropanoate","","- C15 Li2 O6 Tl -","- C15 Li2 O6 Tl -","- C60 Li8 O24 Tl4 -","4","1","","Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A","Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase.","The journal of physical chemistry. B","2010","114","31","10075","10085","10.1021/jp1031702","powder diffraction","","0.8266","Synchrotron","","","","","","","","","3.5258","1.0144","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502703","7.0017","0.0013","13.5124","0.0015","5.017","0.0009","90","","121.37","0.03","90","","405.27","0.17","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- F N3 O2 S -","- F N3 O2 S -","- F4 N12 O8 S4 -","4","1","","Zeng, Xiaoqing; Gerken, Michael; Beckers, Helmut; Willner, Helge","Anomeric effects in sulfonyl compounds: an experimental and computational study of fluorosulfonyl azide, FSO(2)N(3), and trifluoromethylsulfonyl azide, CF(3)SO(2)N(3).","The journal of physical chemistry. A","2010","114","28","7624","7630","10.1021/jp103616q","","","0.71073","MoKα","","0.0275","0.026","","","0.0649","0.0655","","","","","","1.004","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502704","5.0666","0.0004","17.0136","0.001","7.0041","0.0005","90","","106.13","0.007","90","","579.99","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C F3 N3 O2 S -","- C F3 N3 O2 S -","- C4 F12 N12 O8 S4 -","4","1","","Zeng, Xiaoqing; Gerken, Michael; Beckers, Helmut; Willner, Helge","Anomeric effects in sulfonyl compounds: an experimental and computational study of fluorosulfonyl azide, FSO(2)N(3), and trifluoromethylsulfonyl azide, CF(3)SO(2)N(3).","The journal of physical chemistry. A","2010","114","28","7624","7630","10.1021/jp103616q","","","0.71073","MoKα","","0.0449","0.0316","","","0.0673","0.0696","","","","","","0.977","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502705","10.296","0.0007","11.5493","0.0007","17.6364","0.0012","90","","100.126","0.003","90","","2064.5","0.2","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N2 -","- C23 H28 N2 -","- C92 H112 N8 -","4","1","","Cruz, A. J.; Siam, K.; Moore, C.; Islam, M.; Rillema, D. P.","Dicyano and pyridine derivatives of retinal: synthesis and vibronic, electronic, and photophysical properties.","The journal of physical chemistry. A","2010","114","25","6766","6775","10.1021/jp103749b","","","0.71073","MoKα","","0.1353","0.0681","","","0.157","0.1968","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502706","6.8351","0.0007","7.4409","0.0007","24.397","0.002","89.25","0.006","85.685","0.006","69.736","0.005","1160.61","0.19","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H32 N2 -","- C27 H32 N2 -","- C54 H64 N4 -","2","1","","Cruz, A. J.; Siam, K.; Moore, C.; Islam, M.; Rillema, D. P.","Dicyano and pyridine derivatives of retinal: synthesis and vibronic, electronic, and photophysical properties.","The journal of physical chemistry. A","2010","114","25","6766","6775","10.1021/jp103749b","","","0.71073","MoKα","","0.1182","0.0627","","","0.1455","0.1774","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502707","23.5711","0.0006","23.5711","0.0006","12.4361","0.0006","90","","90","","90","","6909.5","0.4","150","2","150","2","","","","","","","","5","P 42/m","-P 4c","84","tetrabutylammonium chloride TS I clathrate hydrate","tetrabutylammonium chloride clathrate hydrate","","- C16 H100 Cl N O32 -","- C20 H47 Cl0.621 N1.25 O41.597 -","- C80 H188 Cl2.484 N5 O166.388 -","4","0.5","","Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A.","Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates.","The journal of physical chemistry. B","2010","114","36","11838","11846","10.1021/jp103939q","","","0.71073","MoKα","","0.1167","0.1024","","","0.2853","0.2982","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502708","23.5818","0.0006","23.5818","0.0006","12.4148","0.0007","90","","90","","90","","6903.9","0.5","150","2","150","2","","","","","","","","5","P 42/m","-P 4c","84","tetrabutylammonium chloride TS I clathrate hydrate","tetrabutylammonium chloride clathrate hydrate","","- C16 H100 Cl N O32 -","- C20 H46 Cl0.656 N1.25 O41.624 -","- C80 H184 Cl2.624 N5 O166.496 -","4","0.5","","Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A.","Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates.","The journal of physical chemistry. B","2010","114","36","11838","11846","10.1021/jp103939q","","","0.71073","MoKα","","0.1121","0.1003","","","0.2784","0.288","","","","","","1.084","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502709","23.5211","0.0007","23.5211","0.0007","12.488","0.0006","90","","90","","90","","6908.9","0.4","150","2","150","2","","","","","","","","5","P 42/m","-P 4c","84","tetrabutylammonium chloride TS I clathrate hydrate","tetrabutylammonium chloride clathrate hydrate","","- C16 H96 Cl N O30 -","- C16.3392 H36 Cl0.4928 N1.8 O33.144 -","- C81.696 H180 Cl2.464 N9 O165.72 -","5","0.625","","Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A.","Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates.","The journal of physical chemistry. B","2010","114","36","11838","11846","10.1021/jp103939q","","","0.71073","MoKα","","0.1602","0.1392","","","0.4385","0.4687","","","","","","2.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502710","23.488","0.004","23.488","0.004","12.529","0.002","90","","90","","90","","6912","2","150","2","150","2","","","","","","","","5","P 42/m","-P 4c","84","tetrabutylammonium chloride TS I clathrate hydrate","tetrabutylammonium chloride clathrate hydrate","","- C16 H96 Cl N O30 -","- C16 H36 Cl0.5776 N O32.9472 -","- C80 H180 Cl2.888 N5 O164.736 -","5","0.625","","Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A.","Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates.","The journal of physical chemistry. B","2010","114","36","11838","11846","10.1021/jp103939q","","","0.71073","MoKα","","0.1515","0.1313","","","0.3536","0.3719","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502711","25.2056","0.0008","15.4634","0.0005","19.9594","0.0006","90","","92.52","0.002","90","","7771.9","0.4","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Gd3N@C86.NiOEP.2benzene","","","- C134 H56 Gd3 N5 Ni -","- C134 H56 Gd2.663 N5 Ni -","- C536 H224 Gd10.652 N20 Ni4 -","4","0.5","","Chaur, Manuel N.; Aparicio-Anglès, Xavier; Mercado, Brandon Q.; Elliott, Bevan; Rodríguez-Fortea, Antonio; Clotet, Anna; Olmstead, Marilyn M.; Balch, Alan L.; Poblet, Josep M.; Echegoyen, Luis","Structural and Electrochemical Property Correlations of Metallic Nitride Endohedral Metallofullerenes","The Journal of Physical Chemistry C","2010","114","30","13003","","10.1021/jp104352d","","","0.7749","synchrotron","","0.0713","0.0607","","","0.1638","0.1735","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502712","19.4543","0.0009","10.1426","0.0003","22.8662","0.0012","90","","92.539","0.004","90","","4507.5","0.3","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","alpha-(meso-Tetrakis(4-chlorophenyl)porphinato) manganese(III) Tetracyanoethenide","","- C50 H24 Cl4 Mn N8 -","- C50 H24 Cl4 Mn N8 -","- C200 H96 Cl16 Mn4 N32 -","4","0.5","","Her, Jae-Hyuk; Stephens, Peter W.; Bagnato, Joshua D.; Miller, Joel S.","Structures and Magnetostructural Correlation of Two Desolvated Polymorphs of Ferrimagneticmeso-Tetrakis(4-chlorophenyl)porphinatomanganese(III) Tetracyanoethenide, [MnTClPP]+[TCNE]•−†","The Journal of Physical Chemistry C","2010","114","48","20614","","10.1021/jp105109d","powder diffraction","","0.605917","synchrotron","","","","","","","","","0.018","1.284","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502713","9.5196","0.00015","10.7091","0.00019","22.28","0.0004","90","","92.8788","0.0018","90","","2268.5","0.07","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","gamma-(meso-Tetrakis(4-chlorophenyl)porphinato) manganese(III) Tetracyanoethenide","","- C50 H24 Cl4 Mn N8 -","- C50 H24 Cl4 Mn N8 -","- C100 H48 Cl8 Mn2 N16 -","2","0.5","","Her, Jae-Hyuk; Stephens, Peter W.; Bagnato, Joshua D.; Miller, Joel S.","Structures and Magnetostructural Correlation of Two Desolvated Polymorphs of Ferrimagneticmeso-Tetrakis(4-chlorophenyl)porphinatomanganese(III) Tetracyanoethenide, [MnTClPP]+[TCNE]•−†","The Journal of Physical Chemistry C","2010","114","48","20614","","10.1021/jp105109d","powder diffraction","","0.605917","synchrotron","","","","","","","","","0.024","1.649","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502714","7.9959","0.0002","14.6373","0.0008","14.3746","0.0008","90","","100.578","0.01","90","","1653.79","0.15","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 O12 Ru3 -","- C12 O12 Ru3 -","- C48 O48 Ru12 -","4","1","","Gervasio, Giuliana; Marabello, Domenica; Bianchi, Riccardo; Forni, Alessandra","Detection of weak intramolecular interactions in Ru(3)(CO)(12) by topological analysis of charge density distributions.","The journal of physical chemistry. A","2010","114","34","9368","9373","10.1021/jp105130z","","","0.71073","MoKα","","0.0208","","","0.0199","","","","","1.0206","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502715","35.166","0.002","8.308","0.005","22.479","0.001","90","","101.477","0.004","90","","6436","4","180","2","180","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C54 H70 Cl4 Cu2 N12 O23 -","- C54 H70 Cl4 Cu2 N12 O23 -","- C216 H280 Cl16 Cu8 N48 O92 -","4","1","","Hirva, Pipsa; Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J.","Potential cross-linking transition metal complexes (M = Ni, Cu, Zn) in the ligand-modified LNA duplexes.","The journal of physical chemistry. B","2010","114","36","11942","11948","10.1021/jp105528y","","","0.897","synchrotron","","0.1213","0.1077","","","0.3123","0.3342","","","","","","1.208","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502716","8.0644","0.0003","19.3905","0.0006","12.439","0.0004","90","","99.56","0.001","90","","1918.11","0.11","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Cl4 Cu2 N6 O12 -","- C32 H38 Cl4 Cu2 N6 O12 -","- C64 H76 Cl8 Cu4 N12 O24 -","2","0.5","","Hirva, Pipsa; Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J.","Potential cross-linking transition metal complexes (M = Ni, Cu, Zn) in the ligand-modified LNA duplexes.","The journal of physical chemistry. B","2010","114","36","11942","11948","10.1021/jp105528y","","","0.71073","MoKα","","0.0783","0.0556","","","0.1128","0.1189","","","","","","1.127","","","","has coordinates,has disorder","301775","2025-08-18","14:01:17",""
"1502717","7.9762","0.0003","19.5479","0.0007","26.4798","0.0009","90","","93.901","0.001","90","","4119.1","0.3","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Cl4 Cu2 N6 O13 -","- C33 H42 Cl4 Cu2 N6 O13 -","- C132 H168 Cl16 Cu8 N24 O52 -","4","1","","Hirva, Pipsa; Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J.","Potential cross-linking transition metal complexes (M = Ni, Cu, Zn) in the ligand-modified LNA duplexes.","The journal of physical chemistry. B","2010","114","36","11942","11948","10.1021/jp105528y","","","0.71073","MoKα","","0.0897","0.0438","","","0.0923","0.1065","","","","","","1.02","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502718","15.419","0.004","15.464","0.005","15.612","0.004","102.72","0.014","102.012","0.012","104.309","0.015","3380.1","1.7","200","1","200","1","","","","","","","","3","P 1","P 1","1","","","","- C98.7 H140 O96.95 -","- C98.69 H140 O96.96 -","- C98.69 H140 O96.96 -","1","1","","Guerrero-Martínez, Andrés; Avila, David; Martínez-Casado, Francisco J; Ripmeester, John A.; Enright, Gary D.; De Cola, Luisa; Tardajos, Gloria","Solid crystal network of self-assembled cyclodextrin and nonionic surfactant pseudorotaxanes.","The journal of physical chemistry. B","2010","114","35","11489","11495","10.1021/jp105808j","","","0.71073","MoKα","","0.1466","0.0849","","","0.1986","0.2506","","","","","","1.051","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502719","20.2439","0.0014","14.5966","0.0009","21.7947","0.0016","90","","100.403","0.002","90","","6334.3","0.7","153","2","153","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","C60Ph5BuBr","","- C107 H47 Br -","- C107 H47 Br -","- C428 H188 Br4 -","4","1","","Matsuo, Yutaka; Lacher, Sebastian; Sakamoto, Aiko; Matsuo, Keiko; Nakamura, Eiichi","Conical Pentaaryl[60]fullerene Thiols: Self-Assembled Monolayers on Gold and Photocurrent Generating Property","The Journal of Physical Chemistry C","2010","114","41","17741","","10.1021/jp1059402","","x-ray","0.71073","MoKα","","0.1639","0.1178","","","0.3297","0.3793","","","","","","1.232","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502720","17.009","","22.21","","22.825","","99.68","","104.3","","90.07","","8228.22","","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","C60biph5hexSAc_CS2_2","","- C266 H120 O2 S4 -","- C266 H120 O2 S4 -","- C532 H240 O4 S8 -","2","1","","Matsuo, Yutaka; Lacher, Sebastian; Sakamoto, Aiko; Matsuo, Keiko; Nakamura, Eiichi","Conical Pentaaryl[60]fullerene Thiols: Self-Assembled Monolayers on Gold and Photocurrent Generating Property","The Journal of Physical Chemistry C","2010","114","41","17741","","10.1021/jp1059402","","x-ray","0.71073","MoKα","","0.2931","0.1072","","","0.2616","0.3687","","","","","","0.933","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502721","13.0031","0.0011","14.4347","0.0012","5.1506","0.0004","90","","96.347","0.002","90","","960.82","0.14","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/m 1","-C 2y","12","","","","- C4 H9 Li2 Mo N O9 -","- C4 H9 Li2 Mo N O9 -","- C16 H36 Li8 Mo4 N4 O36 -","4","0.5","","Deb, Dibakar; Giri, Santanab; Chattaraj, Pratim K.; Bhattacharjee, Manish","Synthesis and structure of a 3D porous network containing aromatic 1D chains of Li(6) rings: experimental and computational studies.","The journal of physical chemistry. A","2010","114","40","10871","10877","10.1021/jp106028y","","x-ray","0.71073","MoKα","","0.0262","0.0238","","","0.0513","0.0522","","","","","","1.172","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502722","19.7305","0.0004","7.5421","0.0002","19.521","0.0004","90","","108.659","0.001","90","","2752.22","0.11","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 N2 O -","- C7 H8 N2 O -","- C112 H128 N32 O16 -","16","2","","Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari","Self-organization of 2-acylaminopyridines in the solid state and in solution.","The journal of physical chemistry. A","2010","114","38","10421","10426","10.1021/jp1063116","","","0.71073","MoKα","","0.0555","0.0422","","","0.0893","0.0961","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502723","7.76","0.0004","8.5323","0.0004","12.8473","0.0006","86.484","0.003","86.143","0.004","70.363","0.003","798.66","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C32 H40 N8 O4 -","4","2","","Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari","Self-organization of 2-acylaminopyridines in the solid state and in solution.","The journal of physical chemistry. A","2010","114","38","10421","10426","10.1021/jp1063116","","","0.71073","MoKα","","0.0917","0.072","","","0.1816","0.196","","","","","","1.117","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502724","12.7255","0.0003","15.1322","0.0006","8.1552","0.0003","90","","90","","90","","1570.4","0.09","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","1","","Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari","Self-organization of 2-acylaminopyridines in the solid state and in solution.","The journal of physical chemistry. A","2010","114","38","10421","10426","10.1021/jp1063116","","","0.71073","MoKα","","0.0594","0.0437","","","0.0964","0.1053","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:17",""
"1502725","16.3623","0.0004","9.5058","0.0002","12.8922","0.0003","90","","112.879","0.002","90","","1847.46","0.08","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C72 H96 N16 O8 -","8","2","","Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari","Self-organization of 2-acylaminopyridines in the solid state and in solution.","The journal of physical chemistry. A","2010","114","38","10421","10426","10.1021/jp1063116","","","0.71073","MoKα","","0.0743","0.0563","","","0.1239","0.134","","","","","","1.133","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502726","15.0714","0.001","9.4669","0.0006","12.7208","0.0009","90","","90.861","0.004","90","","1814.8","0.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C72 H96 N16 O8 -","8","1","","Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari","Self-organization of 2-acylaminopyridines in the solid state and in solution.","The journal of physical chemistry. A","2010","114","38","10421","10426","10.1021/jp1063116","","","0.71073","MoKα","","0.0911","0.0592","","","0.1087","0.1209","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502727","23.5657","0.0004","23.5657","0.0004","9.5946","0.0002","90","","90","","120","","4614.43","0.15","123","2","123","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C180 H252 N36 O18 -","18","1","","Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari","Self-organization of 2-acylaminopyridines in the solid state and in solution.","The journal of physical chemistry. A","2010","114","38","10421","10426","10.1021/jp1063116","","","0.71073","MoKα","","0.0621","0.0599","","","0.1622","0.1643","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502728","9.8731","0.0002","10.0067","0.0002","30.9126","0.0006","90","","95.154","0.001","90","","3041.73","0.1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C120 H168 N24 O12 -","12","3","","Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari","Self-organization of 2-acylaminopyridines in the solid state and in solution.","The journal of physical chemistry. A","2010","114","38","10421","10426","10.1021/jp1063116","","","0.71073","MoKα","","0.0999","0.0606","","","0.1118","0.1282","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502729","11.0135","0.0002","10.1491","0.0002","19.8528","0.0003","90","","90","","90","","2219.09","0.07","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C88 H128 N16 O8 -","8","1","","Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari","Self-organization of 2-acylaminopyridines in the solid state and in solution.","The journal of physical chemistry. A","2010","114","38","10421","10426","10.1021/jp1063116","","","0.71073","MoKα","","0.0477","0.0401","","","0.0972","0.103","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502730","9.8846","0.0002","27.5538","0.0006","9.9296","0.0002","90","","90","","90","","2704.41","0.1","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C128 H160 N16 O8 -","8","1","","Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari","Self-organization of 2-acylaminopyridines in the solid state and in solution.","The journal of physical chemistry. A","2010","114","38","10421","10426","10.1021/jp1063116","","","0.71073","MoKα","","0.0708","0.0496","","","0.1006","0.1114","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502731","9.2829","0.0005","6.2367","0.0002","31.336","0.003","90","","95.449","0.007","90","","1806","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Theophyllinium salicylic-5-sulfonate dihydrate salt","","- C14 H18 N4 O10 S -","- C14 H18 N4 O10 S -","- C56 H72 N16 O40 S4 -","4","1","","Stevens, Joanna S.; Byard, Stephen J.; Muryn, Christopher A.; Schroeder, Sven L. M.","Identification of protonation state by XPS, solid-state NMR, and DFT: characterization of the nature of a new theophylline complex by experimental and computational methods.","The journal of physical chemistry. B","2010","114","44","13961","13969","10.1021/jp106465u","","","0.71073","MoKα","","0.0669","0.0525","","","0.1224","0.1276","","","","","","1.161","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502732","8.966","0.001","18.422","0.002","10.4846","0.0016","90","","116.327","0.009","90","","1552.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(diphenylamino)cinnamaldehyde","","","- C21 H17 N O -","- C21 H17 N O -","- C84 H68 N4 O4 -","4","1","","Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Helliwell, Madeleine; Brunschwig, Bruce S.; Asselberghs, Inge; Clays, Koen; Olesiak, Joanna; Matczyszyn, Katarzyna; Samoc, Marek","Quadratic and cubic nonlinear optical properties of salts of diquat-based chromophores with diphenylamino substituents.","The journal of physical chemistry. A","2010","114","45","12028","12041","10.1021/jp106473e","","","0.71073","MoKα","","0.0796","0.0362","","","0.0476","0.0503","","","","","","0.901","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502733","8.0652","0.0019","13.81","0.003","20.684","0.005","106.539","0.004","99.424","0.004","96.092","0.004","2150.1","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.5 H38.75 F12 N3.25 O0.5 P2 -","- C38.5 H38.75 F12 N3.25 O0.5 P2 -","- C77 H77.5 F24 N6.5 O P4 -","2","1","","Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Helliwell, Madeleine; Brunschwig, Bruce S.; Asselberghs, Inge; Clays, Koen; Olesiak, Joanna; Matczyszyn, Katarzyna; Samoc, Marek","Quadratic and cubic nonlinear optical properties of salts of diquat-based chromophores with diphenylamino substituents.","The journal of physical chemistry. A","2010","114","45","12028","12041","10.1021/jp106473e","","","0.71073","MoKα","","0.169","0.0958","","","0.2297","0.2637","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502734","39.1553","0.0007","39.1553","0.0007","11.16743","0.00018","90","","90","","120","","14827.4","0.4","293","2","293","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- C44 H30 -","- C44 H30 -","- C792 H540 -","18","1","","Han, Qingchuan; Su, Qiang; Tang, Lei; Feng, Jinwu; Lu, Ping; Wang, Yanguang","Electron Transfer and Aggregate Formation Coinduced Emission Enhancement of 9-Cycloheptatrienylidene Fluorenes in the Presence of Cupric Chloride","The Journal of Physical Chemistry C","2010","114","43","18702","","10.1021/jp1068126","","","1.54184","CuKα","","0.0602","0.0532","","","0.1655","0.1724","","","","","","1.147","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502735","10.5356","0.001","9.7161","0.0006","41.525","0.002","90","","94.721","0.007","90","","4236.3","0.5","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C60 H42 -","- C60 H42 -","- C240 H168 -","4","1","","Han, Qingchuan; Su, Qiang; Tang, Lei; Feng, Jinwu; Lu, Ping; Wang, Yanguang","Electron Transfer and Aggregate Formation Coinduced Emission Enhancement of 9-Cycloheptatrienylidene Fluorenes in the Presence of Cupric Chloride","The Journal of Physical Chemistry C","2010","114","43","18702","","10.1021/jp1068126","","","0.71073","MoKα","","0.1416","0.0769","","","0.2229","0.2448","","","","","","1.052","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502736","6.1987","0.0015","16.054","0.003","20.033","0.003","90","","90","","90","","1993.6","0.7","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Jaworska, Magdalena; Hrynczyszyn, Paweł B; Wełniak, Mirosław; Wojtczak, Andrzej; Nowicka, Katarzyna; Krasiński, Grzegorz; Kassassir, Hassan; Ciesielski, Włodzimierz; Potrzebowski, Marek J.","Solid state NMR spectroscopy as a precise tool for assigning the tautomeric form and proton position in the intramolecular bridges of o-hydroxy Schiff bases.","The journal of physical chemistry. A","2010","114","47","12522","12530","10.1021/jp108104g","","","0.71073","MoKα","","0.119","0.0724","","","0.1514","0.1771","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502737","11.414","0.002","8.499","0.002","11.529","0.002","90","","115.28","0.03","90","","1011.3","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C48 H50 N2 O6 -","2","1","","Jaworska, Magdalena; Hrynczyszyn, Paweł B; Wełniak, Mirosław; Wojtczak, Andrzej; Nowicka, Katarzyna; Krasiński, Grzegorz; Kassassir, Hassan; Ciesielski, Włodzimierz; Potrzebowski, Marek J.","Solid state NMR spectroscopy as a precise tool for assigning the tautomeric form and proton position in the intramolecular bridges of o-hydroxy Schiff bases.","The journal of physical chemistry. A","2010","114","47","12522","12530","10.1021/jp108104g","","","0.71073","MoKα","","0.1093","0.0591","","","0.1072","0.1281","","","","","","0.957","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1502738","9.4565","0.0002","11.8283","0.0003","11.8421","0.0003","73.341","0.002","67.179","0.001","76.833","0.001","1159.42","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","2-{(E)-2-[4-(dimethylamino)phenyl]vinyl}-3-methyl-6-nitrobenzothiazol-3-ium hexafluorophosphate","","- C21 H24 F6 N3 O3 P S -","- C21 H24 F6 N3 O3 P S -","- C42 H48 F12 N6 O6 P2 S2 -","2","1","","Hrobárik, Peter; Sigmundová, Ivica; Zahradník, Pavol; Kasák, Peter; Arion, Vladimir; Franz, Edith; Clays, Koen","Molecular Engineering of Benzothiazolium Salts with Large Quadratic Hyperpolarizabilities: Can Auxiliary Electron-Withdrawing Groups Enhance Nonlinear Optical Responses?","The Journal of Physical Chemistry C","2010","114","50","22289","","10.1021/jp108623d","","","0.71073","MoKα","","0.0456","0.0334","","","0.0821","0.0866","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502739","7.4672","0.0001","16.4731","0.0002","13.7414","0.0001","90","","103.927","0.001","90","","1640.61","0.03","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 Fe3 O11 -","- C12 H4 Fe3 O11 -","- C48 H16 Fe12 O44 -","4","1","","Farrugia, Louis J.; Senn, Hans Martin","Metal-metal and metal-ligand bonding at a QTAIM catastrophe: a combined experimental and theoretical charge density study on the alkylidyne cluster Fe3(μ-H)(μ-COMe)(CO)10.","The journal of physical chemistry. A","2010","114","51","13418","13433","10.1021/jp1098624","","x-ray","0.71073","MoKα","","0.036","0.026","","","0.0588","0.0614","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502740","7.4672","0.0001","16.4731","0.0002","13.7414","0.0001","90","","103.927","0.001","90","","1640.61","0.03","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 Fe3 O11 -","- C12 H4 Fe3 O11 -","- C48 H16 Fe12 O44 -","4","1","","Farrugia, Louis J.; Senn, Hans Martin","Metal-metal and metal-ligand bonding at a QTAIM catastrophe: a combined experimental and theoretical charge density study on the alkylidyne cluster Fe3(μ-H)(μ-COMe)(CO)10.","The journal of physical chemistry. A","2010","114","51","13418","13433","10.1021/jp1098624","","x-ray","0.71073","MoKα","","0.035","0.02","","","","0.016","","","","","","1.412","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502741","7.088","0.002","7.22","0.002","9.14","0.002","92.55","0.02","106.95","0.01","110.32","0.02","414","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2-chloro-(quinolin-3-yl) methanol","","","- C10 H8 Cl N O -","- C10 H8 Cl N O -","- C20 H16 Cl2 N2 O2 -","2","1","","Hathwar, Venkatesha R.; Guru Row, Tayur N.","Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry.","The journal of physical chemistry. A","2010","114","51","13434","13441","10.1021/jp1100413","","x-ray","0.71073","MoKα","","0.0168","0.0109","","","","0.0299","0.0168","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502742","23.1021","0.0008","25.1758","0.0009","3.7363","0.0001","90","","90","","90","","2173.08","0.12","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","2-chloro-3-hydroxy pyridine","","","- C5 H4 Cl N O -","- C5 H4 Cl N O -","- C80 H64 Cl16 N16 O16 -","16","1","","Hathwar, Venkatesha R.; Guru Row, Tayur N.","Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry.","The journal of physical chemistry. A","2010","114","51","13434","13441","10.1021/jp1100413","","x-ray","0.71073","MoKα","","0.0189","0.0152","","","","0.0365","0.0189","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502743","14.98","0.002","4.5662","0.0007","14.858","0.002","90","","94.87","0.01","90","","1012.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-chloro-3-(chloromethyl)-8-methylquinoline","","","- C11 H9 Cl2 N -","- C11 H9 Cl2 N -","- C44 H36 Cl8 N4 -","4","1","","Hathwar, Venkatesha R.; Guru Row, Tayur N.","Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry.","The journal of physical chemistry. A","2010","114","51","13434","13441","10.1021/jp1100413","","x-ray","0.71073","MoKα","","0.0249","0.0202","","","","0.037","0.0249","","","","","1.165","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502744","12.8954","0.001","5.5486","0.0004","20.0322","0.0015","90","","106.472","0.002","90","","1374.51","0.18","147","2","147","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C20 H14 O -","- C20 H14 O -","- C80 H56 O4 -","4","1","","Schwerin, Andrew F.; Johnson, Justin C.; Smith, Millicent B.; Sreearunothai, Paiboon; Popović, Duska; Cerný, Jirí; Havlas, Zdenek; Paci, Irina; Akdag, Akin; MacLeod, Matthew K.; Chen, Xudong; David, Donald E.; Ratner, Mark A.; Miller, John R.; Nozik, Arthur J.; Michl, Josef","Toward designed singlet fission: electronic states and photophysics of 1,3-diphenylisobenzofuran.","The journal of physical chemistry. A","2010","114","3","1457","1473","10.1021/jp907401t","","","0.71073","MoKα","","0.1113","0.0646","","","0.1499","0.1712","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502745","19.3408","0.0018","3.8902","0.0004","20.212","0.0019","90","","90.594","0.002","90","","1520.7","0.3","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C72 H56 N8 O16 -","4","1","","Sonoda, Yoriko; Tsuzuki, Seiji; Goto, Midori; Tohnai, Norimitsu; Yoshida, Masaru","Fluorescence spectroscopic properties of nitro-substituted diphenylpolyenes: effects of intramolecular planarization and intermolecular interactions in crystals.","The journal of physical chemistry. A","2010","114","1","172","182","10.1021/jp907441p","","","0.71073","MoKα","","0.0505","0.0444","","","0.1347","0.1416","","","","","","0.929","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502746","6.3063","0.001","10.8492","0.0017","12.374","0.002","107.847","0.003","98.976","0.003","103.827","0.003","758.1","0.2","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C36 H28 N4 O8 -","2","1","","Sonoda, Yoriko; Tsuzuki, Seiji; Goto, Midori; Tohnai, Norimitsu; Yoshida, Masaru","Fluorescence spectroscopic properties of nitro-substituted diphenylpolyenes: effects of intramolecular planarization and intermolecular interactions in crystals.","The journal of physical chemistry. A","2010","114","1","172","182","10.1021/jp907441p","","","0.71073","MoKα","","0.0661","0.0482","","","0.1258","0.1394","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502747","7.0295","0.0001","8.7268","0.0001","12.5523","0.0002","73.754","0.001","81.99","0.001","78.751","0.001","722.127","0.018","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C30 H30 N6 O8 -","2","1","","Ghosh, Kumaresh; Sen, Tanushree; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula","trans-Pyridyl and naphthyridyl cinnamides as alternatives for urea in complexation of carboxylic acid and formation of water-templated assemblies in the solid state.","The journal of physical chemistry. B","2010","114","1","321","329","10.1021/jp907521j","","","1.54178","CuKα","","0.0447","0.0433","","","0.1206","0.1221","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502748","12.7765","0.0007","18.7383","0.0009","6.5565","0.0004","90","","99.574","0.002","90","","1547.83","0.15","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Ghosh, Kumaresh; Sen, Tanushree; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula","trans-Pyridyl and naphthyridyl cinnamides as alternatives for urea in complexation of carboxylic acid and formation of water-templated assemblies in the solid state.","The journal of physical chemistry. B","2010","114","1","321","329","10.1021/jp907521j","","","1.54178","CuKα","","0.0574","0.0555","","","0.1393","0.1401","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502749","13.345","0.001","14.802","0.001","10.621","0.001","90","","101.17","0.01","90","","2058.3","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C96 H88 N8 O12 -","4","1","","Ghosh, Kumaresh; Sen, Tanushree; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula","trans-Pyridyl and naphthyridyl cinnamides as alternatives for urea in complexation of carboxylic acid and formation of water-templated assemblies in the solid state.","The journal of physical chemistry. B","2010","114","1","321","329","10.1021/jp907521j","","","1.54178","CuKα","","0.0412","0.0389","","","0.1033","0.1055","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502750","21.027","0.006","5.4802","0.0011","23.594","0.006","90","","111.274","0.008","90","","2533.5","1.1","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 F6 N2 O7 S6 -","- C18 H14 F6 N2 O7 S6 -","- C72 H56 F24 N8 O28 S24 -","4","0.5","","Zhu, Qin-Yu; Huo, Li-Bin; Qin, Yu-Rong; Zhang, Ya-Ping; Lu, Zhe-Jun; Wang, Jin-Po; Dai, Jie","Triadic intramolecular charge transfer compound of tetrathiafulvalene exhibiting multicolor solvatochromism.","The journal of physical chemistry. B","2010","114","1","361","367","10.1021/jp908399r","","","0.71075","MoKα","","0.1108","0.081","","","0.1816","0.204","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502751","8.04668","0.00025","9.35578","0.0002","11.91507","0.00022","102.436","0.0019","103.177","0.0031","98.6481","0.0025","833.92","0.04","293","","","","","","","","","","","4","P -1","-P 1","2","Acrinol anhydrous form I","","","- C18 H21 N3 O4 -","- C18 H21 N3 O4 -","- C36 H42 N6 O8 -","2","1","","Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Hasegawa, Gen; Yonemochi, Etsuo; Terada, Katsuhide; Pan, Zhigang; Harris, Kenneth D. M.","Physicochemical Understanding of Polymorphism and Solid-State Dehydration/Rehydration Processes for the Pharmaceutical Material Acrinol, by Ab Initio Powder X-ray Diffraction Analysis and Other Techniques","The Journal of Physical Chemistry C","2010","114","1","580","","10.1021/jp908636t","powder diffraction","x-ray","1.19712","","","","","","","","","0.0842","","3.45","","","","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502752","14.0496","0.0005","11.80399","0.00019","20.9323","0.0008","90","","100.936","0.0033","90","","3408.4","0.19","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Acrinol anhydrous form II","","","- C18 H21 N3 O4 -","- C18 H21 N3 O4 -","- C144 H168 N24 O32 -","8","1","","Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Hasegawa, Gen; Yonemochi, Etsuo; Terada, Katsuhide; Pan, Zhigang; Harris, Kenneth D. M.","Physicochemical Understanding of Polymorphism and Solid-State Dehydration/Rehydration Processes for the Pharmaceutical Material Acrinol, by Ab Initio Powder X-ray Diffraction Analysis and Other Techniques","The Journal of Physical Chemistry C","2010","114","1","580","","10.1021/jp908636t","powder diffraction","x-ray","1.5406","","","","","","","","","0.08533","","3.61","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502753","12.5499","0.0005","14.0994","0.0006","14.8676","0.0006","88.659","0.001","71.166","0.001","80.833","0.001","2457","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H55 N3 O2 S2 -","- C60 H55 N3 O2 S2 -","- C120 H110 N6 O4 S4 -","2","1","","Balaji, Ganapathy; Parameswaran, Manoj; Jin, Tan Mein; Vijila, Chellappan; Furong, Zhu; Valiyaveettil, Suresh","Synthesis and Hole-Transporting Properties of Highly FluorescentN-Aryl Dithieno[3,2-b:2′,3′-d]pyrrole-Based Oligomers","The Journal of Physical Chemistry C","2010","114","10","4628","","10.1021/jp909064n","","","0.71073","MoKα","","0.0847","0.0714","","","0.1847","0.1942","","","","","","1.093","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502754","13.223","0.009","4.161","0.003","19.785","0.014","90","","96.339","0.01","90","","1081.9","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6-diiodothieno[3,3-b:2',3'-d]thiophene","","- C8 H2 I2 S3 -","- C8 H2 I2 S3 -","- C32 H8 I8 S12 -","4","1","","Sánchez-Carrera, Roel S; Odom, Susan A.; Kinnibrugh, Tiffany L.; Sajoto, Tissa; Kim, Eung-Gun; Timofeeva, Tatiana V.; Barlow, Stephen; Coropceanu, Veaceslav; Marder, Seth R.; Brédas, Jean-Luc","Electronic properties of the 2,6-diiododithieno[3,2-b:2',3'-d]thiophene molecule and crystal: a joint experimental and theoretical study.","The journal of physical chemistry. B","2010","114","2","749","755","10.1021/jp909164w","","","0.71073","MoKα","","0.0939","0.0635","","","0.1397","0.1521","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502755","8.7992","0.0001","8.8626","0.0001","13.2711","0.0002","101.683","0.001","91.357","0.001","111.848","0.001","935.09","0.02","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 N4 O2 -","- C22 H14 N4 O2 -","- C44 H28 N8 O4 -","2","1","","Yang, Chih-Chiang; Hsu, Chia-Jung; Chou, Pi-Tai; Cheng, Hsu Chun; Su, Yuhlong Oliver; Leung, Man-kit","Excited state luminescence of multi-(5-phenyl-1,3,4-oxadiazo-2-yl)benzenes in an electron-donating matrix: exciplex or electroplex?","The journal of physical chemistry. B","2010","114","2","756","768","10.1021/jp9093063","","","0.71073","MoKα","","0.0655","0.0427","","","0.1073","0.124","","","","","","1.076","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502756","5.404","0.0001","16.068","0.0003","20.4562","0.0004","90","","90","","90","","1776.24","0.06","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H14 N4 O2 -","- C22 H14 N4 O2 -","- C88 H56 N16 O8 -","4","1","","Yang, Chih-Chiang; Hsu, Chia-Jung; Chou, Pi-Tai; Cheng, Hsu Chun; Su, Yuhlong Oliver; Leung, Man-kit","Excited state luminescence of multi-(5-phenyl-1,3,4-oxadiazo-2-yl)benzenes in an electron-donating matrix: exciplex or electroplex?","The journal of physical chemistry. B","2010","114","2","756","768","10.1021/jp9093063","","","0.71073","MoKα","","0.073","0.0518","","","0.1328","0.152","","","","","","1.119","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502757","3.89","0.0008","9.37","0.0019","29.06","0.006","90","","90.64","0.03","90","","1059.2","0.4","270","2","270","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","","Moré, René; Busse, Gerhard; Hallmann, Jörg; Paulmann, Carsten; Scholz, Mirko; Techert, Simone","Photodimerization of Crystalline 9-Anthracenecarboxylic Acid: A Nontopotactic Autocatalytic Transformation","The Journal of Physical Chemistry C","2010","114","9","4142","","10.1021/jp909513v","","","0.6","synchrotronradiation","","0.0492","0.0388","","","0.1017","0.108","","","","","","1.044","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502758","3.9","0.0008","9.37","0.0019","29.07","0.006","90","","90.64","0.03","90","","1062.2","0.4","270","2","270","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","","Moré, René; Busse, Gerhard; Hallmann, Jörg; Paulmann, Carsten; Scholz, Mirko; Techert, Simone","Photodimerization of Crystalline 9-Anthracenecarboxylic Acid: A Nontopotactic Autocatalytic Transformation","The Journal of Physical Chemistry C","2010","114","9","4142","","10.1021/jp909513v","","","0.6","synchrotronradiation","","0.0608","0.0471","","","0.1269","0.1355","","","","","","1.105","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502759","16.5638","0.0003","7.514","0.0001","20.8421","0.0004","90","","99.4965","0.0013","90","","2558.47","0.08","93.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O2 S -","- C15 H12 O2 S -","- C120 H96 O16 S8 -","8","2","","Usman, Anwar; Asahi, Tsuyoshi; Sugiyama, Teruki; Masuhara, Hiroshi; Tohnai, Norimitsu; Miyata, Mikiji","Photochemical reaction of p-hydroxycinnamic-thiophenyl ester in the microcrystalline state.","The journal of physical chemistry. B","2010","114","45","14233","14240","10.1021/jp909850r","","","1.54187","CuKα","","","0.0651","","","","0.1915","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502760","11.408","0.002","25.189","0.005","28.093","0.005","90","","90","","90","","8073","3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C47 H49 N3 -","- C46.7 H48.1 N3 -","- C373.6 H384.8 N24 -","8","1","","Suwa, Kazuya; Otsuki, Joe; Goto, Kei","Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines.","The journal of physical chemistry. A","2010","114","2","884","890","10.1021/jp909922y","","","0.71075","MoKα","","0.1313","0.099","","","0.186","0.2174","","","","","","1.171","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502761","11.4828","0.0014","12.8037","0.0016","17.557","0.002","103.938","0.0017","103.837","0.0008","98.1698","0.0014","2377.3","0.5","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C61 H61 N3 -","- C61 H61 N3 -","- C122 H122 N6 -","2","1","","Suwa, Kazuya; Otsuki, Joe; Goto, Kei","Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines.","The journal of physical chemistry. A","2010","114","2","884","890","10.1021/jp909922y","","","0.71075","MoKα","","0.0627","0.0522","","","0.1261","0.1353","","","","","","0.923","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502762","13.967","0.008","17.661","0.009","20.091","0.011","95.541","0.009","99.166","0.009","96.727","0.009","4825","5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H61 N3 O -","- C59.96 H61 N3 O -","- C239.84 H244 N12 O4 -","4","2","","Suwa, Kazuya; Otsuki, Joe; Goto, Kei","Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines.","The journal of physical chemistry. A","2010","114","2","884","890","10.1021/jp909922y","","","0.7107","MoKα","","0.0875","0.066","","","0.1563","0.1747","","","","","","1.116","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502763","8.239","0.0006","11.075","0.0008","13.52","0.0008","103.205","0.004","106.017","0.002","105.297","0.006","1081.7","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Cl2 N3 O3 -","- C22 H21 Cl2 N3 O3 -","- C44 H42 Cl4 N6 O6 -","2","1","","Das, Amrita; Jana, Atish Dipankar; Seth, Saikat Kumar; Dey, Biswajit; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata; Singh, N. Jiten; Hwang, In-Chul; Kim, Kwang S.","Intriguing pi(+)-pi Interaction in crystal packing.","The journal of physical chemistry. B","2010","114","12","4166","4170","10.1021/jp910129u","","","0.71073","MoKα","","0.0579","0.0537","","","0.1605","0.1649","","","","","","1.103","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502764","8.2416","0.001","11.2464","0.0014","13.9496","0.0019","104.279","0.008","106.169","0.01","105.466","0.011","1122.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Br2 N3 O3 -","- C22 H23 Br2 N3 O3 -","- C44 H46 Br4 N6 O6 -","2","1","","Das, Amrita; Jana, Atish Dipankar; Seth, Saikat Kumar; Dey, Biswajit; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata; Singh, N. Jiten; Hwang, In-Chul; Kim, Kwang S.","Intriguing pi(+)-pi Interaction in crystal packing.","The journal of physical chemistry. B","2010","114","12","4166","4170","10.1021/jp910129u","","","0.71073","MoKα","","0.0771","0.0496","","","0.1156","0.1261","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502765","16.698","0.003","10.5516","0.0019","16.706","0.003","90","","98.437","0.002","90","","2911.6","0.9","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 O2 -","- C40 H28 O2 -","- C160 H112 O8 -","4","0.5","","Wang, Weizhi; Lin, Tingting; Wang, Min; Liu, Tian-Xi; Ren, Lulu; Chen, Dan; Huang, Shu","Aggregation emission properties of oligomers based on tetraphenylethylene.","The journal of physical chemistry. B","2010","114","18","5983","5988","10.1021/jp911311j","","","0.71073","MoKα","","0.0527","0.0381","","","0.0939","0.1029","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502766","10.9819","0.0004","12.2293","0.0004","15.9624","0.0007","78.216","0.002","85.799","0.002","72.961","0.002","2006.26","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H36 O4 -","- C54 H36 O4 -","- C108 H72 O8 -","2","1","","Wang, Weizhi; Lin, Tingting; Wang, Min; Liu, Tian-Xi; Ren, Lulu; Chen, Dan; Huang, Shu","Aggregation emission properties of oligomers based on tetraphenylethylene.","The journal of physical chemistry. B","2010","114","18","5983","5988","10.1021/jp911311j","","","0.71073","MoKα","","0.0791","0.0481","","","0.1139","0.1292","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502767","18.382","0.004","5.7303","0.0011","25.034","0.005","90","","92.7","0.03","90","","2634","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 N4 O -","- C34 H30 N4 O -","- C136 H120 N16 O4 -","4","1","","Xu, Jialiang; Zheng, Haiyan; Liu, Huibiao; Zhou, Chunjie; Zhao, Yingjie; Li, Yongjun; Li, Yuliang","Crystal Hierarchical Supramolecular Architectures from 1-D Precursor Single-Crystal Seeds","The Journal of Physical Chemistry C","2010","114","7","2925","","10.1021/jp911595m","","","0.71073","MoKα","","0.1874","0.1456","","","0.2172","0.2359","","","","","","1.305","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502768","7.146","0.0009","11.1812","0.0014","11.602","0.0014","88.373","0.002","81.837","0.002","74.342","0.002","883.52","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 Cl2 Mg N8 O18 -","- C26 H36 Cl2 Mg N8 O18 -","- C26 H36 Cl2 Mg N8 O18 -","1","0.5","","Das, Amrita; Choudhury, Somnath Ray; Dey, Biswajit; Yalamanchili, Sampath Kumar; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata; Estarellas, Carolina; Frontera, Antonio","Supramolecular assembly of Mg(II) complexes directed by associative lone pair-pi/pi-pi/pi-anion-pi/pi-lone pair interactions.","The journal of physical chemistry. B","2010","114","15","4998","5009","10.1021/jp911884x","","","0.71073","MoKα","","0.0487","0.0443","","","0.1079","0.1109","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502769","7.534","0.003","9.052","0.004","10.428","0.004","93.37","0.008","93.118","0.008","112.237","0.007","654.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 Mg N4 O14 -","- C18 H34 Mg N4 O14 -","- C18 H34 Mg N4 O14 -","1","0.5","","Das, Amrita; Choudhury, Somnath Ray; Dey, Biswajit; Yalamanchili, Sampath Kumar; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata; Estarellas, Carolina; Frontera, Antonio","Supramolecular assembly of Mg(II) complexes directed by associative lone pair-pi/pi-pi/pi-anion-pi/pi-lone pair interactions.","The journal of physical chemistry. B","2010","114","15","4998","5009","10.1021/jp911884x","","","0.71073","MoKα","","0.072","0.0529","","","0.1298","0.1388","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502770","8.628","0.0003","14.8751","0.0005","17.4444","0.0006","90","","90","","90","","2238.86","0.13","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H17 I2 N O2 S2 -","- C23 H17 I2 N O2 S2 -","- C92 H68 I8 N4 O8 S8 -","4","1","","Song, Changsik; Walker, D. Barney; Swager, Timothy M.","Conducting Thiophene-Annulated Azepine Polymers","Macromolecules","2010","43","12","5233","","10.1021/ma100549w","","","0.71073","MoKα","","0.0195","0.0191","","","0.0525","0.0527","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502771","8.9304","0.0013","10.2803","0.0015","10.9208","0.0018","107.466","0.004","90.523","0.004","104.484","0.003","922.1","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 B N O -","- C25 H18 B N O -","- C50 H36 B2 N2 O2 -","2","1","","Tokoro, Yuichiro; Nagai, Atsushi; Chujo, Yoshiki","Synthesis of π-Conjugated Polymers Containing Organoboron Benzo[h]quinolate in the Main Chain","Macromolecules","2010","43","14","6229","","10.1021/ma100814v","","","0.71075","MoKα","","0.1189","0.0676","","","0.1534","0.1908","","","","","","0.951","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502772","17.0896","0.0004","7.5023","0.0001","16.288","0.0003","90","","100.417","0.001","90","","2053.89","0.07","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O S2 -","- C26 H20 N2 O S2 -","- C104 H80 N8 O4 S8 -","4","1","","Häussler, Matthias; Lok, Y. Phei; Chen, Ming; Jasieniak, Jacek; Adhikari, Raju; King, Simon P.; Haque, Saif A.; Forsyth, Craig M.; Winzenberg, Kevin; Watkins, Scott E.; Rizzardo, Ezio; Wilson, Gerard J.","Benzothiadiazole-Containing Pendant Polymers Prepared by RAFT and Their Electro-Optical Properties","Macromolecules","2010","43","17","7101","","10.1021/ma1008572","","","0.71073","MoKα","","0.1042","0.0564","","","0.1281","0.1522","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502773","13.032","0.004","14.817","0.005","17.543","0.006","90","","90","","90","","3387.5","1.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H53 Mg N3 O2 Si2 -","- C30 H53 Mg N3 O2 Si2 -","- C120 H212 Mg4 N12 O8 Si8 -","4","1","","Wang, Liying; Ma, Haiyan","Highly Active Magnesium Initiators for Ring-Opening Polymerization ofrac-Lactide","Macromolecules","2010","43","16","6535","","10.1021/ma101263g","","","0.71073","MoKα","","0.1103","0.0463","","","0.0633","0.0735","","","","","","0.744","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502774","9.1654","0.0008","17.1904","0.0015","21.4248","0.0019","106.018","0.002","97.63","0.002","97.011","0.002","3170.9","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H52 N2 Zr -","- C32 H52 N2 Zr -","- C128 H208 N8 Zr4 -","4","2","","Kuhlman, Roger L.; Klosin, Jerzy","Tuning Block Compositions of Polyethylene Multi-Block Copolymers by Catalyst Selection","Macromolecules","2010","43","19","7903","","10.1021/ma101544n","","","0.71073","MoKα","","0.0783","0.0533","","","0.1236","0.1392","","","","","","1.019","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502775","9.1512","0.0004","17.1942","0.0007","21.2757","0.0009","105.558","0.001","97.417","0.001","96.995","0.001","3154.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H52 Hf N2 -","- C32 H52 Hf N2 -","- C128 H208 Hf4 N8 -","4","2","","Kuhlman, Roger L.; Klosin, Jerzy","Tuning Block Compositions of Polyethylene Multi-Block Copolymers by Catalyst Selection","Macromolecules","2010","43","19","7903","","10.1021/ma101544n","","","0.71073","MoKα","","0.0521","0.0416","","","0.0955","0.1013","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502776","17.7939","0.0019","9.7642","0.001","17.6714","0.0019","90","","99.741","0.002","90","","3026","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H52 Hf N2 -","- C28 H52 Hf N2 -","- C112 H208 Hf4 N8 -","4","1","","Kuhlman, Roger L.; Klosin, Jerzy","Tuning Block Compositions of Polyethylene Multi-Block Copolymers by Catalyst Selection","Macromolecules","2010","43","19","7903","","10.1021/ma101544n","","","0.71073","MoKα","","0.0621","0.0407","","","0.1024","0.1223","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502777","28.29","0.03","29.3","0.03","8.01","0.008","90","","90","","90","","6639","12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C57 H116 O40 -","- C42 H49 O35 -","- C168 H196 O140 -","4","1","","Nishiyama, Yoshiharu; Mazeau, Karim; Morin, Morgane; Cardoso, Mateus B.; Chanzy, Henri; Putaux, Jean-Luc","Molecular and Crystal Structure of 7-Fold V-Amylose Complexed with 2-Propanol","Macromolecules","2010","43","20","8628","","10.1021/ma101794w","","","0.02508","","","0.3641","0.3419","","","0.5942","0.6098","","","","","","99.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502778","10.084","0.002","14.552","0.004","24.36","0.006","90","","90","","90","","3574.6","1.5","293.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Br2 N2 Ni O2 -","- C20 H12 Br2 N2 Ni O2 -","- C160 H96 Br16 N16 Ni8 O16 -","8","1","","Fukumoto, Hiroki; Yamane, Kazuto; Kase, Yumiko; Yamamoto, Takakazu","π-Conjugated Poly(aryleneethynylene)s Consisting of Salophen and Ni−Salophen Units in the π-Conjugated Main Chain: Preparation and Chemical Properties","Macromolecules","2010","43","24","10366","","10.1021/ma101800f","","","0.7107","MoKα","","","0.0518","","","","0.0681","","","","","","0.838","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502779","11.081","0.002","25.643","0.005","12.99","0.003","90","","102.64","0.03","90","","3601.7","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H39 Br Ir N3 -","- C41 H39 Br Ir N3 -","- C164 H156 Br4 Ir4 N12 -","4","1","","Yan, Qifan; Yue, Kan; Yu, Chao; Zhao, Dahui","Oligo- and Polyfluorene-Tetheredfac-Ir(ppy)3: Substitution Effects","Macromolecules","2010","43","20","8479","","10.1021/ma101821z","","","0.71073","MoKα","","0.1253","0.0492","","","0.0671","0.0743","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502780","11.597","0.002","19.586","0.004","15.383","0.003","90","","100.67","0.03","90","","3433.7","1.2","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C41 H39 Br Ir N3 -","- C41 H39 Br Ir N3 -","- C164 H156 Br4 Ir4 N12 -","4","1","","Yan, Qifan; Yue, Kan; Yu, Chao; Zhao, Dahui","Oligo- and Polyfluorene-Tetheredfac-Ir(ppy)3: Substitution Effects","Macromolecules","2010","43","20","8479","","10.1021/ma101821z","","","0.71073","MoKα","","0.05","0.0426","","","0.1061","0.1086","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502781","11.015","0.002","25.825","0.005","12.846","0.003","90","","102.17","0.03","90","","3572.1","1.3","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 Br2 Ir N3 -","- C41 H38 Br2 Ir N3 -","- C164 H152 Br8 Ir4 N12 -","4","1","","Yan, Qifan; Yue, Kan; Yu, Chao; Zhao, Dahui","Oligo- and Polyfluorene-Tetheredfac-Ir(ppy)3: Substitution Effects","Macromolecules","2010","43","20","8479","","10.1021/ma101821z","","","0.71073","MoKα","","0.1399","0.0684","","","0.1432","0.1603","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502782","7.4515","0.0007","11.6557","0.0014","15.1935","0.0015","110.611","0.003","93.971","0.003","92.562","0.004","1228.8","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H17 B F2 I2 N2 -","- C29 H17 B F2 I2 N2 -","- C58 H34 B2 F4 I4 N4 -","2","1","","Nagai, Atsushi; Chujo, Yoshiki","Aromatic Ring-Fused BODIPY-Based Conjugated Polymers Exhibiting Narrow Near-Infrared Emission Bands","Macromolecules","2010","43","1","193","","10.1021/ma901449c","","","0.71075","MoKα","","0.0817","0.0586","","","0.1523","0.1729","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502783","12.4453","0.0004","13.3899","0.0004","16.7988","0.0005","107.042","0.003","91.713","0.003","115.539","0.003","2375","0.15","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H62 Si3 -","- C50 H62 Si3 -","- C100 H124 Si6 -","2","1","","Liu, Jianzhao; Zhong, Yongchun; Lam, Jacky W. Y.; Lu, Ping; Hong, Yuning; Yu, Yong; Yue, Yanan; Faisal, Mahtab; Sung, Herman H. Y.; Williams, Ian D.; Wong, Kam Sing; Tang, Ben Zhong","Hyperbranched Conjugated Polysiloles: Synthesis, Structure, Aggregation-Enhanced Emission, Multicolor Fluorescent Photopatterning, and Superamplified Detection of Explosives","Macromolecules","2010","43","11","4921","","10.1021/ma902432m","","","1.54178","CuKα","","0.0657","0.0566","","","0.1488","0.1573","","","","","","1.007","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502784","14.532","0.003","16.824","0.003","17.536","0.004","64.33","0.03","89.93","0.03","71.81","0.03","3625.8","1.9","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H57 B Cl2 F20 N2 Ni O2 -","- C78 H57 B Cl2 F20 N2 Ni O2 -","- C156 H114 B2 Cl4 F40 N4 Ni2 O4 -","2","1","","Wegner, Marcus M.; Ott, Anna K.; Rieger, Bernhard","Gas Phase Polymerization of Ethylene with Supported α-Diimine Nickel(II) Catalysts","Macromolecules","2010","43","8","3624","","10.1021/ma9025256","","","0.71073","MoKα","","0.1087","0.0538","","","0.1213","0.1387","","","","","","0.874","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502785","10.0735","0.0002","13.7187","0.0003","19.7827","0.0005","77.02","0.002","78.813","0.002","80.483","0.002","2592.12","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H74 Co3 N4 O10 -","- C49 H74 Co3 N4 O10 -","- C98 H148 Co6 N8 O20 -","2","1","","Kember, Michael R.; White, Andrew J. P.; Williams, Charlotte K.","Highly Active Di- and Trimetallic Cobalt Catalysts for the Copolymerization of CHO and CO2at Atmospheric Pressure","Macromolecules","2010","43","5","2291","","10.1021/ma902582m","","","0.71073","MoKα","","0.0734","0.044","","","0.113","0.1183","","","","","","0.951","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502786","40.1077","0.0018","11.9548","0.0003","27.7661","0.0012","90","","128.183","0.007","90","","10464.8","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H86 Co2 N4 O9 -","- C49 H86 Co2 N4 O9 -","- C392 H688 Co16 N32 O72 -","8","1","","Kember, Michael R.; White, Andrew J. P.; Williams, Charlotte K.","Highly Active Di- and Trimetallic Cobalt Catalysts for the Copolymerization of CHO and CO2at Atmospheric Pressure","Macromolecules","2010","43","5","2291","","10.1021/ma902582m","","","1.54184","CuKα","","0.0542","0.044","","","0.128","0.1392","","","","","","1.089","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502787","15.597","0.003","18.542","0.003","11.201","0.002","90","","94.484","0.002","90","","3229.4","1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 B2 Ge O4 -","- C32 H48 B2 Ge O4 -","- C128 H192 B8 Ge4 O16 -","4","1","","Allard, Nicolas; Aïch, Réda Badrou; Gendron, David; Boudreault, Pierre-Luc T.; Tessier, Christian; Alem, Salima; Tse, Shing-Chi; Tao, Ye; Leclerc, Mario","Germafluorenes: New Heterocycles for Plastic Electronics","Macromolecules","2010","43","5","2328","","10.1021/ma9025866","","","0.71073","MoKα","","0.1024","0.0535","","","0.1266","0.1484","","","","","","1.083","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502788","19.72","0.012","19.029","0.011","10.873","0.007","90","","94.88","0.009","90","","4065","4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 B2 Ge O4 -","- C40 H64 B2 Ge O4 -","- C160 H256 B8 Ge4 O16 -","4","1","","Allard, Nicolas; Aïch, Réda Badrou; Gendron, David; Boudreault, Pierre-Luc T.; Tessier, Christian; Alem, Salima; Tse, Shing-Chi; Tao, Ye; Leclerc, Mario","Germafluorenes: New Heterocycles for Plastic Electronics","Macromolecules","2010","43","5","2328","","10.1021/ma9025866","","","0.71073","MoKα","","0.1845","0.0647","","","0.1134","0.1539","","","","","","1.059","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502789","26.407","0.013","14.346","0.007","20.052","0.01","90","","96.115","0.007","90","","7553","6","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79 H104 Cl4 O2 Si2 Ti2 -","- C79 H104 Cl4 O2 Si2 Ti2 -","- C316 H416 Cl16 O8 Si8 Ti8 -","4","0.5","","Senda, Taichi; Hanaoka, Hidenori; Nakahara, Shinya; Oda, Yoshiaki; Tsurugi, Hayato; Mashima, Kazushi","Rational Design of Silicon-Bridged Fluorenyl−Phenoxy Group 4 Metal Complexes as Catalysts for Producing High Molecular Weight Copolymers of Ethylene and 1-Hexene at Elevated Temperature","Macromolecules","2010","43","5","2299","","10.1021/ma902700v","","","0.71075","MoKα","","0.1258","0.0808","","","0.1999","0.2475","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502790","9.23","0.002","10.5413","0.0019","15.742","0.003","96.051","0.005","97.568","0.011","95.234","0.009","1501.2","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H44 O Si -","- C34 H44 O Si -","- C68 H88 O2 Si2 -","2","1","","Senda, Taichi; Hanaoka, Hidenori; Nakahara, Shinya; Oda, Yoshiaki; Tsurugi, Hayato; Mashima, Kazushi","Rational Design of Silicon-Bridged Fluorenyl−Phenoxy Group 4 Metal Complexes as Catalysts for Producing High Molecular Weight Copolymers of Ethylene and 1-Hexene at Elevated Temperature","Macromolecules","2010","43","5","2299","","10.1021/ma902700v","","","0.71075","MoKα","","0.0663","0.0529","","","0.1357","0.1461","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502791","8.032","0.003","8.278","0.003","11.532","0.004","90","","99.19","0.03","90","","756.9","0.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O6 -","- C17 H18 O6 -","- C34 H36 O12 -","2","1","","Chou, Tsung-Hsien; Chen, Jih-Jung; Lee, Shiow-Ju; Chiang, Michael Y.; Yang, Cheng-Wei; Chen, Ih-Sheng","Cytotoxic flavonoids from the leaves of Cryptocarya chinensis.","Journal of natural products","2010","73","9","1470","1475","10.1021/np100014j","","","0.71073","MoKα","","0.0497","0.0335","","","0.0926","0.1012","","","","","","1.116","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502792","5.7411","0.0011","9.4947","0.0019","24.665","0.005","90","","90","","90","","1344.5","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","1","","Lin, Jie; Liu, Shuchun; Sun, Bingda; Niu, Shubin; Li, Erwei; Liu, Xingzhong; Che, Yongsheng","Polyketides from the ascomycete fungus Leptosphaeria sp.","Journal of natural products","2010","73","5","905","910","10.1021/np1000335","","","0.71073","MoKα","","0.0455","0.0441","","","0.1084","0.1094","","","","","","1.098","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502793","23.345","0.005","10.44","0.002","17.519","0.004","90","","123.19","0.03","90","","3573.2","1.8","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C160 H240 O24 -","8","1","","Zou, Guo-An; Ding, Gang; Su, Zhi-Heng; Yang, Jun-Shan; Zhang, Hone-Wu; Peng, Chao-Zhong; Aisa, Haiji Akber; Zou, Zhong-Mei","Lactonecembranoids from Croton laevigatus.","Journal of natural products","2010","73","4","792","795","10.1021/np100044t","","","0.71073","MoKα","","0.0647","0.0603","","","0.1425","0.1459","","","","","","1.1","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502794","9.1827","0.0005","18.1165","0.0013","18.6612","0.0008","90","","90","","90","","3104.4","0.3","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O13 -","- C30 H48 O13 -","- C120 H192 O52 -","4","1","","Cheng, Yuan-Bin; Liao, Tzu-Ching; Lo, Yi-Wen; Chen, Yu-Chen; Kuo, Yuh-Chi; Chen, Shun-Ying; Chien, Ching-Te; Hwang, Tsong-Long; Shen, Ya-Ching","Nortriterpene lactones from the fruits of Schisandra arisanensis.","Journal of natural products","2010","73","7","1228","1233","10.1021/np100048h","","","1.54178","CuKα","","0.0904","0.0634","","","0.1578","0.1742","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502795","8.797","0.0001","9.901","0.0001","15.9022","0.0002","90","","99.925","0.001","90","","1364.34","0.03","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H36 O11 -","- C29 H36 O11 -","- C58 H72 O22 -","2","1","","Cheng, Yuan-Bin; Liao, Tzu-Ching; Lo, Yi-Wen; Chen, Yu-Chen; Kuo, Yuh-Chi; Chen, Shun-Ying; Chien, Ching-Te; Hwang, Tsong-Long; Shen, Ya-Ching","Nortriterpene lactones from the fruits of Schisandra arisanensis.","Journal of natural products","2010","73","7","1228","1233","10.1021/np100048h","","","1.54178","CuKα","","0.037","0.0358","","","0.1077","0.1092","","","","","","0.995","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502796","9.7774","0.0014","10.7185","0.0016","17.521","0.003","90","","90.174","0.003","90","","1836.2","0.5","299","2","299","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","2","","Wei, Xiaomei; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G.","Dolabellane-type diterpenoids with antiprotozoan activity from a southwestern Caribbean gorgonian octocoral of the genus Eunicea.","Journal of natural products","2010","73","5","925","934","10.1021/np100074r","","","0.71073","MoKα","","0.0675","0.0418","","","0.0943","0.105","","","","","","0.977","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502797","8.2674","0.0017","8.6702","0.0018","12.79","0.003","90","","99.451","0.004","90","","904.3","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Wei, Xiaomei; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G.","Dolabellane-type diterpenoids with antiprotozoan activity from a southwestern Caribbean gorgonian octocoral of the genus Eunicea.","Journal of natural products","2010","73","5","925","934","10.1021/np100074r","","","0.71073","MoKα","","0.0618","0.0479","","","0.1168","0.1356","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502798","11.1485","0.0015","21.716","0.003","7.59","0.0011","90","","90","","90","","1837.5","0.4","299","2","299","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","","Wei, Xiaomei; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G.","Dolabellane-type diterpenoids with antiprotozoan activity from a southwestern Caribbean gorgonian octocoral of the genus Eunicea.","Journal of natural products","2010","73","5","925","934","10.1021/np100074r","","","0.71073","MoKα","","0.0541","0.0417","","","0.1008","0.1072","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502799","8.9941","0.0015","12.14","0.002","18.745","0.003","90","","90","","90","","2046.7","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C88 H128 O16 -","4","1","","Wei, Xiaomei; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G.","Dolabellane-type diterpenoids with antiprotozoan activity from a southwestern Caribbean gorgonian octocoral of the genus Eunicea.","Journal of natural products","2010","73","5","925","934","10.1021/np100074r","","","0.71073","MoKα","","0.1405","0.0656","","","0.13","0.146","","","","","","1.263","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502800","6.5869","0.0013","8.1866","0.0016","17.513","0.004","90","","95.2","0.03","90","","940.5","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O8 S3 -","- C18 H20 N2 O8 S3 -","- C36 H40 N4 O16 S6 -","2","1","","Wang, Jia-Ming; Ding, Guang-Zhi; Fang, Lei; Dai, Jun-Gui; Yu, Shi-Shan; Wang, Ying-Hong; Chen, Xiao-Guang; Ma, Shuang-Gang; Qu, Jing; Xu, Song; Du, Dan","Thiodiketopiperazines produced by the endophytic fungus Epicoccum nigrum.","Journal of natural products","2010","73","7","1240","1249","10.1021/np1000895","","","0.71073","MoKα","","0.0376","0.036","","","0.0799","0.081","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502801","10.823","0.002","8.2414","0.0016","11.223","0.002","90","","115.69","0.03","90","","902.1","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O5 S2 -","- C19 H20 N2 O5 S2 -","- C38 H40 N4 O10 S4 -","2","1","","Wang, Jia-Ming; Ding, Guang-Zhi; Fang, Lei; Dai, Jun-Gui; Yu, Shi-Shan; Wang, Ying-Hong; Chen, Xiao-Guang; Ma, Shuang-Gang; Qu, Jing; Xu, Song; Du, Dan","Thiodiketopiperazines produced by the endophytic fungus Epicoccum nigrum.","Journal of natural products","2010","73","7","1240","1249","10.1021/np1000895","","","0.71073","MoKα","","0.0387","0.0358","","","0.0808","0.0838","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502802","10.949","0.002","8.7488","0.0017","13.036","0.003","90","","99.22","0.03","90","","1232.6","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H34 N2 O10 S2 -","- C20 H34 N2 O10 S2 -","- C40 H68 N4 O20 S4 -","2","1","","Wang, Jia-Ming; Ding, Guang-Zhi; Fang, Lei; Dai, Jun-Gui; Yu, Shi-Shan; Wang, Ying-Hong; Chen, Xiao-Guang; Ma, Shuang-Gang; Qu, Jing; Xu, Song; Du, Dan","Thiodiketopiperazines produced by the endophytic fungus Epicoccum nigrum.","Journal of natural products","2010","73","7","1240","1249","10.1021/np1000895","","","1.54178","CuKα","","0.0418","0.0372","","","0.0955","0.0974","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502803","11.1427","0.0009","13.0004","0.001","28.073","0.002","90","","90.43","0.005","90","","4066.5","0.5","90","0.5","90","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","Compound 1","1,4-dihydroxy-3-((2R,3R,5S,6R)-6-((R)-1-methylypropyl)-3,5-dimethyltetrahydro- 2H-pyran-2-yl)-5-phenylpyridin-2(1H)-one","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C176 H232 N8 O32 -","8","4","","Kumarihamy, Mallika; Fronczek, Frank R.; Ferreira, Daneel; Jacob, Melissa; Khan, Shabana I.; Nanayakkara, N. P. Dhammika","Bioactive 1,4-dihydroxy-5-phenyl-2-pyridinone alkaloids from Septoria pistaciarum.","Journal of natural products","2010","73","7","1250","1253","10.1021/np1000939","","","1.54178","CuKα","","0.039","0.038","","","0.102","0.104","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502804","7.3526","0.0001","12.4749","0.0003","13.9626","0.0003","90","","90","","90","","1280.69","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H30 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Chokpaiboon, Supichar; Sommit, Damrong; Teerawatananond, Thapong; Muangsin, Nongnuj; Bunyapaiboonsri, Taridaporn; Pudhom, Khanitha","Cytotoxic nor-chamigrane and chamigrane endoperoxides from a basidiomycetous fungus.","Journal of natural products","2010","73","5","1005","1007","10.1021/np100103j","","","0.71073","MoKα","","0.0533","0.0422","","","0.1158","0.1274","","","","","","1.059","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502805","11.197","0.006","7.218","0.004","12.421","0.007","90","","99.841","0.011","90","","989.1","0.9","153","1","153","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H28 Cl N O6 -","- C20 H28 Cl N O6 -","- C40 H56 Cl2 N2 O12 -","2","1","","Zein, Ahmed L.; Dawe, Louise N.; Georghiou, Paris E.","Enantioselective total synthesis and X-ray structures of the tetrahydroprotoberberine alkaloids (-)-(S)-tetrahydropalmatrubine and (-)-(S)-corytenchine.","Journal of natural products","2010","73","8","1427","1430","10.1021/np1001169","","","0.71075","MoKα","","0.1105","0.0962","","","0.2503","0.2646","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502806","7.2621","0.0012","8.0445","0.0013","28.318","0.005","90","","90","","90","","1654.3","0.5","153","2","153","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","","Zein, Ahmed L.; Dawe, Louise N.; Georghiou, Paris E.","Enantioselective total synthesis and X-ray structures of the tetrahydroprotoberberine alkaloids (-)-(S)-tetrahydropalmatrubine and (-)-(S)-corytenchine.","Journal of natural products","2010","73","8","1427","1430","10.1021/np1001169","","","0.71075","MoKα","","0.0326","0.0325","","","0.0843","0.0844","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502807","9.5608","0.0014","9.5608","0.0014","14.687","0.003","90","","90","","120","","1162.7","0.3","293","2","293","2","","","","","","","","3","P 32","P 32","145","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C51 H60 O18 -","3","1","","Chen, Wen-Hao; Wang, Rui; Shi, Yan-Ping","Flavonoids in the poisonous plant Oxytropis falcata.","Journal of natural products","2010","73","8","1398","1403","10.1021/np100339u","","","0.71073","MoKα","","0.0522","0.0378","","","0.0768","0.0849","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502808","8.1004","0.0004","16.0763","0.0008","11.7961","0.0006","90","","99.64","0.001","90","","1514.45","0.13","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H40 O10 -","- C32 H40 O10 -","- C64 H80 O20 -","2","1","","Pan, Jian-Yu; Chen, Shi-Lin; Li, Min-Yi; Li, Jun; Yang, Mei-Hua; Wu, Jun","Limonoids from the Seeds of a Hainan Mangrove,Xylocarpus granatum","Journal of Natural Products","2010","73","10","1672","","10.1021/np100395w","","","0.71073","MoKα","","0.0364","0.0336","","","0.0892","0.0919","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502809","7.9418","0.0004","16.2706","0.0009","11.6249","0.0006","90","","96.814","0.001","90","","1491.53","0.14","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H40 O10 -","- C32 H40 O10 -","- C64 H80 O20 -","2","1","","Pan, Jian-Yu; Chen, Shi-Lin; Li, Min-Yi; Li, Jun; Yang, Mei-Hua; Wu, Jun","Limonoids from the Seeds of a Hainan Mangrove,Xylocarpus granatum","Journal of Natural Products","2010","73","10","1672","","10.1021/np100395w","","","0.71073","MoKα","","0.041","0.0352","","","0.0993","0.1041","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502810","10.0323","0.0004","10.9812","0.0005","22.4456","0.001","90","","90","","90","","2472.76","0.19","293","2","293","2","","","1013.25","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 O10 -","- C27 H36 O10 -","- C108 H144 O40 -","4","1","","Sarigaputi, Chanin; Nuanyai, Thanesuan; Teerawatananond, Thapong; Pengpreecha, Somchai; Muangsin, Nongnuj; Pudhom, Khanitha","Xylorumphiins A-D, mexicanolide limonoids from the seed kernels of Xylocarpus rumphii.","Journal of natural products","2010","73","8","1456","1459","10.1021/np100423w","","","0.71073","MoKα","","0.069","0.0428","","","0.0854","0.0933","","","","","","0.888","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502811","9.547","0.004","12.328","0.005","13.064","0.005","90","","90","","90","","1537.6","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cl O6 -","- C14 H19 Cl O6 -","- C56 H76 Cl4 O24 -","4","1","","Lin, Sheng; Shen, Yun-Heng; Zhang, Zhong-Xiao; Li, Hui-Liang; Shan, Lei; Liu, Run-Hui; Xu, Xi-Ke; Zhang, Wei-Dong","Revision of the Structures of 1,5-Dihydroxy-3,8-epoxyvalechlorine, Volvaltrate B, and Valeriotetrate C fromValeriana jatamansiandV. officinalis","Journal of Natural Products","2010","73","10","1723","","10.1021/np100426j","","","0.71073","MoKα","","0.0424","0.0376","","","0.0882","0.0905","","","","","","0.989","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502812","7.6054","0.0003","10.8888","0.0004","38.7397","0.0015","90","","90","","90","","3208.2","0.2","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 O3 -","- C18 H28 O3 -","- C144 H224 O24 -","8","2","","Hu, Wei-Min; Li, Min-Yi; Li, Jun; Xiao, Qiang; Feng, Gang; Wu, Jun","Dolabranes from the Chinese Mangrove,Ceriops tagal","Journal of Natural Products","2010","73","10","1701","","10.1021/np100484w","","","0.71073","MoKα","","0.0427","0.0385","","","0.0953","0.1018","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502813","10.9891","0.0007","21.7404","0.0013","12.9098","0.0008","90","","99.167","0.001","90","","3044.9","0.3","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H26 O2 -","- C18 H26 O2 -","- C144 H208 O16 -","8","4","","Hu, Wei-Min; Li, Min-Yi; Li, Jun; Xiao, Qiang; Feng, Gang; Wu, Jun","Dolabranes from the Chinese Mangrove,Ceriops tagal","Journal of Natural Products","2010","73","10","1701","","10.1021/np100484w","","","0.71073","MoKα","","0.0521","0.0406","","","0.0951","0.1013","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502814","7.8037","0.0001","11.7086","0.0002","18.3534","0.0003","90","","90","","90","","1676.96","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Alstolucine B","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","1","","Tan, Shin-Jowl; Low, Yun-Yee; Choo, Yeun-Mun; Abdullah, Zanariah; Etoh, Tadahiro; Hayashi, Masahiko; Komiyama, Kanki; Kam, Toh-Seok","Strychnan and secoangustilobine A type alkaloids from Alstonia spatulata. Revision of the C-20 configuration of scholaricine.","Journal of natural products","2010","73","11","1891","1897","10.1021/np100552b","","","0.71073","MoKα","","0.0384","0.035","","","0.0917","0.0941","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502815","10.4901","0.0003","18.5736","0.0005","21.1075","0.0005","90","","90","","90","","4112.56","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Scholaricine","","","- C44 H58 N4 O11 -","- C44 H58 N4 O11 -","- C176 H232 N16 O44 -","4","1","","Tan, Shin-Jowl; Low, Yun-Yee; Choo, Yeun-Mun; Abdullah, Zanariah; Etoh, Tadahiro; Hayashi, Masahiko; Komiyama, Kanki; Kam, Toh-Seok","Strychnan and secoangustilobine A type alkaloids from Alstonia spatulata. Revision of the C-20 configuration of scholaricine.","Journal of natural products","2010","73","11","1891","1897","10.1021/np100552b","","","0.71073","MoKα","","0.0839","0.0592","","","0.1509","0.1641","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502816","6.9503","0.0002","16.4718","0.0004","8.2909","0.0002","90","","102.266","0.001","90","","927.51","0.04","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Altechromone A","5-Hydroxy-2,7-dimethy-chromen-4-one","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Königs, P; Rinker, B.; Maus, L.; Nieger, M.; Rheinheimer, J.; Waldvogel, S. R.","Structural revision and synthesis of altechromone A.","Journal of natural products","2010","73","12","2064","2066","10.1021/np1005604","","","0.71073","MoKα","","0.0602","0.0457","","","0.1383","0.1479","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502817","20.2775","0.0016","20.2775","0.0016","11.8524","0.0019","90","","90","","120","","4220.5","0.8","100","2","100","2","","","","","","","","3","P 65","P 65","170","","","","- C32.55 H51.96 O4 -","- C32.55 H51.95 O4 -","- C195.3 H311.7 O24 -","6","1","","Maldonado, Emma; Díaz-Arumir, Humberto; Toscano, R. Alfredo; Martínez, Mahinda","Lupane triterpenes with a δ-lactone at ring E, from Lippia mexicana.","Journal of natural products","2010","73","11","1969","1972","10.1021/np100571v","","","0.71073","MoKα","","0.0777","0.067","","","0.1453","0.1507","","","","","","1.137","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502818","31.0432","0.0008","8.6025","0.0002","9.5501","0.0002","90","","92.677","0.002","90","","2547.56","0.1","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Compound 2 - coprinol","","","- C15 H22 O2 -","- C15 H22 O2 -","- C120 H176 O16 -","8","1","","Pettit, George R.; Meng, Yanhui; Pettit, Robin K.; Herald, Delbert L.; Cichacz, Zbigniew A.; Doubek, Dennis L.; Richert, Linda","Antineoplastic agents. 556. Isolation and structure of Coprinastatin 1 from Coprinus cinereus.","Journal of natural products","2010","73","3","388","392","10.1021/np900371j","","","1.54178","CuKα","","0.064","0.0575","","","0.1471","0.1549","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502819","6.7943","0.0002","6.0697","0.0002","8.6532","0.0003","90.358","0.002","104.185","0.001","90.069","0.001","345.964","0.019","123","2","123","2","","","","","","","","3","P 1","P 1","1","Compound 4a","","","- C15 H22 O3 -","- C15 H22 O3 -","- C15 H22 O3 -","1","1","","Pettit, George R.; Meng, Yanhui; Pettit, Robin K.; Herald, Delbert L.; Cichacz, Zbigniew A.; Doubek, Dennis L.; Richert, Linda","Antineoplastic agents. 556. Isolation and structure of Coprinastatin 1 from Coprinus cinereus.","Journal of natural products","2010","73","3","388","392","10.1021/np900371j","","","1.54178","CuKα","","0.0391","0.0384","","","0.1033","0.1042","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502820","8.7251","0.0002","10.7734","0.0003","16.5954","0.0004","90","","100.854","0.001","90","","1532.04","0.07","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound 5","","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C72 H56 N8 O24 -","8","2","","Pettit, George R.; Meng, Yanhui; Pettit, Robin K.; Herald, Delbert L.; Cichacz, Zbigniew A.; Doubek, Dennis L.; Richert, Linda","Antineoplastic agents. 556. Isolation and structure of Coprinastatin 1 from Coprinus cinereus.","Journal of natural products","2010","73","3","388","392","10.1021/np900371j","","","1.54178","CuKα","","0.0373","0.0332","","","0.0861","0.0887","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502821","17.066","0.004","6.9212","0.0015","19.004","0.004","90","","100.536","0.004","90","","2206.9","0.8","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H28 O6 -","- C22 H28 O6 -","- C88 H112 O24 -","4","1","","Wang, Qi; Chen, Tzu-Hsuan; Bastow, Kenneth F.; Lee, Kuo-Hsiung; Chen, Dao-Feng","Altaicalarins A-D, cytotoxic bisabolane sesquiterpenes from Ligularia altaica.","Journal of natural products","2010","73","2","139","142","10.1021/np900489h","","","0.71073","MoKα","","0.1245","0.0564","","","0.122","0.1489","","","","","","0.974","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502822","12.151","0.002","8.4812","0.0017","22.796","0.005","90","","91.48","0.03","90","","2348.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N4 O3 -","- C29 H26 N4 O3 -","- C116 H104 N16 O12 -","4","1","","Jiao, Wei-Hua; Gao, Hao; Li, Chen-Yang; Zhao, Feng; Jiang, Ren-Wang; Wang, Ying; Zhou, Guang-Xiong; Yao, Xin-Sheng","Quassidines A-D, bis-beta-carboline alkaloids from the stems of Picrasma quassioides.","Journal of natural products","2010","73","2","167","171","10.1021/np900538r","","","0.71073","MoKα","","0.0577","0.0369","","","0.087","0.0938","","","","","","0.918","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502823","6.3318","0.0008","13.7667","0.0018","13.9124","0.001","90.472","0.008","90.815","0.008","91.818","0.01","1211.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N4 O5 -","- C28 H28 N4 O4 -","- C56 H56 N8 O8 -","2","1","","Jiao, Wei-Hua; Gao, Hao; Li, Chen-Yang; Zhao, Feng; Jiang, Ren-Wang; Wang, Ying; Zhou, Guang-Xiong; Yao, Xin-Sheng","Quassidines A-D, bis-beta-carboline alkaloids from the stems of Picrasma quassioides.","Journal of natural products","2010","73","2","167","171","10.1021/np900538r","","","0.71073","MoKα","","0.0527","0.0463","","","0.1259","0.1306","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502824","13.551","0.006","6.242","0.003","16.767","0.007","90","","102.966","0.007","90","","1382.1","1.1","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H48 O9 -","- C27 H48 O9 -","- C54 H96 O18 -","2","1","","Wang, Rui; Chen, Wen-Hao; Shi, Yan-Ping","ent-kaurane and ent-pimarane diterpenoids from Siegesbeckia pubescens.","Journal of natural products","2010","73","1","17","21","10.1021/np9005579","","","0.71073","MoKα","","0.053","0.0421","","","0.0907","0.0979","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502825","7.4147","0.0008","10.7871","0.0013","27.001","0.003","90","","90","","90","","2159.6","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O6 -","- C22 H36 O6 -","- C88 H144 O24 -","4","1","","Wang, Rui; Chen, Wen-Hao; Shi, Yan-Ping","ent-kaurane and ent-pimarane diterpenoids from Siegesbeckia pubescens.","Journal of natural products","2010","73","1","17","21","10.1021/np9005579","","","0.71073","MoKα","","0.0519","0.0448","","","0.1189","0.1222","","","","","","1.252","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502826","21.962","0.003","7.6252","0.0011","15.114","0.002","90","","90","","90","","2531.1","0.6","273","2","273","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C26 H40 O6 -","- C26 H40 O6 -","- C104 H160 O24 -","4","1","","Wang, Rui; Chen, Wen-Hao; Shi, Yan-Ping","ent-kaurane and ent-pimarane diterpenoids from Siegesbeckia pubescens.","Journal of natural products","2010","73","1","17","21","10.1021/np9005579","","","0.71073","MoKα","","0.0598","0.0493","","","0.1278","0.1361","","","","","","1.069","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502827","6.9521","0.0009","14.5835","0.0019","17.382","0.002","90","","90","","90","","1762.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","","Feng, Tao; Cai, Xiang-Hai; Liu, Ya-Ping; Li, Yan; Wang, Yuan-Yuan; Luo, Xiao-Dong","Melodinines A-G, monoterpenoid indole alkaloids from Melodinus henryi.","Journal of natural products","2010","73","1","22","26","10.1021/np900595v","","","0.71073","MoKα","","0.067","0.0505","","","0.1378","0.1529","","","","","","0.956","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502828","6.164","","10.0724","0.0001","22.85","0.0001","90","","90","","90","","1418.67","0.015","120","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Zhu, Qin; Tang, Chun-Ping; Ke, Chang-Qiang; Li, Xi-Qiang; Liu, Jin; Gan, Li-She; Weiss, Hans-Christoph; Gesing, Ernst-Rudolf; Ye, Yang","Constituents of Trigonostemon chinensis.","Journal of natural products","2010","73","1","40","44","10.1021/np9006074","","","1.5418","CuKα","","0.0287","0.0285","","","0.0757","0.0757","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502829","9.294","0.0014","11.4297","0.0018","15.266","0.002","90","","90","","90","","1621.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C80 H64 N8 O12 -","4","1","","Zhu, Qin; Tang, Chun-Ping; Ke, Chang-Qiang; Li, Xi-Qiang; Liu, Jin; Gan, Li-She; Weiss, Hans-Christoph; Gesing, Ernst-Rudolf; Ye, Yang","Constituents of Trigonostemon chinensis.","Journal of natural products","2010","73","1","40","44","10.1021/np9006074","","","0.71073","MoKα","","0.0798","0.0451","","","0.0653","0.0734","","","","","","0.876","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502830","7.4736","0.0008","10.0105","0.0011","13.8215","0.0014","90","","91.314","0.005","90","","1033.78","0.19","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O7 -","- C22 H34 O7 -","- C44 H68 O14 -","2","1","","Schmidt, Lori E.; Deyrup, Stephen T.; Baltrusaitis, Jonas; Swenson, Dale C.; Wicklow, Donald T.; Gloer, James B.","Hymenopsins A and B and a macrophorin analogue from a fungicolous Hymenopsis sp.","Journal of natural products","2010","73","3","404","408","10.1021/np900613d","","","0.71073","MoKα","","0.0475","0.0372","","","0.0866","0.0924","","","","","","0.991","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502831","6.0017","0.0005","11.9713","0.0006","9.576","0.0008","90","","93.375","0.003","90","","686.82","0.09","120","2","120","2","","","","","","","'from the Brazilian Red Alga Laurencia catarinensis'","5","P 1 21 1","P 2yb","4","10S*-O-methyl-furocaespitanelactol","4-(3-bromo-4-chloro-4-methylcyclohexyl)-5-methoxy-5-methyl-2(5H)-furanone","","- C13 H18 Br Cl O3 -","- C13 H18 Br Cl O3 -","- C26 H36 Br2 Cl2 O6 -","2","1","","Lhullier, Cintia; Falkenberg, Miriam; Ioannou, Efstathia; Quesada, Antonio; Papazafiri, Panagiota; Horta, Paulo Antunes; Schenkel, Eloir Paulo; Vagias, Constantinos; Roussis, Vassilios","Cytotoxic halogenated metabolites from the Brazilian red alga Laurencia catarinensis.","Journal of natural products","2010","73","1","27","32","10.1021/np900627r","","x-ray","0.71073","MoKα","","0.1153","0.0549","","","0.1082","0.1326","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502832","5.957","0.014","13.28","0.03","7.662","0.017","90","","104.54","0.03","90","","587","2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H17 O6 -","- C10 H17 O6 -","- C20 H34 O12 -","2","1","","Lin, Sheng; Chen, Tao; Liu, Xiao-Hua; Shen, Yun-Heng; Li, Hui-Liang; Shan, Lei; Liu, Run-Hui; Xu, Xi-Ke; Zhang, Wei-Dong; Wang, Hui","Iridoids and lignans from Valeriana jatamansi.","Journal of natural products","2010","73","4","632","638","10.1021/np900795c","","","0.71073","MoKα","","0.0606","0.0595","","","0.1501","0.1517","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502833","9.31894","0.00017","11.1351","0.0002","22.591","0.0007","90","","90","","90","","2344.21","0.09","93.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O13 -","- C23 H28 O13 -","- C92 H112 O52 -","4","1","","Shimokawa, Yoko; Akao, Yusuke; Hirasawa, Yusuke; Awang, Khalijah; Hadi, A Hamid A; Sato, Seizo; Aoyama, Chihiro; Takeo, Jiro; Shiro, Motoo; Morita, Hiroshi","Gneyulins A and B, stilbene trimers, and noidesols A and B, dihydroflavonol-C-glucosides, from the bark of Gnetum gnemonoides.","Journal of natural products","2010","73","4","763","767","10.1021/np9007987","","","1.54187","CuKα","","","0.0471","","","","0.1","","","","","","0.902","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502834","6.7386","0.0003","9.6557","0.0005","27.6093","0.0013","90","","90","","90","","1796.42","0.15","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O8 -","- C19 H24 O8 -","- C76 H96 O32 -","4","1","","Xu, Liangxiong; He, Zhengxiang; Xue, Jinghua; Chen, Xiaoping; Wei, Xiaoyi","beta-Resorcylic acid lactones from a Paecilomyces fungus.","Journal of natural products","2010","73","5","885","889","10.1021/np900853n","","","0.71073","MoKα","","0.0387","0.0346","","","0.0946","0.0976","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502835","6.5866","0.0013","10.932","0.002","24.192","0.005","90","","90","","90","","1741.9","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Feng, Tao; Li, Yan; Liu, Ya-Ping; Cai, Xiang-Hai; Wang, Yuan-Yuan; Luo, Xiao-Dong","Melotenine A, a cytotoxic monoterpenoid indole alkaloid from Melodinus tenuicaudatus.","Organic letters","2010","12","5","968","971","10.1021/ol1000022","","","0.71073","MoKα","","0.1489","0.0549","","","0.1028","0.1376","","","","","","0.914","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502836","6.7271","0.0008","8.4431","0.001","33.243","0.004","90","","90","","90","","1888.1","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Cl O4 -","- C22 H19 Cl O4 -","- C88 H76 Cl4 O16 -","4","1","","Cui, Hai-Lei; Huang, Ji-Rong; Lei, Jie; Wang, Zhao-Feng; Chen, Shi; Wu, Li; Chen, Ying-Chun","Direct asymmetric allylic alkylation of butenolides with Morita-Baylis-Hillman carbonates.","Organic letters","2010","12","4","720","723","10.1021/ol100014m","","","0.71073","MoKα","","0.0332","0.0298","","","0.0681","0.0697","","","","","","1.004","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502837","11.3891","0.0001","18.0473","0.0004","19.6602","0.0003","90","","94.5867","0.001","90","","4028.07","0.11","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H108 Cl6 N4 P2 Pd2 -","- C76 H76 Cl6 N4 P2 Pd2 -","- C152 H152 Cl12 N8 P4 Pd4 -","2","0.5","","Ackermann, Lutz; Potukuchi, Harish K.; Althammer, Andreas; Born, Robert; Mayer, Peter","Tetra-ortho-substituted biaryls through palladium-catalyzed Suzuki-Miyaura couplings with a diaminochlorophosphine ligand.","Organic letters","2010","12","5","1004","1007","10.1021/ol1000186","","","0.71073","MoKα","","0.0655","0.0458","","","0.1297","0.1437","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502838","10.4314","0.0007","15.4544","0.0012","17.8219","0.0016","90","","90","","90","","2873.1","0.4","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 O10 -","- C29 H40 O10 -","- C116 H160 O40 -","4","1","","Cheng, Yuan-Bin; Liao, Tzu-Ching; Lo, I-Wen; Chen, Yu-Chen; Kuo, Yuh-Chi; Chen, Shun-Ying; Chien, Ching-Te; Shen, Ya-Ching","Arisandilactone A, a new triterpenoid from the fruits of Schisandra arisanensis.","Organic letters","2010","12","5","1016","1019","10.1021/ol100024r","","","1.54178","CuKα","","0.2458","0.0754","","","0.1662","0.2451","","","","","","0.744","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502839","7.6052","0.0004","13.5568","0.0007","16.9736","0.0009","90","","90","","90","","1750.02","0.16","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Schultz, Danielle M.; Wolfe, John P.","Synthesis of polycyclic nitrogen heterocycles via alkene aminopalladation/carbopalladation cascade reactions.","Organic letters","2010","12","5","1028","1031","10.1021/ol100033s","","","0.71073","MoKα","","0.0399","0.0346","","","0.0819","0.0852","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502840","13.0331","0.0011","13.2679","0.0011","24.257","0.002","98.544","0.007","93.146","0.007","106.279","0.007","3961.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C75.24 H121 N10 O8.12 P S2.12 -","- C75.24 H121 N10 O8.12 P S2.12 -","- C150.48 H242 N20 O16.24 P2 S4.24 -","2","1","","Dydio, Paweł; Zieliński, Tomasz; Jurczak, Janusz","7,7'-Diureido-2,2'-diindolylmethanes: anion receptors effective in a highly competitive solvent, methanol.","Organic letters","2010","12","5","1076","1078","10.1021/ol1000395","","","0.71073","MoKα","","0.08","0.0369","","","0.0737","0.0797","","","","","","0.81","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502841","18.2601","0.0007","12.6607","0.0004","24.7388","0.0008","90","","93.657","0.003","90","","5707.6","0.3","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C118 H179 N15 O12 P2 -","- C118 H179 N15 O12 P2 -","- C236 H358 N30 O24 P4 -","2","0.5","","Dydio, Paweł; Zieliński, Tomasz; Jurczak, Janusz","7,7'-Diureido-2,2'-diindolylmethanes: anion receptors effective in a highly competitive solvent, methanol.","Organic letters","2010","12","5","1076","1078","10.1021/ol1000395","","","0.71073","MoKα","","0.0907","0.0493","","","0.1248","0.1364","","","","","","0.993","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502842","5.86","0.0006","15.3822","0.0015","18.6383","0.0018","90","","90","","90","","1680.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br N2 O4 -","- C14 H19 Br N2 O4 -","- C56 H76 Br4 N8 O16 -","4","1","","Li, Qing; Ding, Chang-Hua; Hou, Xue-Long; Dai, Li-Xin","Diastereo- and enantioselective synthesis of alpha,gamma-diaminobutyric acid derivatives via Cu-catalyzed asymmetric Michael reaction.","Organic letters","2010","12","5","1080","1083","10.1021/ol100060t","","","0.71073","MoKα","","0.0907","0.0462","","","0.0898","0.1022","","","","","","0.922","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502843","7.6814","0.0001","12.1284","0.0001","27.7022","0.0003","90","","90","","90","","2580.82","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O6 -","- C28 H40 O6 -","- C112 H160 O24 -","4","1","","Wang, Cui-Fang; Liu, Jie-Qing; Yan, Yu-Xin; Chen, Jian-Chao; Lu, Yang; Guo, Yong-Hui; Qiu, Ming-Hua","Three new triterpenoids containing four-membered ring from the fruiting body of Ganoderma sinense.","Organic letters","2010","12","8","1656","1659","10.1021/ol100062b","","","1.54178","CuKα","","0.0432","0.0406","","","0.1111","0.1144","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502844","5.8975","0.0001","12.5457","0.0002","25.999","0.0004","90","","92.6152","0.0006","90","","1921.62","0.05","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O6 -","- C21 H25 N O6 -","- C84 H100 N4 O24 -","4","1","","Bogle, Katherine M.; Hirst, David J.; Dixon, Darren J.","Total synthesis of (+/-)-powelline and (+/-)-buphanidrine.","Organic letters","2010","12","6","1252","1254","10.1021/ol1000654","","","0.71073","MoKα","","0.0592","0.0411","","0.0975","0.0899","0.0975","","","","","","0.9348","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502845","24.6054","0.0004","7.0101","0.0001","15.5516","0.0002","90","","90","","90","","2682.44","0.07","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","","Mondal, Mukulesh; Ibrahim, Ahmad A.; Wheeler, Kraig A.; Kerrigan, Nessan J.","Phosphine-catalyzed asymmetric synthesis of beta-lactones from arylketoketenes and aromatic aldehydes.","Organic letters","2010","12","8","1664","1667","10.1021/ol100075m","","","1.54178","CuKα","","0.056","0.0391","","","0.0956","0.1037","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502846","9.5125","0.0001","10.8526","0.0001","16.4229","0.0002","90","","90","","90","","1695.42","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 N O4 -","- C21 H15 N O4 -","- C84 H60 N4 O16 -","4","1","","Mondal, Mukulesh; Ibrahim, Ahmad A.; Wheeler, Kraig A.; Kerrigan, Nessan J.","Phosphine-catalyzed asymmetric synthesis of beta-lactones from arylketoketenes and aromatic aldehydes.","Organic letters","2010","12","8","1664","1667","10.1021/ol100075m","","","1.54178","CuKα","","0.0274","0.0266","","","0.0687","0.0694","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502847","8.608","0.002","26.375","0.006","18.924","0.005","90","","100.775","0.003","90","","4220.7","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O7.08 S -","- C22 H23 N O7.08 S -","- C176 H184 N8 O56.64 S8 -","8","2","","Sriramurthy, Vardhineedi; Kwon, Ohyun","Diphosphine-catalyzed mixed double-Michael reaction: a unified synthesis of indolines, dihydropyrrolopyridines, benzimidazolines, tetrahydroquinolines, tetrahydroisoquinolines, dihydrobenzo-1,4-oxazines, and dihydrobenzo-3,1-oxazines.","Organic letters","2010","12","5","1084","1087","10.1021/ol100078w","","","0.71073","MoKα","","0.0719","0.0433","","","0.095","0.108","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502848","17.335","0.004","14.557","0.003","9.2973","0.0019","90","","90","","90","","2346.1","0.9","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 N2 O5 S2 -","- C24 H24 N2 O5 S2 -","- C96 H96 N8 O20 S8 -","4","0.5","","Sriramurthy, Vardhineedi; Kwon, Ohyun","Diphosphine-catalyzed mixed double-Michael reaction: a unified synthesis of indolines, dihydropyrrolopyridines, benzimidazolines, tetrahydroquinolines, tetrahydroisoquinolines, dihydrobenzo-1,4-oxazines, and dihydrobenzo-3,1-oxazines.","Organic letters","2010","12","5","1084","1087","10.1021/ol100078w","","","0.71073","MoKα","","0.0669","0.0419","","","0.1126","0.1295","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502849","10.474","0.003","22.89","0.007","7.794","0.003","90","","109.796","0.003","90","","1758.2","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br N O4 S -","- C18 H18 Br N O4 S -","- C72 H72 Br4 N4 O16 S4 -","4","1","","Sriramurthy, Vardhineedi; Kwon, Ohyun","Diphosphine-catalyzed mixed double-Michael reaction: a unified synthesis of indolines, dihydropyrrolopyridines, benzimidazolines, tetrahydroquinolines, tetrahydroisoquinolines, dihydrobenzo-1,4-oxazines, and dihydrobenzo-3,1-oxazines.","Organic letters","2010","12","5","1084","1087","10.1021/ol100078w","","","0.71073","MoKα","","0.0746","0.0402","","","0.0817","0.0918","","","","","","1.117","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502850","15.5229","0.0018","10.0293","0.0012","18.999","0.002","90","","113.179","0.001","90","","2719.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 N O8 S -","- C28 H35 N O8 S -","- C112 H140 N4 O32 S4 -","4","1","","Sriramurthy, Vardhineedi; Kwon, Ohyun","Diphosphine-catalyzed mixed double-Michael reaction: a unified synthesis of indolines, dihydropyrrolopyridines, benzimidazolines, tetrahydroquinolines, tetrahydroisoquinolines, dihydrobenzo-1,4-oxazines, and dihydrobenzo-3,1-oxazines.","Organic letters","2010","12","5","1084","1087","10.1021/ol100078w","","","0.71073","MoKα","","0.0501","0.0416","","","0.1121","0.1179","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502851","8.7615","0.0011","9.7378","0.0012","26.004","0.003","90","","90","","90","","2218.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O7 S -","- C23 H25 N O7 S -","- C92 H100 N4 O28 S4 -","4","1","","Sriramurthy, Vardhineedi; Kwon, Ohyun","Diphosphine-catalyzed mixed double-Michael reaction: a unified synthesis of indolines, dihydropyrrolopyridines, benzimidazolines, tetrahydroquinolines, tetrahydroisoquinolines, dihydrobenzo-1,4-oxazines, and dihydrobenzo-3,1-oxazines.","Organic letters","2010","12","5","1084","1087","10.1021/ol100078w","","","0.71073","MoKα","","0.039","0.0334","","","0.0787","0.081","","","","","","1.241","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502852","7.5859","0.0013","8.635","0.0015","18.433","0.003","84.251","0.002","81.606","0.002","85.071","0.001","1185.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O9 S -","- C24 H25 N O9 S -","- C48 H50 N2 O18 S2 -","2","1","","Sriramurthy, Vardhineedi; Kwon, Ohyun","Diphosphine-catalyzed mixed double-Michael reaction: a unified synthesis of indolines, dihydropyrrolopyridines, benzimidazolines, tetrahydroquinolines, tetrahydroisoquinolines, dihydrobenzo-1,4-oxazines, and dihydrobenzo-3,1-oxazines.","Organic letters","2010","12","5","1084","1087","10.1021/ol100078w","","","0.71073","MoKα","","0.0722","0.0466","","","0.1183","0.1328","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502853","7.649","0.003","11.673","0.004","24.726","0.004","90","","90","","90","","2207.7","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dimethyl 2-((3S)-2-acetyl-1-(ethoxycarbonyl)-3-(hydroxymethyl) -2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)malonate","","- C22 H26 N2 O8 -","- C22 H26 N2 O8 -","- C88 H104 N8 O32 -","4","1","","Rannoux, Claire; Roussi, Fanny; Retailleau, Pascal; Guéritte, Françoise","Direct and selective functionalization of a tetrahydro-beta-carboline at position 4.","Organic letters","2010","12","6","1240","1243","10.1021/ol100094s","","","0.71069","MoKα","","0.0583","0.042","","","0.0988","0.1081","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502854","11.8548","0.0002","11.8548","0.0002","31.3077","0.0006","90","","90","","120","","3810.4","0.12","123.1","","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C25 H34 N2 O5 S -","- C25 H34 N2 O5 S -","- C150 H204 N12 O30 S6 -","6","1","","Hashimoto, Takuya; Nakatsu, Hiroki; Watanabe, Shogo; Maruoka, Keiji","Stereoselective synthesis of trisubstituted aziridines with N-alpha-diazoacyl camphorsultam.","Organic letters","2010","12","8","1668","1671","10.1021/ol100104v","","","1.54187","CuKα","","","0.0322","","","","0.0817","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502855","6.78085","0.00012","16.122","0.0003","18.0004","0.0003","90","","90","","90","","1967.82","0.06","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O5 S -","- C21 H26 N2 O5 S -","- C84 H104 N8 O20 S4 -","4","1","","Hashimoto, Takuya; Nakatsu, Hiroki; Watanabe, Shogo; Maruoka, Keiji","Stereoselective synthesis of trisubstituted aziridines with N-alpha-diazoacyl camphorsultam.","Organic letters","2010","12","8","1668","1671","10.1021/ol100104v","","","1.54187","CuKα","","","0.0301","","","","0.0761","","","","","","1.151","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502856","8.1176","0.0007","8.2044","0.0007","11.2871","0.0009","86.804","0.006","88.979","0.005","76.988","0.005","731.27","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N O3 P -","- C16 H18 N O3 P -","- C32 H36 N2 O6 P2 -","2","1","","Lu, Hongjian; Tao, Jingran; Jones, Jess E.; Wojtas, Lukasz; Zhang, X. Peter","Cobalt(II)-catalyzed intramolecular C-H amination with phosphoryl azides: formation of 6- and 7-membered cyclophosphoramidates.","Organic letters","2010","12","6","1248","1251","10.1021/ol100110z","","","1.54178","CuKα","","0.0541","0.0419","","","0.0992","0.106","","","","","","0.954","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502857","17.2209","0.0002","11.0759","0.0002","25.2187","0.0004","90","","90.108","0.001","90","","4810.13","0.13","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.375 H30.375 Cl1.125 N O5 P -","- C22.38 H30.375 Cl1.125 N O5 P -","- C179.04 H243 Cl9 N8 O40 P8 -","8","1","","Lu, Hongjian; Tao, Jingran; Jones, Jess E.; Wojtas, Lukasz; Zhang, X. Peter","Cobalt(II)-catalyzed intramolecular C-H amination with phosphoryl azides: formation of 6- and 7-membered cyclophosphoramidates.","Organic letters","2010","12","6","1248","1251","10.1021/ol100110z","","","1.54178","CuKα","","0.0447","0.0412","","","0.1075","0.1096","","","","","","1.08","","","","has coordinates","208246","2020-10-21","18:00:00",""
"1502858","15.0518","0.0019","7.8121","0.001","10.9784","0.0014","90","","127.009","0.002","90","","1030.8","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C48 H76 N4 O8 -","4","1","","Meyer, Angelica M.; Katz, Christopher E.; Li, Sze-Wan; Vander Velde, David; Aubé, Jeffrey","A tandem Prins/Schmidt reaction approach to marine alkaloids: formal and total syntheses of lepadiformines A and C.","Organic letters","2010","12","6","1244","1247","10.1021/ol100113r","","","0.71073","MoKα","","0.078","0.0687","","","0.1559","0.1619","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502859","8.0408","0.0012","9.8552","0.0016","11.1629","0.0018","82.241","0.004","71.089","0.003","83.872","0.004","827.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H31 N O2 -","- C18 H31 N O2 -","- C36 H62 N2 O4 -","2","1","","Meyer, Angelica M.; Katz, Christopher E.; Li, Sze-Wan; Vander Velde, David; Aubé, Jeffrey","A tandem Prins/Schmidt reaction approach to marine alkaloids: formal and total syntheses of lepadiformines A and C.","Organic letters","2010","12","6","1244","1247","10.1021/ol100113r","","","0.71073","MoKα","","0.0496","0.0449","","","0.1235","0.1283","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502860","10.3491","0.0004","13.9142","0.0006","14.5174","0.0007","90","","92.506","0.002","90","","2088.5","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H42 N2 O6 S -","- C46 H42 N2 O6 S -","- C92 H84 N4 O12 S2 -","2","1","","Chen, Wen-Ching; Lee, Yi-Wei; Chen, Chien-Tien","Diastereoselective, synergistic dual-mode optical switch with integrated chirochromic helicene and photochromic bis-azobenzene moieties.","Organic letters","2010","12","7","1472","1475","10.1021/ol100117s","","","0.71073","MoKα","","0.1514","0.1055","","","0.2481","0.2774","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502861","15.0278","0.0004","8.3561","0.0003","15.8925","0.0005","90","","113.371","0.002","90","","1831.95","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H46 N2 O2 S -","- C46 H46 N2 O2 S -","- C92 H92 N4 O4 S2 -","2","1","","Chen, Wen-Ching; Lee, Yi-Wei; Chen, Chien-Tien","Diastereoselective, synergistic dual-mode optical switch with integrated chirochromic helicene and photochromic bis-azobenzene moieties.","Organic letters","2010","12","7","1472","1475","10.1021/ol100117s","","","0.71073","MoKα","","0.1651","0.0905","","","0.1941","0.2535","","","","","","1.117","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502862","10.9995","0.0003","14.5737","0.0004","12.0336","0.0004","90","","95.381","0.001","90","","1920.53","0.1","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H40 N2 O6 -","- C46 H40 N2 O6 -","- C92 H80 N4 O12 -","2","1","","Chen, Wen-Ching; Lee, Yi-Wei; Chen, Chien-Tien","Diastereoselective, synergistic dual-mode optical switch with integrated chirochromic helicene and photochromic bis-azobenzene moieties.","Organic letters","2010","12","7","1472","1475","10.1021/ol100117s","","","0.71073","MoKα","","0.1088","0.074","","","0.1582","0.1959","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502863","6.5394","0.0011","7.6922","0.0012","28.463","0.005","90","","90","","90","","1431.8","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O S Si -","- C13 H20 O S Si -","- C52 H80 O4 S4 Si4 -","4","1","","Smith, 3rd, Amos B; Tong, Rongbiao","Benzyl and phenylthiomethyl silanes: a new class of bifunctional linchpins for type II anion relay chemistry (ARC).","Organic letters","2010","12","6","1260","1263","10.1021/ol100130x","","","0.71073","MoKα","","0.0331","0.0309","","","0.0684","0.0698","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502864","6.5761","0.0011","7.7174","0.0014","29.566","0.006","90","","90","","90","","1500.5","0.5","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O S Si -","- C14 H22 O S Si -","- C56 H88 O4 S4 Si4 -","4","1","","Smith, 3rd, Amos B; Tong, Rongbiao","Benzyl and phenylthiomethyl silanes: a new class of bifunctional linchpins for type II anion relay chemistry (ARC).","Organic letters","2010","12","6","1260","1263","10.1021/ol100130x","","","0.71073","MoKα","","0.0362","0.0338","","","0.0773","0.0796","","","","","","1.11","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502865","9.4119","0.0016","9.3243","0.0015","12.776","0.002","90","","106.893","0.004","90","","1072.8","0.3","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 Br O3 Si -","- C21 H27 Br O3 Si -","- C42 H54 Br2 O6 Si2 -","2","1","","Smith, 3rd, Amos B; Tong, Rongbiao","Benzyl and phenylthiomethyl silanes: a new class of bifunctional linchpins for type II anion relay chemistry (ARC).","Organic letters","2010","12","6","1260","1263","10.1021/ol100130x","","","0.71073","MoKα","","0.0401","0.034","","","0.0669","0.0705","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502866","11.058","0.0006","6.1283","0.0003","16.6542","0.0008","90","","103.318","0.001","90","","1098.25","0.1","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H23 Cl N2 O6 Si -","- C20 H23 Cl N2 O6 Si -","- C40 H46 Cl2 N4 O12 Si2 -","2","1","","Smith, 3rd, Amos B; Tong, Rongbiao","Benzyl and phenylthiomethyl silanes: a new class of bifunctional linchpins for type II anion relay chemistry (ARC).","Organic letters","2010","12","6","1260","1263","10.1021/ol100130x","","","0.71073","MoKα","","0.0298","0.0268","","","0.0647","0.0662","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502867","6.551","0.0001","17.5144","0.0004","10.7025","0.0003","90","","90.7342","0.001","90","","1227.87","0.05","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","Guajadial","","","- C30 H34 O5 -","- C30 H34 O5 -","- C60 H68 O10 -","2","1","","Lawrence, Andrew L.; Adlington, Robert M.; Baldwin, Jack E.; Lee, Victor; Kershaw, Jessica A.; Thompson, Amber L.","A short biomimetic synthesis of the meroterpenoids guajadial and psidial A.","Organic letters","2010","12","8","1676","1679","10.1021/ol100138k","","","0.71073","MoKα","","0.0772","0.0689","","0.1666","0.1575","0.1666","","","","","","0.935","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502868","11.1537","0.0001","11.1537","0.0001","40.4908","0.0003","90","","90","","90","","5037.26","0.07","150","","150","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","Psidial A","","","- C30 H34 O5 -","- C30 H34 O5 -","- C240 H272 O40 -","8","1","","Lawrence, Andrew L.; Adlington, Robert M.; Baldwin, Jack E.; Lee, Victor; Kershaw, Jessica A.; Thompson, Amber L.","A short biomimetic synthesis of the meroterpenoids guajadial and psidial A.","Organic letters","2010","12","8","1676","1679","10.1021/ol100138k","","","0.71073","MoKα","","0.0358","0.0323","","0.0751","0.0739","0.0751","","","","","","1.0045","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502869","10.264","0.004","9.801","0.004","13.252","0.006","90","","97.013","0.006","90","","1323.1","1","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Liu, Yongxiang; Xu, Wenqing; Wang, Xiang","Gold(I)-catalyzed tandem cyclization approach to tetracyclic indolines.","Organic letters","2010","12","7","1448","1451","10.1021/ol100153h","","","0.71073","MoKα","","0.0741","0.0488","","","0.1066","0.1191","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502870","11.123","0.002","13.112","0.003","21.321","0.004","90","","90","","90","","3109.6","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H28 B2 F4 N2 O2 -","- C40 H28 B2 F4 N2 O2 -","- C160 H112 B8 F16 N8 O8 -","4","1","","Zhou, Ying; Kim, Ji Whan; Kim, Min Jung; Son, Won-Joon; Han, Su Jung; Kim, Ha Na; Han, Seungwu; Kim, Youngmee; Lee, Chongmok; Kim, Sung-Jin; Kim, Dong Ha; Kim, Jang-Joo; Yoon, Juyoung","Novel bi-nuclear boron complex with pyrene ligand: red-light emitting as well as electron transporting material in organic light-emitting diodes.","Organic letters","2010","12","6","1272","1275","10.1021/ol100160d","","","0.71073","MoKα","","0.1108","0.0352","","","0.0478","0.0525","","","","","","0.88","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502871","10.7635","0.0012","10.9523","0.0012","25.753","0.003","90","","90","","90","","3035.9","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Br N2 O2 -","- C34 H31 Br N2 O2 -","- C136 H124 Br4 N8 O8 -","4","1","","Zheng, Bao-Hui; Ding, Chang-Hua; Hou, Xue-Long; Dai, Li-Xin","Ag-Catalyzed diastereo- and enantioselective synthesis of beta-substituted tryptophans from sulfonylindoles.","Organic letters","2010","12","8","1688","1691","10.1021/ol100161n","","","0.71073","MoKα","","0.1164","0.0437","","","0.0866","0.1074","","","","","","0.888","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502872","20.425","0.005","8.0342","0.0019","11.639","0.003","90","","102.867","0.004","90","","1862","0.8","125","2","125","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C88 H100 N4 O8 -","4","1","","Solomon, Marissa R.; Sivaguru, J.; Jockusch, Steffen; Adam, Waldemar; Turro, Nicholas J.","Decoding stereocontrol during the photooxygenation of oxazolidinone-functionalized enecarbamates.","Organic letters","2010","12","9","2142","2145","10.1021/ol100174r","","","0.71073","MoKα","","0.1623","0.0711","","","0.1473","0.178","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502873","13.6286","0.0004","10.5494","0.0003","16.1848","0.0005","90","","104.647","0.001","90","","2251.33","0.12","99","2","99","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H66 O4 Si2 -","- C46 H66 O4 Si2 -","- C92 H132 O8 Si4 -","2","0.5","","VanVeller, Brett; Miki, Koji; Swager, Timothy M.","Rigid hydrophilic structures for improved properties of conjugated polymers and nitrotyrosine sensing in water.","Organic letters","2010","12","6","1292","1295","10.1021/ol1001768","","","0.71073","MoKα","","0.0498","0.0443","","","0.1167","0.1222","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502874","9.0065","0.0004","12.0657","0.0006","12.5677","0.0006","93.446","0.001","94.118","0.001","105.057","0.001","1311.03","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H86 O10 Si2 -","- C54 H86 O10 Si2 -","- C54 H86 O10 Si2 -","1","0.5","","VanVeller, Brett; Miki, Koji; Swager, Timothy M.","Rigid hydrophilic structures for improved properties of conjugated polymers and nitrotyrosine sensing in water.","Organic letters","2010","12","6","1292","1295","10.1021/ol1001768","","","0.71073","MoKα","","0.0425","0.0377","","","0.1005","0.1053","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502875","16.6965","0.0006","11.846","0.0004","26.3464","0.0009","90","","98.013","0.001","90","","5160.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H73 O12 Os2 Si2 -","- C49 H73 O12 Os2 Si2 -","- C196 H292 O48 Os8 Si8 -","4","1","","VanVeller, Brett; Miki, Koji; Swager, Timothy M.","Rigid hydrophilic structures for improved properties of conjugated polymers and nitrotyrosine sensing in water.","Organic letters","2010","12","6","1292","1295","10.1021/ol1001768","","","0.71073","MoKα","","0.0249","0.0207","","","0.0468","0.0486","","","","","","1.089","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502876","12.7591","0.0007","13.1605","0.0007","14.769","0.0007","70.182","0.002","76.378","0.002","74.595","0.003","2220.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H70 O8 Si2 -","- C46 H70 O8 Si2 -","- C92 H140 O16 Si4 -","2","1","","VanVeller, Brett; Miki, Koji; Swager, Timothy M.","Rigid hydrophilic structures for improved properties of conjugated polymers and nitrotyrosine sensing in water.","Organic letters","2010","12","6","1292","1295","10.1021/ol1001768","","","1.54178","CuKα","","0.0488","0.0457","","","0.117","0.1201","","","","","","1.05","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502877","14.7933","0.001","18.552","0.0014","19.4094","0.0013","62.168","0.003","79.797","0.003","88.043","0.003","4628.9","0.6","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H68 Si2 -","- C60 H68 Si2 -","- C240 H272 Si8 -","4","2","","Purushothaman, Balaji; Parkin, Sean R.; Anthony, John E.","Synthesis and stability of soluble hexacenes.","Organic letters","2010","12","9","2060","2063","10.1021/ol100178s","","","1.54178","CuKα","","0.0902","0.0727","","","0.1998","0.2131","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502878","15.3659","0.0002","16.6076","0.0002","23.6656","0.0004","94.914","0.0005","96.4665","0.0006","100.734","0.0006","5860.54","0.14","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C102 H148 Cl6 Si16 -","- C102 H148 Cl6 Si16 -","- C204 H296 Cl12 Si32 -","2","1","","Purushothaman, Balaji; Parkin, Sean R.; Anthony, John E.","Synthesis and stability of soluble hexacenes.","Organic letters","2010","12","9","2060","2063","10.1021/ol100178s","","","0.71073","MoKα","","0.0957","0.0587","","","0.1473","0.1647","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502879","14.079","0.0007","14.7642","0.0008","23.8779","0.0012","90","","99.938","0.002","90","","4888.9","0.4","90","0.2","90","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C108 H136 Si4 -","- C108 H136 Si4 -","- C216 H272 Si8 -","2","1","","Purushothaman, Balaji; Parkin, Sean R.; Anthony, John E.","Synthesis and stability of soluble hexacenes.","Organic letters","2010","12","9","2060","2063","10.1021/ol100178s","","","1.54178","CuKα","","0.0692","0.0617","","","0.165","0.1756","","","","","","1.022","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502880","10.6166","0.0005","14.4156","0.0007","17.9265","0.0008","110.544","0.002","93.866","0.002","103.166","0.002","2468.7","0.2","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C114 H150 Si4 -","- C114 H150 Si4 -","- C114 H150 Si4 -","1","0.5","","Purushothaman, Balaji; Parkin, Sean R.; Anthony, John E.","Synthesis and stability of soluble hexacenes.","Organic letters","2010","12","9","2060","2063","10.1021/ol100178s","","","1.54178","CuKα","","0.113","0.0985","","","0.2551","0.2709","","","","","","1.034","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502881","13.0676","0.0002","18.3378","0.0003","20.1377","0.0004","90","","108.235","0.0008","90","","4583.28","0.14","90","0.2","90","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H68 Si2 -","- C54 H68 Si2 -","- C216 H272 Si8 -","4","1","","Purushothaman, Balaji; Parkin, Sean R.; Anthony, John E.","Synthesis and stability of soluble hexacenes.","Organic letters","2010","12","9","2060","2063","10.1021/ol100178s","","","0.71073","MoKα","","0.1449","0.0794","","","0.1992","0.2386","","","","","","1.049","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502882","11.6223","0.0008","14.2257","0.001","17.1922","0.0011","99.376","0.003","109.161","0.003","91.558","0.003","2639.2","0.3","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H80 Si2 -","- C66 H80 Si2 -","- C132 H160 Si4 -","2","1","","Purushothaman, Balaji; Parkin, Sean R.; Anthony, John E.","Synthesis and stability of soluble hexacenes.","Organic letters","2010","12","9","2060","2063","10.1021/ol100178s","","","1.54178","CuKα","","0.0941","0.0671","","","0.1681","0.1867","","","","","","1.023","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502883","17.1435","0.0006","10.1913","0.0005","10.6419","0.0004","90","","109.586","0.002","90","","1751.71","0.13","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H19 Cl N2 O2 -","- C20 H19 Cl N2 O2 -","- C80 H76 Cl4 N8 O8 -","4","1","","Wang, Xu-Fan; Chen, Jia-Rong; Cao, Yi-Ju; Cheng, Hong-Gang; Xiao, Wen-Jing","An enantioselective approach to highly substituted tetrahydrocarbazoles through hydrogen bonding-catalyzed cascade reactions.","Organic letters","2010","12","5","1140","1143","10.1021/ol1001818","","","0.71073","MoKα","","0.076","0.056","","","0.1239","0.149","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502884","7.13575","0.00015","11.5318","0.0003","16.6052","0.0004","90","","95.8187","0.0014","90","","1359.37","0.06","103.1","","103.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","2","","Kawato, Yuji; Takahashi, Noriko; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric conjugate addition of alpha-cyanoketones for the construction of a quaternary stereogenic center.","Organic letters","2010","12","7","1484","1487","10.1021/ol100183s","","","1.54187","CuKα","","","0.0483","","","","0.1246","","","","","","0.975","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502885","5.91964","0.00011","8.88008","0.00016","37.613","0.003","90","","90","","90","","1977.2","0.17","153.1","","153.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O2 -","- C23 H24 Br N O2 -","- C92 H96 Br4 N4 O8 -","4","1","","Kawato, Yuji; Takahashi, Noriko; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric conjugate addition of alpha-cyanoketones for the construction of a quaternary stereogenic center.","Organic letters","2010","12","7","1484","1487","10.1021/ol100183s","","","1.54187","CuKα","","","0.0251","","","","0.0617","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502886","7.55942","0.00017","11.8178","0.0003","33.4709","0.0008","90","","90","","90","","2990.15","0.12","93.1","","93.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C152 H136 N8 O16 -","8","2","","Kawato, Yuji; Takahashi, Noriko; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric conjugate addition of alpha-cyanoketones for the construction of a quaternary stereogenic center.","Organic letters","2010","12","7","1484","1487","10.1021/ol100183s","","","1.54187","CuKα","","","0.0553","","","","0.146","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502887","13.7376","0.0015","16.7733","0.0018","19.374","0.002","79.133","0.002","86.956","0.002","79.334","0.002","4307.7","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H89 F24 N15 O4 P4 -","- C78 H88.55 F24 N15 O4 P4 -","- C156 H177.1 F48 N30 O8 P8 -","2","1","","Koshkakaryan, Gayane; Cao, Dennis; Klivansky, Liana M.; Teat, Simon J.; Tran, Jasper L.; Liu, Yi","Dual selectivity expressed in [2 + 2 + 1] dynamic clipping of unsymmetrical [2]catenanes.","Organic letters","2010","12","7","1528","1531","10.1021/ol100215c","","","0.7749","synchrotron","","0.1039","0.0707","","","0.1862","0.2091","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502888","13.4848","0.0007","14.4359","0.0007","22.2157","0.0016","101.795","0.004","98.237","0.004","104.531","0.003","4010.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MA30","frechet08","","- C74 H81 F24 N11 O5 P4 -","- C74 H79 F24 N11 O5 P4 -","- C148 H158 F48 N22 O10 P8 -","2","1","","Koshkakaryan, Gayane; Cao, Dennis; Klivansky, Liana M.; Teat, Simon J.; Tran, Jasper L.; Liu, Yi","Dual selectivity expressed in [2 + 2 + 1] dynamic clipping of unsymmetrical [2]catenanes.","Organic letters","2010","12","7","1528","1531","10.1021/ol100215c","","","1.54178","CuKα","","0.0889","0.081","","","0.2172","0.225","","","","","","1.022","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"1502889","12.1392","0.0007","9.3921","0.0005","10.1486","0.0005","90","","96.634","0.001","90","","1149.32","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C52 H56 Cl4 N4 O4 -","4","1","","Li, Xinyu; Li, Cheng; Zhang, Wenjing; Lu, Xiang; Han, Shiqing; Hong, Ran","Highly stereoselective 7-endo-trig/ring contraction cascade to construct pyrrolo[1,2-a]quinoline derivatives.","Organic letters","2010","12","8","1696","1699","10.1021/ol100220c","","","0.71073","MoKα","","0.0535","0.0395","","","0.1047","0.1182","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502890","7.1065","0.0004","6.9716","0.0004","24.0669","0.0013","90","","104.243","0.003","90","","1155.71","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C52 H56 Cl4 N4 O4 -","4","1","","Li, Xinyu; Li, Cheng; Zhang, Wenjing; Lu, Xiang; Han, Shiqing; Hong, Ran","Highly stereoselective 7-endo-trig/ring contraction cascade to construct pyrrolo[1,2-a]quinoline derivatives.","Organic letters","2010","12","8","1696","1699","10.1021/ol100220c","","","0.71073","MoKα","","0.0803","0.0783","","","0.1736","0.1743","","","","","","1.195","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502891","13.8985","0.0006","14.4684","0.0006","17.6975","0.0007","90","","114.023","0.002","90","","3250.5","0.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phosphafluorene","","","- C42 H33 O4 P -","- C42 H33 O4 P -","- C168 H132 O16 P4 -","4","1","","Fukawa, Naohiro; Osaka, Takuya; Noguchi, Keiichi; Tanaka, Ken","Asymmetric synthesis and photophysical properties of benzopyrano- or naphthopyrano-fused helical phosphafluorenes.","Organic letters","2010","12","6","1324","1327","10.1021/ol100227k","","","1.54187","CuKα","","0.161","0.09","","","0.2136","0.2399","","","","","","1.442","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502892","14.89","0.005","8.125","0.003","19.134","0.007","90","","112.53","0.004","90","","2138.2","1.3","173","2","173","2","","","100","","","","Synthetic","5","P 1 21 1","P 2yb","4","sa250","(±)-(1R,2S,7S)- 2-Benzyl -6-methylene-N-tosyl 3-aza-bicyclo[5.3.0]decane","","- C24 H29 N O2 S -","- C24 H29 N O2 S -","- C96 H116 N4 O8 S4 -","4","2","","Li, Qian; Jiang, Guo-Jie; Jiao, Lei; Yu, Zhi-Xiang","Reaction of alpha-ene-vinylcyclopropanes: type II intramolecular [5+2] cycloaddition or [3+2] cycloaddition?","Organic letters","2010","12","6","1332","1335","10.1021/ol100237h","","","0.71073","MoKα","","0.0694","0.0613","","","0.1181","0.1239","","","","","","1.098","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502893","8.4158","0.0017","9.0268","0.0018","11.505","0.002","78.21","0.03","86.73","0.03","65.64","0.03","779","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C34 H42 N2 O4 S2 -","2","1","","Li, Qian; Jiang, Guo-Jie; Jiao, Lei; Yu, Zhi-Xiang","Reaction of alpha-ene-vinylcyclopropanes: type II intramolecular [5+2] cycloaddition or [3+2] cycloaddition?","Organic letters","2010","12","6","1332","1335","10.1021/ol100237h","","","0.71073","MoKα","","0.0609","0.0531","","","0.1215","0.1252","","","","","","1.199","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502894","9.5014","0.0019","16.309","0.003","10.359","0.002","90","","112.37","0.03","90","","1484.4","0.6","173","2","173","2","","","100","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","sx2702","Cis-5-Methylene-N-tosyl 3-azabicyclo[4.3.0]nonane","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C64 H84 N4 O8 S4 -","4","1","","Li, Qian; Jiang, Guo-Jie; Jiao, Lei; Yu, Zhi-Xiang","Reaction of alpha-ene-vinylcyclopropanes: type II intramolecular [5+2] cycloaddition or [3+2] cycloaddition?","Organic letters","2010","12","6","1332","1335","10.1021/ol100237h","","","0.71073","MoKα","","0.1155","0.0777","","","0.1196","0.1304","","","","","","1.257","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502895","9.3669","0.0004","18.7512","0.0007","11.2466","0.0004","90","","111.507","0.0013","90","","1837.82","0.12","123.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Cl4 Ga2 P2 -","- C36 H42 Cl4 Ga2 P2 -","- C72 H84 Cl8 Ga4 P4 -","2","0.5","","Kiyokawa, Kensuke; Yasuda, Makoto; Baba, Akio","Cyclopropylmethylation of benzylic and allylic chlorides with cyclopropylmethylstannane catalyzed by gallium or indium halide.","Organic letters","2010","12","7","1520","1523","10.1021/ol100240b","","","0.71075","MoKα","","","0.0419","","","","0.0848","","","","","","1.115","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502896","7.9979","0.0004","7.4197","0.0004","19.3497","0.0009","90","","92.978","0.002","90","","1146.7","0.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Oh, Chang Ho; Lee, Sung Min; Hong, Chang Seop","Pt-catalyzed hydrative cyclization of 2-enynylbenzaldehydes and its application to faveline synthesis.","Organic letters","2010","12","6","1308","1311","10.1021/ol100255z","","","0.71073","MoKα","","0.0661","0.0469","","","0.1147","0.1264","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502897","9.572","0.0006","13.652","0.0008","19.809","0.0015","90","","90","","90","","2588.6","0.3","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C120 H136 N8 O24 -","8","1","","DeLorbe, John E.; Lotz, Monica D.; Martin, Stephen F.","Concise total synthesis of (+/-)-lycopladine A.","Organic letters","2010","12","7","1576","1579","10.1021/ol100273p","","","0.7107","MoKα","","0.0847","0.0492","","","0.102","0.116","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502898","11.1591","0.0001","15.2961","0.0001","18.7549","0.0002","90","","90","","90","","3201.29","0.05","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 O13 -","- C31 H42 O13 -","- C124 H168 O52 -","4","1","","Wang, Sujuan; Lin, Sheng; Zhu, Chenggen; Yang, Yongchun; Li, Shuai; Zhang, Jianjun; Chen, Xiaoguang; Shi, Jiangong","Highly acylated diterpenoids with a new 3,4-secograyanane skeleton from the flower buds of Rhododendron molle.","Organic letters","2010","12","7","1560","1563","10.1021/ol1002797","","","1.54178","CuKα","","0.0357","0.0353","","","0.097","0.0975","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502899","11.307","0.004","11.307","0.004","27.871","0.01","90","","90","","120","","3085.9","1.9","296","2","296","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C17 H16 Br N2 O6 S -","- C17 H16 Br N2 O6 S -","- C102 H96 Br6 N12 O36 S6 -","6","1","","Jiang, Xianxing; Zhang, Gen; Fu, Dan; Cao, Yiming; Shen, Fangfang; Wang, Rui","Direct organocatalytic asymmetric aldol reaction of alpha-isothiocyanato imides to alpha-ketoesters under low ligand loading: a doubly stereocontrolled approach to cyclic thiocarbamates bearing chiral quaternary stereocenters.","Organic letters","2010","12","7","1544","1547","10.1021/ol1002829","","","0.71073","MoKα","","0.1869","0.0575","","","0.1187","0.1687","","","","","","0.905","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502900","29.196","0.01","11.506","0.004","19.556","0.007","90","","123.663","0.005","90","","5468","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 N4 O6 S -","- C28 H30 N4 O6 S -","- C224 H240 N32 O48 S8 -","8","1","","Jones, Amanda L.; Snyder, John K.","Synthesis of unique scaffolds via Diels-Alder cycloadditions of tetrasubstituted cyclohexadienes.","Organic letters","2010","12","7","1592","1595","10.1021/ol100318f","","","0.71073","MoKα","","0.0666","0.0408","","","0.1031","0.1262","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502901","17.1179","0.0006","16.3282","0.0006","17.0034","0.0006","90","","97.574","0.002","90","","4711.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N3 O5 -","- C28 H27 N3 O5 -","- C224 H216 N24 O40 -","8","2","","Jones, Amanda L.; Snyder, John K.","Synthesis of unique scaffolds via Diels-Alder cycloadditions of tetrasubstituted cyclohexadienes.","Organic letters","2010","12","7","1592","1595","10.1021/ol100318f","","","0.71073","MoKα","","0.0778","0.0457","","","0.1111","0.1317","","","","","","1.014","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502902","11.3919","0.0002","28.3759","0.0006","18.3852","0.0005","90","","95.9248","0.0014","90","","5911.4","0.2","173","","173","","","","","","","","LOC ETH Zurich","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O2 S -","- C12 H15 N O2 S -","- C240 H300 N20 O40 S20 -","20","5","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Rogers-Evans, Mark; Carreira, Erick M.","Synthesis and structural analysis of a new class of azaspiro[3.3]heptanes as building blocks for medicinal chemistry.","Organic letters","2010","12","9","1944","1947","10.1021/ol1003302","","","0.71073","MoKα","","0.1633","0.0725","","","0.1642","0.214","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502903","20.724","0.0008","5.8436","0.0002","10.4288","0.0004","90","","90","","90","","1262.96","0.08","173","","173","","","","","","","","LOC ETH Zurich","6","P n a 21","P 2c -2n","33","","(4-bomophenyl)(1,1-dioxo-1-thia-6-azaspiro[3.3]heptan-6-yl)methanone","","- C12 H12 Br N O3 S -","- C12 H12 Br N O3 S -","- C48 H48 Br4 N4 O12 S4 -","4","1","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Rogers-Evans, Mark; Carreira, Erick M.","Synthesis and structural analysis of a new class of azaspiro[3.3]heptanes as building blocks for medicinal chemistry.","Organic letters","2010","12","9","1944","1947","10.1021/ol1003302","","","0.71073","MoKα","","0.0333","0.0313","","","0.0917","0.0952","","","","","","0.791","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502904","8.0257","0.0001","11.3647","0.0002","12.6017","0.0002","90.2638","0.0006","91.1398","0.0007","106.705","0.0007","1100.61","0.03","123","","123","","","","","","","","LOC ETH Zurich","5","P -1","-P 1","2","","","","- C12 H12 Br N O2 -","- C12 H12 Br N O2 -","- C48 H48 Br4 N4 O8 -","4","2","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Rogers-Evans, Mark; Carreira, Erick M.","Synthesis and structural analysis of a new class of azaspiro[3.3]heptanes as building blocks for medicinal chemistry.","Organic letters","2010","12","9","1944","1947","10.1021/ol1003302","","","0.71073","MoKα","","0.0348","0.0305","","","0.0994","0.1061","","","","","","0.873","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502905","16.3389","0.0005","17.2034","0.0006","6.701","0.0002","90","","100.42","0.002","90","","1852.49","0.1","173","","173","","","","","","","","LOC ETH Zurich","6","P 1 21/c 1","-P 2ybc","14","","(4-bromophenyl)(6-tosyl-1,6-diazaspiro[3.3]heptan-1-yl)methanone","","- C19 H19 Br N2 O3 S -","- C19 H19 Br N2 O3 S -","- C76 H76 Br4 N8 O12 S4 -","4","1","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Rogers-Evans, Mark; Carreira, Erick M.","Synthesis and structural analysis of a new class of azaspiro[3.3]heptanes as building blocks for medicinal chemistry.","Organic letters","2010","12","9","1944","1947","10.1021/ol1003302","","","0.71073","MoKα","","0.0721","0.0466","","","0.134","0.1546","","","","","","0.977","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502906","9.9717","0.0003","8.8126","0.0003","25.5594","0.0011","90","","90","","90","","2246.07","0.14","173","","173","","","","","","","","LOC ETH Zurich","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br N O2 -","- C12 H12 Br N O2 -","- C96 H96 Br8 N8 O16 -","8","1","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Rogers-Evans, Mark; Carreira, Erick M.","Synthesis and structural analysis of a new class of azaspiro[3.3]heptanes as building blocks for medicinal chemistry.","Organic letters","2010","12","9","1944","1947","10.1021/ol1003302","","","0.71073","MoKα","","0.0853","0.0467","","","0.1216","0.1472","","","","","","0.886","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502907","8.465","0.003","9.532","0.003","19.588","0.007","90","","101.51","0.006","90","","1548.7","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Zhang, Zhi-Wei; Li, Wei-Dong Z","A facile total synthesis of hainanensine via an unusual rearrangement–annulation cascade.","Organic letters","2010","12","8","1649","1651","10.1021/ol1003324","","","0.71073","MoKα","","0.0922","0.0502","","","0.1215","0.1459","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502908","12.266","0.003","12.266","0.003","23.225","0.005","90","","90","","90","","3494.3","1.4","123.1","","","","","","","","","","","8","P 43","P 4cw","78","","","","- C36 H37 Ag Fe N3 O3 P S -","- C36 H36 Ag Fe N3 O3 P S -","- C144 H144 Ag4 Fe4 N12 O12 P4 S4 -","4","1","","Oura, Ichiro; Shimizu, Kenta; Ogata, Kenichi; Fukuzawa, Shin-Ichi","Highly endo-selective and enantioselective 1,3-dipolar cycloaddition of azomethine ylide with alpha-enones catalyzed by a silver(I)/ThioClickFerrophos complex.","Organic letters","2010","12","8","1752","1755","10.1021/ol100336q","","","0.7107","MoKα","","","0.0547","","","","0.1261","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502909","10.478","0.003","10.566","0.003","28.685","0.008","90","","90","","90","","3175.7","1.6","123.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 Fe N3 P S -","- C36 H36 Fe N3 P S -","- C144 H144 Fe4 N12 P4 S4 -","4","1","","Oura, Ichiro; Shimizu, Kenta; Ogata, Kenichi; Fukuzawa, Shin-Ichi","Highly endo-selective and enantioselective 1,3-dipolar cycloaddition of azomethine ylide with alpha-enones catalyzed by a silver(I)/ThioClickFerrophos complex.","Organic letters","2010","12","8","1752","1755","10.1021/ol100336q","","","0.7107","MoKα","","","0.062","","","","0.1965","","","","","","1.08","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502910","8.817","0.002","9.476","0.002","21.33","0.005","90","","90","","90","","1782.1","0.7","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O3 -","- C20 H20 Cl N O3 -","- C80 H80 Cl4 N4 O12 -","4","1","","Oura, Ichiro; Shimizu, Kenta; Ogata, Kenichi; Fukuzawa, Shin-Ichi","Highly endo-selective and enantioselective 1,3-dipolar cycloaddition of azomethine ylide with alpha-enones catalyzed by a silver(I)/ThioClickFerrophos complex.","Organic letters","2010","12","8","1752","1755","10.1021/ol100336q","","","0.7107","MoKα","","","0.0442","","","","0.1057","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502911","42.39","0.003","22.0472","0.0015","42.441","0.003","90","","116.159","0.002","90","","35602","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C210 H216 N26 O10 -","- C210 H216.001 N26 O10 -","- C1680 H1728.01 N208 O80 -","8","2","","Chas, Marcos; Gil-Ramírez, Guzmán; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Ballester, Pablo","Efficient self-sorting of a racemic tetra-urea calix[4]pyrrole into a single heterodimeric capsule.","Organic letters","2010","12","8","1740","1743","10.1021/ol100341q","","","0.71073","MoKα","","0.0972","0.0685","","","0.1714","0.1978","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502912","13.3623","0.001","8.7047","0.0004","13.9012","0.0012","90","","100.174","0.01","90","","1591.5","0.2","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 O4 -","- C21 H16 O4 -","- C84 H64 O16 -","4","1","","Guin, Joyram; Besnard, Céline; Lacour, Jérôme","Synthesis, resolution, and stabilities of a cationic chromenoxanthene [4]helicene.","Organic letters","2010","12","8","1748","1751","10.1021/ol1003466","","","0.71073","MoKα","","0.0664","0.0363","","0.068","0.0556","0.0679","","","","","","0.9429","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502913","7.0476","0.0002","11.747","0.0004","18.4424","0.0006","90","","90","","90","","1526.81","0.08","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-7-isopropyl-3-phenyl-2,3-dihydroimidazo[5,1-b]oxazolium iodide","","","- C15 H19 I N2 O -","- C15 H19 I N2 O -","- C60 H76 I4 N8 O4 -","4","1","","Yoshida, Kazuhiro; Horiuchi, Shingo; Takeichi, Tomoko; Shida, Hiroaki; Imamoto, Tsuneo; Yanagisawa, Akira","Bicyclic imidazoles for modular synthesis of chiral imidazolium salts.","Organic letters","2010","12","8","1764","1767","10.1021/ol1003737","","","0.71073","MoKα","","0.0164","0.0158","","","0.0343","0.0345","","","","","","1.372","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502914","9.2702","0.0007","15.574","0.0012","22.6712","0.0017","90","","90","","90","","3273.1","0.4","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[(R,R)-2,6-Bis(5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazolium-2-yl)lutidine]chloronickel tetrafluoroborate","","","- C32 H31 B Cl3 F4 N5 Ni -","- C32 H31 B Cl3 F4 N5 Ni -","- C128 H124 B4 Cl12 F16 N20 Ni4 -","4","1","","Yoshida, Kazuhiro; Horiuchi, Shingo; Takeichi, Tomoko; Shida, Hiroaki; Imamoto, Tsuneo; Yanagisawa, Akira","Bicyclic imidazoles for modular synthesis of chiral imidazolium salts.","Organic letters","2010","12","8","1764","1767","10.1021/ol1003737","","","0.71073","MoKα","","0.0773","0.053","","","0.1322","0.1445","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502915","6.25173","0.00011","10.8641","0.0002","32.1254","0.0006","90","","94.065","0.001","90","","2176.45","0.07","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3S*,4R*)-(E)-3,4-dimethyl-1-phenyl-3-pivaloyloxy-6-(trimethylsilyl)-1-hexen-5-yn","","- C22 H32 O2 Si -","- C22 H32 O2 Si -","- C88 H128 O8 Si4 -","4","1","","Yatsumonji, Yasutaka; Sugita, Takenori; Tsubouchi, Akira; Takeda, Takeshi","Preparation of syn-tertiary homoallylic alcohols utilizing allenyltitanocenes generated by reductive titanation of gamma-trimethylsilylpropargylic carbonates.","Organic letters","2010","12","9","1968","1971","10.1021/ol100395n","","","1.54187","CuKα","","0.0493","0.0458","","","0.1147","0.1169","","","","","","1.098","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502916","10.1139","0.0003","11.3708","0.0004","10.8402","0.0004","90","","98.848","0.002","90","","1231.82","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3R*,4S*)-3-Methyl-4-(4-trifluoromethylphenyl)-4-pentanolide","","- C13 H13 F3 O2 -","- C13 H13 F3 O2 -","- C52 H52 F12 O8 -","4","1","","Yatsumonji, Yasutaka; Sugita, Takenori; Tsubouchi, Akira; Takeda, Takeshi","Preparation of syn-tertiary homoallylic alcohols utilizing allenyltitanocenes generated by reductive titanation of gamma-trimethylsilylpropargylic carbonates.","Organic letters","2010","12","9","1968","1971","10.1021/ol100395n","","","1.54187","CuKα","","0.0552","0.0516","","","0.133","0.1359","","","","","","1.081","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502917","14.843","0.0003","24.4118","0.0005","32.8037","0.0006","90","","95.254","0.001","90","","11836.3","0.4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C119.5 H174 N8 O23.5 -","- C119.5 H174 N8 O23.5 -","- C478 H696 N32 O94 -","4","0.5","","Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari","Piperazine bridged resorcinarene cages.","Organic letters","2010","12","7","1392","1395","10.1021/ol100407f","","","0.71073","MoKα","","0.1325","0.0729","","","0.1435","0.1708","","","","","","1.02","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502918","14.8499","0.0002","23.0759","0.0003","34.3415","0.0005","90","","99.455","0.001","90","","11608.1","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C117.5 H170.9 N8 O21.5 -","- C117.5 H170.9 N8 O21.49 -","- C470 H683.6 N32 O85.96 -","4","1","","Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari","Piperazine bridged resorcinarene cages.","Organic letters","2010","12","7","1392","1395","10.1021/ol100407f","","","0.71073","MoKα","","0.159","0.1064","","","0.2545","0.2919","","","","","","1.055","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502919","18.189","0.0004","10.0277","0.0002","9.4674","0.0002","90","","93.858","0.002","90","","1722.88","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Saha, Pipas; Reddy, U. C.; Bondalapati, S.; Saikia, Anil K.","A novel synthesis of oxabicyclo[3.3.1]nonanone via (3,5)-oxonium-ene reaction.","Organic letters","2010","12","8","1824","1826","10.1021/ol1004092","","","0.71073","MoKα","","0.088","0.0507","","","0.1505","0.166","","","","","","0.993","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502920","13.341","0.004","14.609","0.005","16.419","0.009","105.126","0.014","112.399","0.014","103.261","0.01","2655","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C53.5 H45.5 N6.5 O7.5 Zn -","- C53.5 H45.5 N6.5 O7.5 Zn -","- C107 H91 N13 O15 Zn2 -","2","1","","Zhou, Zaichun; Cao, Chenzhong; Liu, Qiuhua; Jiang, Rongqing","Hybrid orbital deformation (HOD) effect and spectral red-shift property of nonplanar porphyrin.","Organic letters","2010","12","8","1780","1783","10.1021/ol100434w","","","0.71073","MoKα","","0.0799","0.0597","","","0.1939","0.2044","","","","","","1.027","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502921","10.7478","0.0002","12.6636","0.0003","26.7573","0.0006","90","","90","","90","","3641.82","0.14","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","complex4","complex4","","- C17 H28 Cl N2 Rh -","- C17 H28 Cl N2 Rh -","- C136 H224 Cl8 N16 Rh8 -","8","1","","Kim, Min; Chang, Sukbok","Rhodium(NHC)-catalyzed amination of aryl bromides.","Organic letters","2010","12","7","1640","1643","10.1021/ol100437j","","","0.71073","MoKα","","0.035","0.0287","","","0.0645","0.0668","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502922","21.878","0.0014","8.1149","0.0005","12.6652","0.0008","90","","105.15","0.001","90","","2170.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","08228a","","","- C20 H30 N2 O4 S Si -","- C20 H30 N2 O4 S Si -","- C80 H120 N8 O16 S4 Si4 -","4","1","","Dekorver, Kyle A.; Hsung, Richard P.; Lohse, Andrew G.; Zhang, Yu","A divergent mechanistic course of Pd(0)-catalyzed aza-Claisen rearrangement and aza-Rautenstrauch-type cyclization of N-allyl ynamides.","Organic letters","2010","12","8","1840","1843","10.1021/ol100446p","","","0.71073","MoKα","","0.0437","0.0344","","","0.0906","0.0946","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502923","8.5547","0.0009","10.0913","0.0011","11.0298","0.0012","62.869","0.001","70.922","0.001","79.74","0.001","800.39","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","10025a","","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C36 H34 N2 O4 S2 -","2","1","","Dekorver, Kyle A.; Hsung, Richard P.; Lohse, Andrew G.; Zhang, Yu","A divergent mechanistic course of Pd(0)-catalyzed aza-Claisen rearrangement and aza-Rautenstrauch-type cyclization of N-allyl ynamides.","Organic letters","2010","12","8","1840","1843","10.1021/ol100446p","","","0.71073","MoKα","","0.0513","0.0368","","","0.0866","0.0952","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502924","29.021","0.005","10.712","0.005","49.322","0.005","90","0.005","98.552","0.005","90","0.005","15162","8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C134 H149 N9 Zn2 -","- C134 H149 N9 Zn2 -","- C536 H596 N36 Zn8 -","4","0.5","","Maeda, Chihiro; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of meso,meso'-pyrrole-bridged diporphyrins by Cu(I)-mediated annulation.","Organic letters","2010","12","8","1820","1823","10.1021/ol100448x","","","0.71069","MoKα","","0.153","0.093","","","0.2347","0.2553","","","","","","0.93","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502925","7.206","0.0011","7.0551","0.0011","11.5524","0.0017","90","","97.855","0.003","90","","581.8","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C24 H30 N2 O10 -","2","1","","Tong, Xiao-Gang; Zhou, Li-Li; Wang, Yue-Hu; Xia, Chengfeng; Wang, Ye; Liang, Min; Hou, Fan-Fan; Cheng, Yong-Xian","Acortatarins A and B, two novel antioxidative spiroalkaloids with a naturally unusual morpholine motif from Acorus tatarinowii.","Organic letters","2010","12","8","1844","1847","10.1021/ol100451p","","","0.71073","MoKα","","0.0417","0.0403","","","0.1057","0.1068","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502926","7.3472","0.0003","9.8722","0.0004","26.8795","0.001","90","","90","","90","","1949.65","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Talnetant","3-Hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","Rohbogner, Christoph J.; Wirth, Stefan; Knochel, Paul","Phosphorodiamidate-directed metalation of N-heterocycles using Mg- and Zn-TMP bases.","Organic letters","2010","12","9","1984","1987","10.1021/ol100453x","","x-ray","0.71073","MoKα","","0.0413","0.0297","","","0.0597","0.0619","","","","","","0.932","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502927","10.2499","0.0004","10.0927","0.0004","19.7258","0.0008","90","","98.197","0.004","90","","2019.77","0.14","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-(3-{[bis(dimethylamino)phosphoryl]oxy}pyridin-4-yl) phenyl trifluoromethanesulfonate","","- C16 H19 F3 N3 O5 P S -","- C16 H19 F3 N3 O5 P S -","- C64 H76 F12 N12 O20 P4 S4 -","4","1","","Rohbogner, Christoph J.; Wirth, Stefan; Knochel, Paul","Phosphorodiamidate-directed metalation of N-heterocycles using Mg- and Zn-TMP bases.","Organic letters","2010","12","9","1984","1987","10.1021/ol100453x","","x-ray","0.71073","MoKα","","0.0574","0.0359","","","0.083","0.088","","","","","","0.911","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502928","13.619","0.003","11.209","0.002","14.083","0.003","90","","94.89","0.03","90","","2142","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-{[bis(dimethylamino)phosphoryl]oxy}-2-phenylquinoline-4-carboxylate","","- C22 H26 N3 O4 P -","- C22 H26 N3 O4 P -","- C88 H104 N12 O16 P4 -","4","1","","Rohbogner, Christoph J.; Wirth, Stefan; Knochel, Paul","Phosphorodiamidate-directed metalation of N-heterocycles using Mg- and Zn-TMP bases.","Organic letters","2010","12","9","1984","1987","10.1021/ol100453x","","x-ray","0.71073","MoKα","","0.0737","0.0438","","","0.102","0.1153","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502929","14.326","0.005","17.092","0.005","17.164","0.005","89.769","0.005","70.447","0.005","84.337","0.005","3939","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H62 N16 O33 Pd2 -","- C64 H62 N16 O33 Pd2 -","- C128 H124 N32 O66 Pd4 -","2","1","","Peinador, Carlos; Pía, Elena; Blanco, Víctor; García, Marcos D; Quintela, José M","Complexation of pyrene in aqueous solution with a self-assembled palladium metallocycle.","Organic letters","2010","12","7","1380","1383","10.1021/ol1004577","","","0.71073","MoKα","","0.0818","0.068","","","0.1678","0.1807","","","","","","0.916","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502930","11.4585","0.0008","15.7832","0.0008","11.6608","0.0008","90","","118.889","0.005","90","","1846.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C80 H100 N4 O16 -","4","1","","Dunet, Julie; Lebeuf, Raphaël; Bose, Gopal; Robert, Frédéric; Landais, Yannick","Straightforward assembly of the octahydroisoquinoline core of morphinan alkaloids.","Organic letters","2010","12","10","2178","2181","10.1021/ol1004627","","","0.71073","MoKα","","0.111","0.0787","","","0.1534","0.1708","","","","","","1.162","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502931","11.1057","0.0007","26.7309","0.0015","8.1244","0.0004","90","","96.958","0.004","90","","2394.1","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N3 O7 -","- C26 H23 N3 O7 -","- C104 H92 N12 O28 -","4","1","","Dunet, Julie; Lebeuf, Raphaël; Bose, Gopal; Robert, Frédéric; Landais, Yannick","Straightforward assembly of the octahydroisoquinoline core of morphinan alkaloids.","Organic letters","2010","12","10","2178","2181","10.1021/ol1004627","","","1.54178","CuKα","","0.0693","0.0431","","","0.0982","0.1118","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502932","10.652","","12.569","","15.424","","70.89","","80.85","","72.13","","1853.16","","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O4 -","- C21.005 H23.28 N0.975 O3.77 -","- C84.02 H93.12 N3.9 O15.08 -","4","2","","Dunet, Julie; Lebeuf, Raphaël; Bose, Gopal; Robert, Frédéric; Landais, Yannick","Straightforward assembly of the octahydroisoquinoline core of morphinan alkaloids.","Organic letters","2010","12","10","2178","2181","10.1021/ol1004627","","","1.54178","CuKα","","0.0888","0.0735","","","0.219","0.2611","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502933","5.3913","0.0008","10.1972","0.0014","12.9979","0.0019","111.41","0.002","98.712","0.002","88.915","0.002","657.07","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C30 H34 N2 O6 -","2","1","","Flores, Melissa A.; Bode, Jeffrey W.","Chemoselective protection of alpha-ketoacids by direct annulations with oximes.","Organic letters","2010","12","9","1924","1927","10.1021/ol100467t","","","0.71073","MoKα","","0.0699","0.0485","","","0.1325","0.1462","","","","","","0.983","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502934","8.2156","0.0008","17.9778","0.0018","11.0456","0.0011","90","","106.053","0.002","90","","1567.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O4 S -","- C17 H14 O4 S -","- C68 H56 O16 S4 -","4","1","","Gao, Meng; Yang, Yan; Wu, Yan-Dong; Deng, Cong; Cao, Li-Ping; Meng, Xiang-Gao; Wu, An-Xin","Formation of unsymmetrical 1,4-enediones via a focusing domino strategy: cross-coupling of 1,3-dicarbonyl compounds and methyl ketones or terminal aryl alkenes.","Organic letters","2010","12","8","1856","1859","10.1021/ol100473f","","","0.71073","MoKα","","0.0822","0.0672","","","0.1526","0.1617","","","","","","1.143","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502935","11.9328","0.0007","6.1643","0.0003","25.0228","0.0015","90","","91.946","0.005","90","","1839.55","0.18","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H17 N -","- C29 H17 N -","- C116 H68 N4 -","4","1","","Tatar, Ameneh; Cejka, Jan; Král, Vladimír; Dolenský, Bohumil","Spiro Tröger's base derivatives: another structural phoenix?","Organic letters","2010","12","8","1872","1875","10.1021/ol1004774","","","1.54184","CuKα","","0.0577","0.047","","0.1377","0.1299","0.1377","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502936","14.4584","0.0009","12.419","0.0007","12.013","0.0008","90","","107.201","0.007","90","","2060.6","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O4 -","- C27 H22 N2 O4 -","- C108 H88 N8 O16 -","4","1","","Tatar, Ameneh; Cejka, Jan; Král, Vladimír; Dolenský, Bohumil","Spiro Tröger's base derivatives: another structural phoenix?","Organic letters","2010","12","8","1872","1875","10.1021/ol1004774","","","1.5418","CuKα","","0.0806","0.0638","","0.1997","0.1805","0.1997","","","","","","0.9452","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502937","6.792","0.0001","12.2189","0.0002","13.1263","0.0002","90","","90","","90","","1089.36","0.03","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Cl O2 -","- C12 H13 Cl O2 -","- C48 H52 Cl4 O8 -","4","1","","Mukherjee, Santanu; Scopton, Alex P.; Corey, E. J.","Enantioselective pathway for the synthesis of laurenditerpenol.","Organic letters","2010","12","8","1836","1838","10.1021/ol1004802","","","0.71073","MoKα","","0.0329","0.0313","","","0.0873","0.0885","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502938","5.5972","0.0003","22.0274","0.0013","19.8862","0.0011","90","","91.438","0.002","90","","2451","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H24 Cl N O2 -","- C30 H24 Cl N O2 -","- C120 H96 Cl4 N4 O8 -","4","1","","Yu, Xiuzhao; Du, Bo; Wang, Kai; Zhang, Junliang","Highly substituted 2,3-dihydroisoxazoles by Et(3)N-catalyzed tandem reaction of electron-deficient 1,3-conjugated enynes with hydroxylamines.","Organic letters","2010","12","8","1876","1879","10.1021/ol100490y","","","0.71073","MoKα","","0.0486","0.0355","","","0.0749","0.0816","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502939","6.876","0.0002","10.0689","0.0003","11.7443","0.0004","68.416","0.001","73.999","0.001","72.367","0.001","708.08","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C36 H30 N2 O6 -","2","1","","Yu, Xiuzhao; Du, Bo; Wang, Kai; Zhang, Junliang","Highly substituted 2,3-dihydroisoxazoles by Et(3)N-catalyzed tandem reaction of electron-deficient 1,3-conjugated enynes with hydroxylamines.","Organic letters","2010","12","8","1876","1879","10.1021/ol100490y","","","0.71073","MoKα","","0.037","0.0342","","","0.1015","0.1052","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502940","10.252","0.002","7.4707","0.0015","20.115","0.004","90","","100.217","0.006","90","","1516.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br N O3 S -","- C16 H14 Br N O3 S -","- C64 H56 Br4 N4 O12 S4 -","4","1","","Samarakoon, Thiwanka B.; Hur, Moon Y.; Kurtz, Ryan D.; Hanson, Paul R.","A formal [4 + 4] complementary ambiphile pairing reaction: a new cyclization pathway for ortho-quinone methides.","Organic letters","2010","12","10","2182","2185","10.1021/ol100495w","","","1.54178","CuKα","","0.0374","0.0366","","","0.0909","0.0914","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502941","7.9647","0.0019","10.191","0.002","24.5","0.006","90","","90","","90","","1988.6","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N O5 S -","- C19 H20 Br N O5 S -","- C76 H80 Br4 N4 O20 S4 -","4","1","","Samarakoon, Thiwanka B.; Hur, Moon Y.; Kurtz, Ryan D.; Hanson, Paul R.","A formal [4 + 4] complementary ambiphile pairing reaction: a new cyclization pathway for ortho-quinone methides.","Organic letters","2010","12","10","2182","2185","10.1021/ol100495w","","","0.71073","MoKα","","0.0964","0.058","","","0.0966","0.1071","","","","","","0.982","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502942","5.4412","0.001","18.481","0.003","9.1796","0.0016","90","","106.141","0.008","90","","886.7","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H21 Br N O2 P -","- C17 H21 Br N O2 P -","- C34 H42 Br2 N2 O4 P2 -","2","1","","Zhao, Depeng; Mao, Lijuan; Wang, Yuan; Yang, Dongxu; Zhang, Quanliang; Wang, Rui","Catalytic asymmetric hydrophosphinylation of alpha,beta-unsaturated N-acylpyrroles: application of dialkyl phosphine oxides in enantioselective synthesis of chiral phosphine oxides or phosphines.","Organic letters","2010","12","8","1880","1882","10.1021/ol100504h","","","0.71073","MoKα","","0.0732","0.0451","","","0.0884","0.099","","","","","","0.98","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502943","8.809","0.0016","9.2002","0.0017","11.103","0.002","90","","92.499","0.003","90","","899","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O7 -","- C18 H24 N2 O7 -","- C36 H48 N4 O14 -","2","1","","Konishi, Hideyuki; Lam, Tin Yiu; Malerich, Jeremiah P.; Rawal, Viresh H.","Enantioselective alpha-amination of 1,3-dicarbonyl compounds using squaramide derivatives as hydrogen bonding catalysts.","Organic letters","2010","12","9","2028","2031","10.1021/ol1005104","","","0.71073","MoKα","","0.0411","0.0389","","","0.0934","0.0947","","","","","","0.925","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502944","9.573","0.0007","14.186","0.001","16.8432","0.0012","90","","90","","90","","2287.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O4 S2 -","- C22 H30 O4 S2 -","- C88 H120 O16 S8 -","4","1","","Chen, Qing-An; Dong, Xiang; Chen, Mu-Wang; Wang, Duo-Sheng; Zhou, Yong-Gui; Li, Yu-Xue","Highly effective and diastereoselective synthesis of axially chiral bis-sulfoxide ligands via oxidative aryl coupling.","Organic letters","2010","12","9","1928","1931","10.1021/ol100536e","","","0.71073","MoKα","","0.0469","0.0408","","","0.094","0.0965","","","","","","0.997","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502945","9.1721","0.0003","14.0916","0.0005","16.1791","0.0006","90","","90","","90","","2091.14","0.13","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H10 B I O4 -","- C8 H10 B I O4 -","- C64 H80 B8 I8 O32 -","8","1","","Al-Zoubi, Raed M; Hall, Dennis G.","Mild silver(I)-mediated regioselective iodination and bromination of arylboronic acids.","Organic letters","2010","12","11","2480","2483","10.1021/ol100537x","","","0.71073","MoKα","","0.0186","0.0179","","","0.0459","0.0463","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502946","7.3184","0.0007","9.7046","0.001","9.7487","0.001","60.4397","0.0009","77.0255","0.001","86.2786","0.001","586.02","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2-iodo-3,4,5-trimethoxyphenyl)boronic acid","","- C9 H12 B I O5 -","- C9 H12 B I O5 -","- C18 H24 B2 I2 O10 -","2","1","","Al-Zoubi, Raed M; Hall, Dennis G.","Mild silver(I)-mediated regioselective iodination and bromination of arylboronic acids.","Organic letters","2010","12","11","2480","2483","10.1021/ol100537x","","","0.71073","MoKα","","0.0172","0.0162","","","0.0412","0.042","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502947","10.092","0.0006","11.0553","0.0007","19.3868","0.0012","90","","97.512","0.003","90","","2144.4","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 N O Si -","- C23 H31 N O Si -","- C92 H124 N4 O4 Si4 -","4","1","","Lamas, Marie-Céline; Vaillard, Santiago E.; Wibbeling, Birgit; Studer, Armido","Radical amination with trimethylstannylated benzophenone imine.","Organic letters","2010","12","9","2072","2075","10.1021/ol1005455","","","1.54178","CuKα","","0.0692","0.0523","","","0.1278","0.1391","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502948","11.701","0.007","5.714","0.003","17.818","0.011","90","","96.491","0.009","90","","1183.7","1.2","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Nakamura, Itaru; Okamoto, Masashi; Terada, Masahiro","Gold-catalyzed cyclization and subsequent arylidene group transfer of O-propioloyl oximes.","Organic letters","2010","12","11","2453","2455","10.1021/ol100581m","","","0.7107","MoKα","","","0.0398","","","","0.0881","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502949","28.597","0.006","10.465","0.002","29.068","0.006","90","","95.36","0.03","90","","8661","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H111 F12 N5 O22 P2 -","- C82 H111 F12 N5 O22 P2 -","- C328 H444 F48 N20 O88 P8 -","4","0.5","","Su, Yong-Sheng; Chen, Chuan-Feng","Novel anthracene-based cylindrical macrotricyclic polyether: powerful host for bispyridinium dications.","Organic letters","2010","12","8","1888","1891","10.1021/ol100589u","","","0.71073","MoKα","","0.0718","0.065","","","0.1599","0.1662","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502950","10.5785","0.0015","12.5308","0.0017","20.433","0.004","97.683","0.011","97.63","0.011","111.007","0.007","2457.6","0.7","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C85 H112 Cl3 F12 N5 O21 P2 -","- C85 H112 Cl3 F12 N5 O21 P2 -","- C85 H112 Cl3 F12 N5 O21 P2 -","1","1","","Su, Yong-Sheng; Chen, Chuan-Feng","Novel anthracene-based cylindrical macrotricyclic polyether: powerful host for bispyridinium dications.","Organic letters","2010","12","8","1888","1891","10.1021/ol100589u","","","0.71073","MoKα","","0.1061","0.0885","","","0.2157","0.2293","","","","","","1.242","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502951","11.732","0.002","12.02","0.002","18.224","0.003","79.289","0.005","85.127","0.006","88.981","0.006","2516","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H108 F12 N4 O20 P2 -","- C86 H108 F12 N4 O20 P2 -","- C86 H108 F12 N4 O20 P2 -","1","0.5","","Su, Yong-Sheng; Chen, Chuan-Feng","Novel anthracene-based cylindrical macrotricyclic polyether: powerful host for bispyridinium dications.","Organic letters","2010","12","8","1888","1891","10.1021/ol100589u","","","0.71073","MoKα","","0.0992","0.0754","","","0.204","0.2207","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502952","9.2745","0.0007","5.2059","0.0003","12.1233","0.0007","90","","92.047","0.002","90","","584.97","0.07","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N2 O4 Se -","- C10 H14 N2 O4 Se -","- C20 H28 N4 O8 Se2 -","2","1","","Alexander, Varughese; Choi, Won Jun; Chun, Jeongha; Kim, Hea Ok; Jeon, Ji Hye; Tosh, Dilip K.; Lee, Hyuk Woo; Chandra, Girish; Choi, Jungwon; Jeong, Lak Shin","A new DNA building block, 4'-selenothymidine: synthesis and modification to 4'-seleno-AZT as a potential anti-HIV agent.","Organic letters","2010","12","10","2242","2245","10.1021/ol1005906","","","0.71073","MoKα","","0.0304","0.0251","","","0.0496","0.0548","","","","","","1.136","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502953","10.9132","0.0005","6.9003","0.0003","15.269","0.0007","90","","92.715","0.004","90","","1148.53","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Gimeno, Ana; Medio-Simón, Mercedes; de Arellano, Carmen Ramírez; Asensio, Gregorio; Cuenca, Ana B.","NHC-stabilized gold(I) complexes: suitable catalysts for 6-exo-dig heterocyclization of 1-(o-ethynylaryl)ureas.","Organic letters","2010","12","9","1900","1903","10.1021/ol100595s","","","0.71073","MoKα","","0.0681","0.0361","","","0.0706","0.0746","","","","","","0.83","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502954","10.9222","0.0007","14.706","0.001","9.8615","0.0007","90","","95.711","0.006","90","","1576.11","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C84 H64 N8 O4 -","4","1","","Gimeno, Ana; Medio-Simón, Mercedes; de Arellano, Carmen Ramírez; Asensio, Gregorio; Cuenca, Ana B.","NHC-stabilized gold(I) complexes: suitable catalysts for 6-exo-dig heterocyclization of 1-(o-ethynylaryl)ureas.","Organic letters","2010","12","9","1900","1903","10.1021/ol100595s","","","0.71073","MoKα","","0.091","0.0416","","","0.0627","0.0669","","","","","","0.864","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502955","15.1508","0.0017","6.0052","0.0006","15.6364","0.0017","90","","115.054","0.014","90","","1288.8","0.3","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H29 Cl N2 O2 -","- C32 H29 Cl N2 O2 -","- C64 H58 Cl2 N4 O4 -","2","1","","Wang, Chao; Han, Zhi-Yong; Luo, Hong-Wen; Gong, Liu-Zhu","Highly enantioselective relay catalysis in the three-component reaction for direct construction of structurally complex heterocycles.","Organic letters","2010","12","10","2266","2269","10.1021/ol1006086","","","1.54184","CuKα","","0.0818","0.0392","","","0.0582","0.0651","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502956","15.55","0.06","25.46","0.09","20","0.08","90","","112.81","0.03","90","","7299","5","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C112 H100 N4 Ni O4 -","- C112 H100 N4 Ni O4 -","- C224 H200 N8 Ni2 O8 -","2","1","","Davis, Nicola K. S.; Thompson, Amber L.; Anderson, Harry L.","Bis-anthracene fused porphyrins: synthesis, crystal structure, and near-IR absorption.","Organic letters","2010","12","9","2124","2127","10.1021/ol100619p","","","0.6889","Synchrotron","","0.2626","0.1399","","0.2711","0.1283","0.1283","","","","","","0.9617","","","","has coordinates","288252","2023-12-12","14:26:09",""
"1502957","7.8464","0.0016","7.4777","0.0015","34.944","0.007","90","","92.36","0.03","90","","2048.5","0.7","173","2","173","2","","","101","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","Bicyclic enone","(2R,4aR,E)-methyl 7-(2-(2,4-dinitrophenyl)hydrazono)-8-methyl-4a-vinyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2-carboxylate","","- C21 H24 N4 O6 -","- C21 H24 N4 O6 -","- C84 H96 N16 O24 -","4","1","","Jiao, Lei; Lin, Mu; Zhuo, Lian-Gang; Yu, Zhi-Xiang","Rh(I)-catalyzed [(3 + 2) + 1] cycloaddition of 1-yne/ene-vinylcyclopropanes and CO: homologous Pauson-Khand reaction and total synthesis of (+/-)-alpha-agarofuran.","Organic letters","2010","12","11","2528","2531","10.1021/ol100625e","","","1.54178","CuKα","","0.0802","0.0603","","","0.1577","0.1751","","","","","","1.167","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502958","9.2401","0.0001","35.6299","0.0004","9.4474","0.0001","90","","100.319","0.001","90","","3060","0.06","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C136 H152 N8 O32 -","8","2","","Heidebrecht, Jr, Richard W; Gulledge, Brian; Martin, Stephen F.","Approaches to N-methylwelwitindolinone C isothiocyanate: facile synthesis of the tetracyclic core.","Organic letters","2010","12","11","2492","2495","10.1021/ol1006373","","","0.71073","MoKα","","0.063","0.0433","","","0.0989","0.108","","","","","","0.999","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502959","9.5637","0.0002","15.928","0.0003","10.1072","0.0002","90","","108.491","0.001","90","","1460.15","0.05","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Heidebrecht, Jr, Richard W; Gulledge, Brian; Martin, Stephen F.","Approaches to N-methylwelwitindolinone C isothiocyanate: facile synthesis of the tetracyclic core.","Organic letters","2010","12","11","2492","2495","10.1021/ol1006373","","","0.71073","MoKα","","0.0821","0.0619","","","0.118","0.1247","","","","","","1.129","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502960","8.0751","0.001","17.198","0.002","28.867","0.004","90","","90","","90","","4008.9","0.9","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H20 Br2 S2 Si2 -","- C14 H20 Br2 S2 Si2 -","- C112 H160 Br16 S16 Si16 -","8","1","","Getmanenko, Yulia A.; Tongwa, Paul; Timofeeva, Tatiana V.; Marder, Seth R.","Base-catalyzed halogen dance reaction and oxidative coupling sequence as a convenient method for the preparation of dihalo-bisheteroarenes.","Organic letters","2010","12","9","2136","2139","10.1021/ol1006423","","","0.71073","MoKα","","0.0628","0.0497","","","0.1239","0.1286","","","","","","1.244","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502961","28.649","0.004","7.6936","0.001","18.557","0.002","90","","90","","90","","4090.2","0.9","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H20 Br2 Se2 Si2 -","- C14 Br2 Se2 Si2 -","- C112 Br16 Se16 Si16 -","8","2","","Getmanenko, Yulia A.; Tongwa, Paul; Timofeeva, Tatiana V.; Marder, Seth R.","Base-catalyzed halogen dance reaction and oxidative coupling sequence as a convenient method for the preparation of dihalo-bisheteroarenes.","Organic letters","2010","12","9","2136","2139","10.1021/ol1006423","","","0.71073","MoKα","","0.0585","0.0486","","","0.1198","0.126","","","","","","1.096","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502962","7.609","0.0004","7.8362","0.0004","14.006","0.001","96.084","0.001","91.377","0.001","116.781","0.001","738.91","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H42 Br2 N2 S2 Si2 -","- C24 H42 Br2 N2 S2 Si2 -","- C24 H42 Br2 N2 S2 Si2 -","1","0.5","","Getmanenko, Yulia A.; Tongwa, Paul; Timofeeva, Tatiana V.; Marder, Seth R.","Base-catalyzed halogen dance reaction and oxidative coupling sequence as a convenient method for the preparation of dihalo-bisheteroarenes.","Organic letters","2010","12","9","2136","2139","10.1021/ol1006423","","","0.71073","MoKα","","0.0188","0.0178","","","0.0531","0.0536","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502963","23.99","0.005","23.99","0.005","6.922","0.002","90","","90","","90","","3983.8","1.6","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C12 H18 Br2 N2 S2 Si2 -","- C12 H18 Br2 N2 S2 Si2 -","- C96 H144 Br16 N16 S16 Si16 -","8","1","","Getmanenko, Yulia A.; Tongwa, Paul; Timofeeva, Tatiana V.; Marder, Seth R.","Base-catalyzed halogen dance reaction and oxidative coupling sequence as a convenient method for the preparation of dihalo-bisheteroarenes.","Organic letters","2010","12","9","2136","2139","10.1021/ol1006423","","","0.71073","MoKα","","0.1593","0.064","","","0.1397","0.1839","","","","","","0.779","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502964","7.8972","0.0006","7.9276","0.0006","9.8529","0.0007","99.612","0.001","102.278","0.001","92.55","0.001","592.23","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H4 F2 I2 N2 -","- C10 H4 F2 I2 N2 -","- C20 H8 F4 I4 N4 -","2","1","","Getmanenko, Yulia A.; Tongwa, Paul; Timofeeva, Tatiana V.; Marder, Seth R.","Base-catalyzed halogen dance reaction and oxidative coupling sequence as a convenient method for the preparation of dihalo-bisheteroarenes.","Organic letters","2010","12","9","2136","2139","10.1021/ol1006423","","","0.71073","MoKα","","0.0212","0.0201","","","0.0521","0.0527","","","","","","1.106","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502965","11.2211","0.0006","11.8189","0.0006","13.4426","0.0007","110.193","0.003","110.006","0.003","92.35","0.003","1546.43","0.15","110","","110","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C80 H76 N12 -","4","2","","Behof, William J.; Wang, Dongchuan; Niu, Weijun; Gorman, Christopher B.","Cascade cyclization to produce a series of fused, aromatic molecules.","Organic letters","2010","12","9","2146","2148","10.1021/ol100656d","","","0.71073","MoKα","","0.0914","0.0488","","","0.1059","0.1236","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502966","11.0761","0.0002","17.927","0.0004","22.0523","0.0005","90","","96.632","0.0011","90","","4349.43","0.16","110","","110","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N4 -","- C29 H26 N4 -","- C232 H208 N32 -","8","2","","Behof, William J.; Wang, Dongchuan; Niu, Weijun; Gorman, Christopher B.","Cascade cyclization to produce a series of fused, aromatic molecules.","Organic letters","2010","12","9","2146","2148","10.1021/ol100656d","","","0.71073","MoKα","","0.092","0.0582","","","0.1552","0.1754","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502967","9.0672","0.0018","21.933","0.004","7.2346","0.0014","90","","110.83","0.03","90","","1344.7","0.5","133","2","133","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H17 N O P -","- C14 H17 N O P -","- C56 H68 N4 O4 P4 -","4","1","","Ackermann, Lutz; Kapdi, Anant R.; Schulzke, Carola","Air-stable secondary phosphine oxide or chloride (Pre)ligands for cross-couplings of unactivated alkyl chlorides.","Organic letters","2010","12","10","2298","2301","10.1021/ol100658y","","","0.71073","MoKα","","0.0524","0.0442","","","0.1061","0.1109","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502968","11.809","0.002","8.9905","0.0018","23.562","0.005","90","","94.76","0.03","90","","2492.9","0.8","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cl10 O6 P2 Pd2 -","- C40 H52 Cl10 O6 P2 Pd2 -","- C80 H104 Cl20 O12 P4 Pd4 -","2","0.5","","Ackermann, Lutz; Kapdi, Anant R.; Schulzke, Carola","Air-stable secondary phosphine oxide or chloride (Pre)ligands for cross-couplings of unactivated alkyl chlorides.","Organic letters","2010","12","10","2298","2301","10.1021/ol100658y","","","0.71073","MoKα","","0.0977","0.0629","","","0.1234","0.1351","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502969","9.1373","0.0018","14.932","0.003","12.95","0.003","90","","102.16","0.03","90","","1727.2","0.7","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl O2 P -","- C18 H22 Cl O2 P -","- C72 H88 Cl4 O8 P4 -","4","1","","Ackermann, Lutz; Kapdi, Anant R.; Schulzke, Carola","Air-stable secondary phosphine oxide or chloride (Pre)ligands for cross-couplings of unactivated alkyl chlorides.","Organic letters","2010","12","10","2298","2301","10.1021/ol100658y","","","0.71073","MoKα","","0.0317","0.0291","","","0.0767","0.0784","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502970","7.3352","0.0015","18.878","0.004","13.81","0.003","90","","93.06","0.03","90","","1909.6","0.7","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 Cl O3 P -","- C19 H24 Cl O3 P -","- C76 H96 Cl4 O12 P4 -","4","1","","Ackermann, Lutz; Kapdi, Anant R.; Schulzke, Carola","Air-stable secondary phosphine oxide or chloride (Pre)ligands for cross-couplings of unactivated alkyl chlorides.","Organic letters","2010","12","10","2298","2301","10.1021/ol100658y","","","0.71073","MoKα","","0.0391","0.0295","","","0.0671","0.0701","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502971","8.0855","0.0001","8.0855","0.0001","22.4109","0.0002","90","","90","","120","","1268.83","0.02","150","2","150","2","","","","","","","synthesis as described","5","P 32","P 32","145","RajanBabu 1646","","","- C17 H18.78 Br N3 O2.39 -","- C17 H18.776 Br N3 O2.388 -","- C51 H56.328 Br3 N9 O7.164 -","3","1","","Lim, Hwan Jung; Gallucci, Judith C.; RajanBabu, T. V.","Annulated diketopiperazines from dipeptides or Schöllkopf reagents via tandem cyclization-intramolecular N-arylation.","Organic letters","2010","12","9","2162","2165","10.1021/ol100663y","","x-ray","0.71073","MoKα","","0.024","0.0212","","","0.0483","0.0494","","","","","","1.036","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1502972","6.67","0.003","7.257","0.003","20.878","0.009","90","","94.83","0.008","90","","1007","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-thiazolyl MIDA boronate","","","- C8 H9 B N2 O4 S -","- C8 H9 B N2 O4 S -","- C32 H36 B4 N8 O16 S4 -","4","1","","Dick, Graham R.; Knapp, David M.; Gillis, Eric P.; Burke, Martin D.","General method for synthesis of 2-heterocyclic N-methyliminodiacetic acid boronates.","Organic letters","2010","12","10","2314","2317","10.1021/ol100671v","","","0.71073","MoKα","","0.05","0.0375","","","0.0944","0.1016","","","","","","1.05","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502973","6.437","0.0005","7.1968","0.0006","22.2006","0.0017","90","","91.305","0.005","90","","1028.19","0.14","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-pyrazinyl MIDA boronate","","","- C9 H10 B N3 O4 -","- C9 H10 B N3 O4 -","- C36 H40 B4 N12 O16 -","4","1","","Dick, Graham R.; Knapp, David M.; Gillis, Eric P.; Burke, Martin D.","General method for synthesis of 2-heterocyclic N-methyliminodiacetic acid boronates.","Organic letters","2010","12","10","2314","2317","10.1021/ol100671v","","","0.71073","MoKα","","0.0459","0.0325","","","0.0738","0.0802","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502974","6.715","0.005","17.086","0.005","16.786","0.005","90","0.005","95.45","0.005","90","0.005","1917.2","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C88 H84 N4 O12 -","4","1","","Wan, Changfeng; Zhang, Jintang; Wang, Sujing; Fan, Jinmin; Wang, Zhiyong","Facile synthesis of polysubstituted oxazoles via a copper-catalyzed tandem oxidative cyclization.","Organic letters","2010","12","10","2338","2341","10.1021/ol100688c","","","0.71073","MoKα","","0.1063","0.0384","","","0.0558","0.0595","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502975","8.276","0.008","20.8","0.02","9.536","0.009","90","","90","","90","","1642","3","156","2","156","2","","","","","","","","2","C c m 21","C 2c -2c","36","","","","- C24 H8 -","- C24 H8 -","- C96 H32 -","4","0.5","","Suzuki, Mitsuharu; Comito, Angelo; Khan, Saeed I.; Rubin, Yves","Nanochannel array within a multilayered network of a planarized dehydro[24]annulene.","Organic letters","2010","12","10","2346","2349","10.1021/ol1006967","","","0.71073","MoKα","","0.0874","0.0434","","","0.0883","0.1049","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502976","12.4522","0.0009","12.4742","0.0009","19.6932","0.0015","90","","90","","90","","3059","0.4","100","2","100","2","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- C36 H24 O8 -","- C36 H24 O8 -","- C144 H96 O32 -","4","0.25","","Suzuki, Mitsuharu; Comito, Angelo; Khan, Saeed I.; Rubin, Yves","Nanochannel array within a multilayered network of a planarized dehydro[24]annulene.","Organic letters","2010","12","10","2346","2349","10.1021/ol1006967","","","0.71073","MoKα","","0.0412","0.0352","","","0.0892","0.0947","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502977","7.1356","0.0009","7.5011","0.0009","11.3348","0.0014","83.015","0.002","89.82","0.001","79.081","0.002","591.17","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32.3 H16 O4 -","- C32.3 H16 O4 -","- C32.3 H16 O4 -","1","0.5","","Suzuki, Mitsuharu; Comito, Angelo; Khan, Saeed I.; Rubin, Yves","Nanochannel array within a multilayered network of a planarized dehydro[24]annulene.","Organic letters","2010","12","10","2346","2349","10.1021/ol1006967","","","0.71073","MoKα","","0.0521","0.0442","","","0.1134","0.1197","","","","","","1.047","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502978","10.4772","0.0017","10.4772","0.0017","19.925","0.004","90","","90","","120","","1894.2","0.6","100","2","100","2","","","","","","","","2","P 31 2 1","P 31 2""","152","","","","- C18 H6 -","- C18 H6 -","- C108 H36 -","6","1","","Suzuki, Mitsuharu; Comito, Angelo; Khan, Saeed I.; Rubin, Yves","Nanochannel array within a multilayered network of a planarized dehydro[24]annulene.","Organic letters","2010","12","10","2346","2349","10.1021/ol1006967","","","0.71073","MoKα","","0.0605","0.0392","","","0.1191","0.1284","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502979","14.0215","0.0004","14.0215","0.0004","8.8612","0.0003","90","","90","","90","","1742.13","0.09","100","2","100","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","4-Azi-1-fluoroadamantane","","- C10 H13 F N2 -","- C10 H13 F N2 -","- C80 H104 F8 N16 -","8","1","","Knoll, Wolfgang; Mieusset, Jean-Luc; Arion, Vladimir B.; Brecker, Lothar; Brinker, Udo H.","2H-Azirines from a concerted addition of alkylcarbenes to nitrile groups.","Organic letters","2010","12","10","2366","2369","10.1021/ol100703r","","","0.71073","MoKα","","0.036","0.0298","","","0.0802","0.0847","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502980","6.4202","0.0003","27.8217","0.0011","6.469","0.0002","90","","97.081","0.002","90","","1146.69","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(2-trans-Cyanoethenyl)-5'-fluoro-spiro[2-H-azirine-2,2'- tricyclo[3.3.1.1^3',7'^]decane","","- C14 H15 F N2 -","- C14 H15 F N2 -","- C56 H60 F4 N8 -","4","1","","Knoll, Wolfgang; Mieusset, Jean-Luc; Arion, Vladimir B.; Brecker, Lothar; Brinker, Udo H.","2H-Azirines from a concerted addition of alkylcarbenes to nitrile groups.","Organic letters","2010","12","10","2366","2369","10.1021/ol100703r","","","0.71073","MoKα","","0.0503","0.0417","","","0.1065","0.1112","","","","","","1.142","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502981","15.213","0.003","14.512","0.003","25.763","0.005","90","","104.71","0.03","90","","5501","2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H46 F18 N2 O5 -","- C58 H46 F18 N2 O5 -","- C232 H184 F72 N8 O20 -","4","1","","Li, Yan; Li, Cheng; Yue, Wan; Jiang, Wei; Kopecek, Ralf; Qu, Jianqiang; Wang, Zhaohui","Direct functionalization of polycyclic aromatics via radical perfluoroalkylation.","Organic letters","2010","12","10","2374","2377","10.1021/ol1007197","","","0.71073","MoKα","","0.1654","0.0945","","","0.1938","0.2339","","","","","","1.119","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502982","19.0062","0.0012","11.4277","0.0013","10.594","0.002","90","","105.056","0.008","90","","2222","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H9 F17 -","- C24 H9 F17 -","- C96 H36 F68 -","4","1","","Li, Yan; Li, Cheng; Yue, Wan; Jiang, Wei; Kopecek, Ralf; Qu, Jianqiang; Wang, Zhaohui","Direct functionalization of polycyclic aromatics via radical perfluoroalkylation.","Organic letters","2010","12","10","2374","2377","10.1021/ol1007197","","","1.54186","CuKα","","0.1164","0.0855","","","0.1953","0.2132","","","","","","1.129","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502983","8.0518","0.0006","15.3345","0.0012","8.7652","0.0007","90","","96.317","0.002","90","","1075.67","0.14","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H11 N S2 -","- C11 H11 N S2 -","- C44 H44 N4 S8 -","4","1","","Gontier, Elodie; Bellec, Nathalie; Brignou, Pierre; Gohier, Arnaud; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Pyridyldithiafulvenes as precursors of coordination-driven self-assembled redox active macrocycle.","Organic letters","2010","12","10","2386","2389","10.1021/ol1007422","","x-ray","0.71073","MoKα","","0.0334","0.0313","","","0.0811","0.0825","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502984","12.615","0.003","6.3425","0.0013","14.48","0.003","90","","113.24","0.006","90","","1064.5","0.4","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N S2 -","- C11 H11 N S2 -","- C44 H44 N4 S8 -","4","1","","Gontier, Elodie; Bellec, Nathalie; Brignou, Pierre; Gohier, Arnaud; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Pyridyldithiafulvenes as precursors of coordination-driven self-assembled redox active macrocycle.","Organic letters","2010","12","10","2386","2389","10.1021/ol1007422","","x-ray","0.71073","MoKα","","0.03","0.0288","","","0.0703","0.0711","","","","","","1.119","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502985","16.1903","0.0019","9.7742","0.0009","13.6344","0.0016","90","","105.714","0.007","90","","2077","0.4","100","2","100","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 S4 -","- C22 H20 N2 S4 -","- C88 H80 N8 S16 -","4","0.5","","Gontier, Elodie; Bellec, Nathalie; Brignou, Pierre; Gohier, Arnaud; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Pyridyldithiafulvenes as precursors of coordination-driven self-assembled redox active macrocycle.","Organic letters","2010","12","10","2386","2389","10.1021/ol1007422","","x-ray","0.71073","MoKα","","0.0758","0.0599","","","0.1447","0.1575","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502986","9.5582","0.0016","11.926","0.002","18.283","0.003","90","","92.333","0.009","90","","2082.4","0.6","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 S4 -","- C22 H20 N2 S4 -","- C88 H80 N8 S16 -","4","1","","Gontier, Elodie; Bellec, Nathalie; Brignou, Pierre; Gohier, Arnaud; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Pyridyldithiafulvenes as precursors of coordination-driven self-assembled redox active macrocycle.","Organic letters","2010","12","10","2386","2389","10.1021/ol1007422","","x-ray","0.71073","MoKα","","0.0701","0.0456","","","0.1089","0.1203","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502987","18.067","0.004","19.602","0.004","24.107","0.004","90","","105.061","0.005","90","","8244","3","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Mo2 N4 O8 S8 -","- C52 H40 Mo2 N4 O8 S8 -","- C208 H160 Mo8 N16 O32 S32 -","4","0.5","","Gontier, Elodie; Bellec, Nathalie; Brignou, Pierre; Gohier, Arnaud; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Pyridyldithiafulvenes as precursors of coordination-driven self-assembled redox active macrocycle.","Organic letters","2010","12","10","2386","2389","10.1021/ol1007422","","x-ray","0.71073","MoKα","","0.0909","0.0544","","","0.1244","0.1363","","","","","","0.922","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502988","8.2205","0.0007","12.0272","0.001","11.6896","0.0009","90","","105.839","0.001","90","","1111.87","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 B12 F12 N8 -","- C8 H14 B12 F12 N8 -","- C16 H28 B24 F24 N16 -","2","0.5","","Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Ammon, Herman L.; Peryshkov, Dmitry V.; Strauss, Steven H.","Bridged heterocyclium dicationic closo-icosahedral perfluoroborane, borane, and carborane salts via aqueous, open-air benchtop synthesis.","Organic letters","2010","12","12","2714","2717","10.1021/ol100752y","","","0.71073","MoKα","","0.0726","0.0483","","","0.1388","0.1559","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502989","8.3183","0.0002","13.3108","0.0003","10.9935","0.0003","90","","110.847","0.001","90","","1137.55","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 B12 F12 N8 -","- C8 H14 B12 F12 N8 -","- C16 H28 B24 F24 N16 -","2","0.5","","Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Ammon, Herman L.; Peryshkov, Dmitry V.; Strauss, Steven H.","Bridged heterocyclium dicationic closo-icosahedral perfluoroborane, borane, and carborane salts via aqueous, open-air benchtop synthesis.","Organic letters","2010","12","12","2714","2717","10.1021/ol100752y","","","0.71073","MoKα","","0.0539","0.0385","","","0.1023","0.1129","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502990","17.066","0.0013","14.6477","0.0012","17.8123","0.0012","90","","90","","90","","4452.7","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 B12 F12 N8 -","- C8 H12 B12 F12 N8 -","- C64 H96 B96 F96 N64 -","8","1","","Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Ammon, Herman L.; Peryshkov, Dmitry V.; Strauss, Steven H.","Bridged heterocyclium dicationic closo-icosahedral perfluoroborane, borane, and carborane salts via aqueous, open-air benchtop synthesis.","Organic letters","2010","12","12","2714","2717","10.1021/ol100752y","","","1.54178","CuKα","","0.063","0.0468","","","0.1313","0.1444","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502991","34.5215","0.001","6.185","0.0002","16.8548","0.0005","90","","103.311","0.002","90","","3502.08","0.19","150","2","150","2","","","","","","","Mairi Rudkin","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C168 H152 N8 O32 -","8","1","","Gourdet, Benoit; Rudkin, Mairi E.; Lam, Hon Wai","Rhodium-catalyzed annulation of ynamides with bifunctional arylboron reagents.","Organic letters","2010","12","11","2554","2557","10.1021/ol100769p","","","0.71073","MoKα","","0.0539","0.0426","","","0.0982","0.1036","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502992","9.27962","0.00019","11.269","0.0003","12.779","0.0003","79.8174","0.0018","85.4258","0.0016","80.7897","0.0018","1296.5","0.05","100","2","100","2","","","","","","","Benoit Gourdet","6","P -1","-P 1","2","","","","- C27 H32 Cl N O5 Si -","- C27 H32 Cl N O5 Si -","- C54 H64 Cl2 N2 O10 Si2 -","2","1","","Gourdet, Benoit; Rudkin, Mairi E.; Lam, Hon Wai","Rhodium-catalyzed annulation of ynamides with bifunctional arylboron reagents.","Organic letters","2010","12","11","2554","2557","10.1021/ol100769p","","","1.5418","CuKα","","0.0424","0.041","","","0.1142","0.1157","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502993","9.269","0.001","5.8773","0.0007","15.1007","0.0018","90","","101.95","0.006","90","","804.81","0.16","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C34 H44 N4 O6 -","2","1","","Zeng, Xiaofei; Ye, Kehan; Lu, Min; Chua, Pei Juan; Tan, Bin; Zhong, Guofu","Chiral Brønsted acid catalyzed enantioselective addition of alpha-isocyanoacetamides to aldehydes.","Organic letters","2010","12","10","2414","2417","10.1021/ol1007789","","","0.71073","MoKα","","0.0568","0.0421","","","0.1094","0.1264","","","","","","1.091","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1502994","9.6941","0.0003","14.7085","0.0004","21.8771","0.0006","90","","90","","90","","3119.36","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl N O6 -","- C16 H16 Cl N O6 -","- C128 H128 Cl8 N8 O48 -","8","2","","Tan, Bin; Lu, Yunpeng; Zeng, Xiaofei; Chua, Pei Juan; Zhong, Guofu","Facile domino access to chiral bicyclo[3.2.1]octanes and discovery of a new catalytic activation mode.","Organic letters","2010","12","12","2682","2685","10.1021/ol1007795","","","0.71073","MoKα","","0.036","0.0286","","","0.0837","0.1025","","","","","","1.149","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502995","9.3739","0.0001","10.249","0.0001","16.2713","0.0002","90","","90","","90","","1563.23","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Yao, Weijun; Pan, Lianjie; Wu, Yihua; Ma, Cheng","Asymmetric synthesis of spiro-3,4-dihydropyrans via a domino organocatalytic sequence.","Organic letters","2010","12","10","2422","2425","10.1021/ol1007873","","","1.54184","CuKα","","0.0292","0.0278","","","0.0715","0.0725","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502996","15.1272","0.0005","5.4965","0.0002","16.83","0.0008","90","","114.777","0.002","90","","1270.54","0.09","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 F N4 O4 -","- C12 H9 F N4 O4 -","- C48 H36 F4 N16 O16 -","4","1","","Haddoub, Rose; Touil, Mounia; Raimundo, Jean-Manuel; Siri, Olivier","Unprecedented tunable tetraazamacrocycles.","Organic letters","2010","12","12","2722","2725","10.1021/ol100793g","","x-ray","0.71073","MoKα","","0.1268","0.0678","","","0.1486","0.1898","","","","","","1.097","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1502997","12.422","0.003","15.87","0.003","23.192","0.005","90","","90.39","0.03","90","","4571.9","1.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 F12 Mo3 P2 Pd S4 -","- C33 H50 F12 Mo3 P2 Pd S4 -","- C132 H200 F48 Mo12 P8 Pd4 S16 -","4","1","","Tao, Yinsong; Wang, Bo; Wang, Baomin; Qu, Lihong; Qu, Jingping","Highly efficient and regioselective allylation with allylic alcohols catalyzed by [Mo(3)S(4)Pd(eta(3)-allyl)] clusters.","Organic letters","2010","12","12","2726","2729","10.1021/ol100805c","","","0.71073","MoKα","","0.08","0.0605","","","0.1829","0.2012","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502998","11.4328","0.0006","21.3073","0.0011","20.1076","0.001","90","","95.32","0.003","90","","4877.2","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H54 F12 Mo3 P2 Pd S4 -","- C39 H54 F12 Mo3 P2 Pd S4 -","- C156 H216 F48 Mo12 P8 Pd4 S16 -","4","1","","Tao, Yinsong; Wang, Bo; Wang, Baomin; Qu, Lihong; Qu, Jingping","Highly efficient and regioselective allylation with allylic alcohols catalyzed by [Mo(3)S(4)Pd(eta(3)-allyl)] clusters.","Organic letters","2010","12","12","2726","2729","10.1021/ol100805c","","","0.71073","MoKα","","0.0583","0.038","","","0.0937","0.1064","","","","","","0.997","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502999","15.829","0.002","7.502","0.0012","16.492","0.003","90","","95.853","0.003","90","","1948.2","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 O2 -","- C25 H24 O2 -","- C100 H96 O8 -","4","1","","Jiang, Min; Shi, Min","Lewis acid catalyzed cycloaddition of methylenecyclopropanes with salicylaldehydes.","Organic letters","2010","12","11","2606","2609","10.1021/ol100814a","","","0.71073","MoKα","","0.0866","0.0593","","","0.1714","0.1821","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503000","9.4459","0.0009","11.0752","0.001","18.8988","0.0018","90","","100.572","0.002","90","","1943.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 O2 -","- C25 H24 O2 -","- C100 H96 O8 -","4","1","","Jiang, Min; Shi, Min","Lewis acid catalyzed cycloaddition of methylenecyclopropanes with salicylaldehydes.","Organic letters","2010","12","11","2606","2609","10.1021/ol100814a","","","0.71073","MoKα","","0.0645","0.0479","","","0.1174","0.1271","","","","","","0.993","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503001","8.9418","0.0002","12.138","0.0002","29.4256","0.0007","90","","90","","90","","3193.72","0.12","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 Br N2 O5 -","- C29 H25 Br N2 O5 -","- C116 H100 Br4 N8 O20 -","4","1","","Liao, Yu-Hua; Liu, Xiong-Li; Wu, Zhi-Jun; Cun, Lin-Feng; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Highly diastereo- and enantioselective Michael additions of 3-substituted oxindoles to maleimides catalyzed by chiral bifunctional thiourea-tertiary amine.","Organic letters","2010","12","13","2896","2899","10.1021/ol100822k","","","0.71073","MoKα","","0.0691","0.0383","","","0.096","0.099","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503002","9.6608","0.0009","7.7675","0.0007","20.3906","0.0019","90","","91.435","0.003","90","","1529.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","VM-iodolactone","sarpong12","","- C16 H18 I N O3 -","- C16 H18 I N O3 -","- C64 H72 I4 N4 O12 -","4","1","","Bisai, Vishnumaya; Sarpong, Richmond","Methoxypyridines in the synthesis of Lycopodium alkaloids: total synthesis of (+/-)-lycoposerramine R.","Organic letters","2010","12","11","2551","2553","10.1021/ol100823t","","","1.54178","CuKα","","0.0199","0.0196","","","0.0509","0.051","","","","","","1.116","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503003","16.7347","0.0005","8.7664","0.0003","17.2571","0.0005","90","","117.845","0.001","90","","2238.54","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C52 H60 O8 -","- C52 H60 O8 -","- C104 H120 O16 -","2","1","","Ajayi, Kehinde; Thakur, Vinay V.; Lapo, Robert C.; Knapp, Spencer","Intramolecular alpha-glucosaminidation: synthesis of mycothiol.","Organic letters","2010","12","11","2630","2633","10.1021/ol1008334","","","1.54178","CuKα","","0.0523","0.0475","","","0.1061","0.1079","","","","","","1.004","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503004","12.684","0.004","12.99","0.004","13.048","0.004","66.395","0.004","83.47","0.004","67.558","0.004","1818.8","1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 F6 N13 O P -","- C30 H34 F6 N13 O P -","- C60 H68 F12 N26 O2 P2 -","2","1","","Arunachalam, M.; Ahamed, B. Nisar; Ghosh, Pradyut","Binding of ammonium hexafluorophosphate and cation-induced isolation of unusual conformers of a hexapodal receptor.","Organic letters","2010","12","12","2742","2745","10.1021/ol100842q","","","0.71073","MoKα","","0.0627","0.0487","","","0.1448","0.1571","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503005","12.126","0.003","21.131","0.005","30.52","0.007","90","","90","","90","","7820","3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H42 Cl2 Cu N12 O14 -","- C30 H38 Cl2 Cu N12 O14 -","- C240 H304 Cl16 Cu8 N96 O112 -","8","1","","Arunachalam, M.; Ahamed, B. Nisar; Ghosh, Pradyut","Binding of ammonium hexafluorophosphate and cation-induced isolation of unusual conformers of a hexapodal receptor.","Organic letters","2010","12","12","2742","2745","10.1021/ol100842q","","","0.71073","MoKα","","0.0994","0.0648","","","0.146","0.1613","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503006","10.5152","0.0005","11.0902","0.0006","17.2952","0.0009","79.471","0.001","77.749","0.001","76.882","0.001","1900.24","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Cd Cl2 N12 O13 -","- C30 H38 Cd Cl2 N12 O13 -","- C60 H76 Cd2 Cl4 N24 O26 -","2","1","","Arunachalam, M.; Ahamed, B. Nisar; Ghosh, Pradyut","Binding of ammonium hexafluorophosphate and cation-induced isolation of unusual conformers of a hexapodal receptor.","Organic letters","2010","12","12","2742","2745","10.1021/ol100842q","","","0.71073","MoKα","","0.0395","0.0329","","","0.0844","0.0885","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503007","12.6815","0.0007","6.7504","0.0004","19.5058","0.0006","90","","96.25","0.003","90","","1659.87","0.14","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Bryan, Christopher S.; Lautens, Mark","A tandem catalytic approach to methyleneindenes: mechanistic insights into gem-dibromoolefin reactivity.","Organic letters","2010","12","12","2754","2757","10.1021/ol100844v","","","0.71073","MoKα","","0.0869","0.0612","","","0.1549","0.1772","","","","","","1.076","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503008","7.7467","0.0006","8.755","0.0007","25.2638","0.0017","92.894","0.005","93.713","0.005","108.481","0.004","1617.1","0.2","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","2","","Bryan, Christopher S.; Lautens, Mark","A tandem catalytic approach to methyleneindenes: mechanistic insights into gem-dibromoolefin reactivity.","Organic letters","2010","12","12","2754","2757","10.1021/ol100844v","","","0.71073","MoKa","","0.1254","0.0639","","","0.1466","0.1809","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503009","6.3188","0.001","19.093","0.003","25.261","0.004","90","","90","","90","","3047.6","0.8","184","2","184","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N O5 S2 -","- C31 H29 N O5 S2 -","- C124 H116 N4 O20 S8 -","4","1","","Jiang, Kun; Jia, Zhi-Jun; Yin, Xiang; Wu, Li; Chen, Ying-Chun","Asymmetric quadruple aminocatalytic domino reactions to fused carbocycles incorporating a spirooxindole motif.","Organic letters","2010","12","12","2766","2769","10.1021/ol100857s","","","0.71073","MoKα","","0.1704","0.0967","","","0.2466","0.292","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503010","15.134","0.004","7.946","0.0018","23.633","0.005","90","","91.625","0.004","90","","2840.8","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 N O3 -","- C34 H33 N O3 -","- C136 H132 N4 O12 -","4","1","","Bariwal, Jitender B.; Ermolat'ev, Denis S.; Glasnov, Toma N.; Van Hecke, Kristof; Mehta, Vaibhav P.; Van Meervelt, Luc; Kappe, C. Oliver; Van der Eycken, Erik V.","Diversity-oriented synthesis of dibenzoazocines and dibenzoazepines via a microwave-assisted intramolecular A(3)-coupling reaction.","Organic letters","2010","12","12","2774","2777","10.1021/ol1008729","","","1.54178","CuKα","","0.0723","0.0464","","","0.0945","0.1064","","","","","","1.043","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1503011","8.3323","0.0007","11.9758","0.001","10.5285","0.0015","90","","100.916","0.004","90","","1031.59","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 N O2 S -","- C25 H25 N O2 S -","- C50 H50 N2 O4 S2 -","2","1","","Bariwal, Jitender B.; Ermolat'ev, Denis S.; Glasnov, Toma N.; Van Hecke, Kristof; Mehta, Vaibhav P.; Van Meervelt, Luc; Kappe, C. Oliver; Van der Eycken, Erik V.","Diversity-oriented synthesis of dibenzoazocines and dibenzoazepines via a microwave-assisted intramolecular A(3)-coupling reaction.","Organic letters","2010","12","12","2774","2777","10.1021/ol1008729","","","1.54178","CuKα","","0.0669","0.0554","","","0.1325","0.1731","","","","","","1.121","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503012","6.454","0.005","14.297","0.012","16.313","0.015","90","","90","","90","","1505","2","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O3 S -","- C17 H16 O3 S -","- C68 H64 O12 S4 -","4","1","","Woods, Philip A.; Morrill, Louis C.; Lebl, Tomas; Slawin, Alexandra M. Z.; Bragg, Ryan A.; Smith, Andrew D.","Isothiourea-mediated stereoselective C-acylation of silyl ketene acetals.","Organic letters","2010","12","11","2660","2663","10.1021/ol1008747","","","0.71073","MoKα","","0.1621","0.1384","","","0.2697","0.2918","","","","","","1.18","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503013","11.4008","0.0004","13.3756","0.0005","21.1753","0.0008","82.9872","0.0014","89.1283","0.0012","83.934","0.002","3187","0.2","173","","173","","","","","","","","LOC ETH Zurich","3","P -1","-P 1","2","","","","- C86 H68 O6 -","- C86 H68 O6 -","- C172 H136 O12 -","2","1","","Kissel, Patrick; van Heijst, Jeroen; Enning, Raoul; Stemmer, Andreas; Schlüter, A Dieter; Sakamoto, Junji","Macrocyclic amphiphiles with 1,8-anthrylene fluorophores: synthesis and attempts toward two-dimensional organization.","Organic letters","2010","12","12","2778","2781","10.1021/ol100877g","","","0.71073","MoKα","","0.1347","0.0796","","","0.1884","0.2217","","","","","","1.168","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503014","11.311","0.002","21.467","0.004","21.439","0.004","90","","103.77","0.03","90","","5056.1","1.7","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53 H66 Cl4 O10 -","- C53 H66 Cl4 O10 -","- C212 H264 Cl16 O40 -","4","0.5","","Zhang, Zibin; Xia, Binyuan; Han, Chengyou; Yu, Yihua; Huang, Feihe","Syntheses of copillar[5]arenes by co-oligomerization of different monomers.","Organic letters","2010","12","15","3285","3287","10.1021/ol100883k","","","0.71073","MoKα","","0.061","0.0574","","","0.1586","0.161","","","","","","1.105","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503015","12.187","0.002","14.65","0.003","22.05","0.004","87.84","0.03","87.6","0.03","72.39","0.03","3747.7","1.4","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C81 H124 O10 -","- C81 H124 O10 -","- C162 H248 O20 -","2","1","","Zhang, Zibin; Xia, Binyuan; Han, Chengyou; Yu, Yihua; Huang, Feihe","Syntheses of copillar[5]arenes by co-oligomerization of different monomers.","Organic letters","2010","12","15","3285","3287","10.1021/ol100883k","","","0.71073","MoKα","","0.0962","0.0601","","","0.159","0.1861","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503016","12.1826","0.0002","13.2648","0.0002","19.6464","0.0003","73.314","0.002","83.977","0.001","76.654","0.002","2956.49","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C65 H90 O10 -","- C65 H90 O10 -","- C130 H180 O20 -","2","1","","Zhang, Zibin; Xia, Binyuan; Han, Chengyou; Yu, Yihua; Huang, Feihe","Syntheses of copillar[5]arenes by co-oligomerization of different monomers.","Organic letters","2010","12","15","3285","3287","10.1021/ol100883k","","","0.71073","MoKα","","0.0874","0.0757","","","0.1644","0.1685","","","","","","1.093","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"1503017","10.805","0.007","21.875","0.014","11.405","0.008","90","","95.354","0.011","90","","2684","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 N O6 -","- C29 H27 N O6 -","- C116 H108 N4 O24 -","4","1","","Ye, Yang; Wang, Hua; Fan, Renhua","Stereoselective construction of highly functionalized azetidines via a [2 + 2]-cycloaddition.","Organic letters","2010","12","12","2802","2805","10.1021/ol100885f","","","0.71073","MoKα","","0.1424","0.0649","","","0.1653","0.1928","","","","","","0.802","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503018","9.1592","0.0003","11.2121","0.0003","17.3903","0.0004","90","","90","","90","","1785.88","0.09","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br N3 O4 -","- C18 H16 Br N3 O4 -","- C72 H64 Br4 N12 O16 -","4","1","","Chen, Wen-Bing; Wu, Zhi-Jun; Pei, Qing-Lan; Cun, Lin-Feng; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Highly enantioselective construction of spiro[4H-pyran-3,3'-oxindoles] through a domino Knoevenagel/Michael/cyclization sequence catalyzed by cupreine.","Organic letters","2010","12","14","3132","3135","10.1021/ol1009224","","","0.71073","MoKα","","0.0534","0.0283","","","0.0497","0.0513","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503019","8.4603","0.0003","10.6883","0.0003","14.7189","0.0005","90","","95.992","0.002","90","","1323.7","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H47 Br O3 Si -","- C24 H47 Br O3 Si -","- C48 H94 Br2 O6 Si2 -","2","1","","Li, Hao; Loh, Teck-Peng","A facile method for the synthesis of highly substituted six-membered rings: Mukaiyama-Aldol-Prins cascade reaction.","Organic letters","2010","12","12","2679","2681","10.1021/ol100937r","","","0.71073","MoKα","","0.0569","0.0361","","","0.0793","0.1187","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503020","7.3374","0.0001","7.4795","0.0001","25.3435","0.0005","90","","90","","90","","1390.85","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1'R,2'S,3a'R,4'S,7a'S)-1'-hydroxy-3a',4'-dimethyl-4-methylenedecahydro-2H-spiro[furan-3,2'-inden]-2-one","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Phillips, Eric M.; Roberts, John M.; Scheidt, Karl A.","Catalytic enantioselective total syntheses of bakkenolides I, J, and S: application of a carbene-catalyzed desymmetrization.","Organic letters","2010","12","12","2830","2833","10.1021/ol100938j","","","0.71073","MoKα","","0.0412","0.0361","","","0.0946","0.0975","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503021","10.8049","0.0002","17.5738","0.0003","21.5909","0.0004","90","","90","","90","","4099.75","0.13","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H39 Cl N2 O12 S2 -","- C41 H39 Cl N2 O12 S2 -","- C164 H156 Cl4 N8 O48 S8 -","4","1","","Mascitti, Vincent; Préville, Cathy","Stereoselective synthesis of a dioxa-bicyclo[3.2.1]octane SGLT2 inhibitor.","Organic letters","2010","12","13","2940","2943","10.1021/ol100940w","","","1.54178","CuKα","","0.0341","0.0314","","","0.0859","0.0887","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503022","18.025","0.004","12.343","0.003","12.143","0.002","90","","120.46","0.03","90","","2328.7","1.1","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C30 H29 N -","- C30 H29 N -","- C120 H116 N4 -","4","1","","Wang, Yuxing; Liao, Qian; Xi, Chanjuan","Copper-catalyzed amination of alkenyl halides: efficient method for the synthesis of enamines.","Organic letters","2010","12","13","2951","2953","10.1021/ol1009416","","","0.71073","MoKα","","0.0417","0.041","","","0.1152","0.1159","","","","","","1.083","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503023","8.578","0.008","13.005","0.012","17.753","0.018","90","","100.882","0.011","90","","1945","3","100.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O -","- C25 H23 N O -","- C100 H92 N4 O4 -","4","1","","Fukui, Hiroki; Fukushi, Yukiharu","NMR determinations of the absolute configuration of alpha-chiral primary amines.","Organic letters","2010","12","12","2856","2859","10.1021/ol100951s","","","0.7107","MoKα","","","0.091","","","","0.1889","","","","","","1.143","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503024","6.8545","0.0019","15.086","0.004","25.353","0.007","90","","90","","90","","2621.7","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H46 O4 Si2 -","- C21 H46 O4 Si2 -","- C84 H184 O16 Si8 -","4","1","","Paudyal, Mahesh P.; Rath, Nigam P.; Spilling, Christopher D.","A formal synthesis of the C1-C9 fragment of amphidinolide C employing the Tamaru reaction.","Organic letters","2010","12","13","2954","2957","10.1021/ol100959a","","","0.71073","MoKα","","0.1681","0.0772","","","0.1759","0.2151","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503025","18.6734","0.0005","8.9202","0.0007","11.2248","0.0006","90","","90","","90","","1869.72","0.18","150","1","150","1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","1","","Candito, David A.; Lautens, Mark","Exploiting the chemistry of strained rings: synthesis of indoles via domino reaction of aryl iodides with 2H-azirines.","Organic letters","2010","12","15","3312","3315","10.1021/ol100975b","","","0.71073","MoKα","","0.0966","0.0479","","","0.1","0.1204","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503026","3.842","0.008","7.434","0.002","15.223","0.006","90","","90.34","0.01","90","","434.8","0.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,8-dichlorobenzo[1,2-c;4,5-c']bis[1,2,5]thiadiazole","","- C6 Cl2 N4 S2 -","- C6 Cl2 N4 S2 -","- C12 Cl4 N8 S4 -","2","0.5","","Tam, Teck Lip; Li, Hairong; Wei, Fengxia; Tan, Ke Jie; Kloc, Christian; Lam, Yeng Ming; Mhaisalkar, Subodh G.; Grimsdale, Andrew C.","One-pot synthesis of 4,8-dibromobenzo[1,2-c;4,5-c']bis[1,2,5]thiadiazole.","Organic letters","2010","12","15","3340","3343","10.1021/ol100989v","","","0.71073","MoKα","","0.0292","0.0246","","","0.0659","0.0674","","","","1.86","1.86","1.58","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503027","11.5513","0.0015","14.519","0.002","14.9112","0.0015","90","","93.411","0.01","90","","2496.4","0.5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 B N2 O2 -","- C11 H19 B N2 O2 -","- C88 H152 B8 N16 O16 -","8","2","","Solovyev, Andrey; Ueng, Shau-Hua; Monot, Julien; Fensterbank, Louis; Malacria, Max; Lacôte, Emmanuel; Curran, Dennis P.","Estimated rate constants for hydrogen abstraction from N-heterocyclic carbene-borane complexes by an alkyl radical.","Organic letters","2010","12","13","2998","3001","10.1021/ol101014q","","","0.71073","MoKα","","0.1131","0.0715","","0.1982","0.1681","0.1981","","","","","","0.9959","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503028","10.567","0.005","10.864","0.004","10.851","0.009","90","","117.492","0.006","90","","1105","1.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 B N2 -","- C9 H19 B N2 -","- C36 H76 B4 N8 -","4","1","","Solovyev, Andrey; Ueng, Shau-Hua; Monot, Julien; Fensterbank, Louis; Malacria, Max; Lacôte, Emmanuel; Curran, Dennis P.","Estimated rate constants for hydrogen abstraction from N-heterocyclic carbene-borane complexes by an alkyl radical.","Organic letters","2010","12","13","2998","3001","10.1021/ol101014q","","","0.71073","MoKα","","0.1004","0.0512","","","0.1195","0.1376","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503029","12.0628","0.0017","11.1517","0.0009","12.1983","0.0016","90","","109.424","0.009","90","","1547.5","0.3","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 B N2 -","- C15 H27 B N2 -","- C60 H108 B4 N8 -","4","1","","Solovyev, Andrey; Ueng, Shau-Hua; Monot, Julien; Fensterbank, Louis; Malacria, Max; Lacôte, Emmanuel; Curran, Dennis P.","Estimated rate constants for hydrogen abstraction from N-heterocyclic carbene-borane complexes by an alkyl radical.","Organic letters","2010","12","13","2998","3001","10.1021/ol101014q","","","0.71073","MoKα","","0.1381","0.0604","","0.1681","0.1374","0.1681","","","","","","0.9022","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503030","13.4028","0.0002","13.4028","0.0002","41.9587","0.0014","90","","90","","120","","6527.5","0.3","150","2","150","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C41 H55 N4 O11.5 -","- C41 H50 N4 O9 -","- C246 H300 N24 O54 -","6","1","","Fairweather, Kelly A.; Sayyadi, Nima; Luck, Ian J.; Clegg, Jack K.; Jolliffe, Katrina A.","Synthesis of all-L cyclic tetrapeptides using pseudoprolines as removable turn inducers.","Organic letters","2010","12","14","3136","3139","10.1021/ol101018w","","","0.71073","MoKα","","0.0641","0.0536","","","0.1462","0.1523","","","","","","1.084","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1503031","7.3154","0.0011","15.339","0.002","21.853","0.003","90","","91.224","0.003","90","","2451.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H41 N O4 Si -","- C24 H41 N O4 Si -","- C96 H164 N4 O16 Si4 -","4","1","","Lazarski, Kiel E.; Hu, Dennis X.; Stern, Charlotte L.; Thomson, Regan J.","A synthesis of the carbocyclic core of maoecrystal V.","Organic letters","2010","12","13","3010","3013","10.1021/ol101025r","","","0.71073","MoKα","","0.1436","0.0645","","","0.1338","0.1599","","","","","","0.908","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503032","15.8878","0.0005","11.8265","0.0004","13.325","0.0004","90","","104.477","0.002","90","","2424.23","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H45 N O5 Si -","- C24 H41 N O5 Si -","- C96 H164 N4 O20 Si4 -","4","1","","Lazarski, Kiel E.; Hu, Dennis X.; Stern, Charlotte L.; Thomson, Regan J.","A synthesis of the carbocyclic core of maoecrystal V.","Organic letters","2010","12","13","3010","3013","10.1021/ol101025r","","","1.54178","CuKα","","0.0635","0.0463","","","0.1342","0.1692","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503033","10.329","0.003","12.915","0.004","35.149","0.014","90","","95.424","0.01","90","","4668","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 O3 Si -","- C24 H40 O3 Si -","- C192 H320 O24 Si8 -","8","2","","Lazarski, Kiel E.; Hu, Dennis X.; Stern, Charlotte L.; Thomson, Regan J.","A synthesis of the carbocyclic core of maoecrystal V.","Organic letters","2010","12","13","3010","3013","10.1021/ol101025r","","","1.54178","CuKα","","0.0553","0.0481","","","0.1262","0.1304","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503034","11.2417","0.0002","12.5001","0.0002","12.3596","0.0002","90","","111.39","0.001","90","","1617.17","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","","Lazarski, Kiel E.; Hu, Dennis X.; Stern, Charlotte L.; Thomson, Regan J.","A synthesis of the carbocyclic core of maoecrystal V.","Organic letters","2010","12","13","3010","3013","10.1021/ol101025r","","","0.71073","MoKα","","0.0625","0.0544","","","0.1595","0.1631","","","","","","1.169","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503035","20.0329","0.0005","6.5664","0.0002","17.1418","0.0004","90","","90","","90","","2254.9","0.1","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H40 O3 Si -","- C24 H40 O3 Si -","- C96 H160 O12 Si4 -","4","1","","Lazarski, Kiel E.; Hu, Dennis X.; Stern, Charlotte L.; Thomson, Regan J.","A synthesis of the carbocyclic core of maoecrystal V.","Organic letters","2010","12","13","3010","3013","10.1021/ol101025r","","","1.54178","CuKα","","0.0289","0.0287","","","0.0762","0.0765","","","","","","1.088","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503036","11.5178","0.0017","9.26","0.0014","18.695","0.003","90","","95.335","0.003","90","","1985.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O7 -","- C22 H23 N O7 -","- C88 H92 N4 O28 -","4","1","","Chattopadhyay, Kalicharan; Jana, Ranjan; Day, Victor W.; Douglas, Justin T.; Tunge, Jon A.","Mechanistic origin of the stereodivergence in decarboxylative allylation.","Organic letters","2010","12","13","3042","3045","10.1021/ol101042x","","","0.71073","MoKα","","0.0725","0.0569","","","0.129","0.1379","","","","","","1.088","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503037","8.8899","0.0014","13.526","0.002","15.808","0.003","76.043","0.003","82.036","0.003","75.272","0.003","1778.1","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C84 H88 O20 -","4","2","","Chattopadhyay, Kalicharan; Jana, Ranjan; Day, Victor W.; Douglas, Justin T.; Tunge, Jon A.","Mechanistic origin of the stereodivergence in decarboxylative allylation.","Organic letters","2010","12","13","3042","3045","10.1021/ol101042x","","","0.71073","MoKα","","0.0764","0.059","","","0.1218","0.1298","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503038","11.535","0.004","15.772","0.005","20.813","0.007","81.708","0.012","89.14","0.02","85.925","0.019","3737","2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H64 Cl8 O6 S8 -","- C68 H56 O6 S8 -","- C136 H112 O12 S16 -","2","1","","Shao, Min; Dongare, Prateek; Dawe, Louise N.; Thompson, David W.; Zhao, Yuming","Biscrown-annulated TTFAQ-dianthracene hybrid: synthesis, structure, and metal ion sensing.","Organic letters","2010","12","13","3050","3053","10.1021/ol1010467","","","0.71075","MoKα","","0.1112","0.0959","","","0.2788","0.3022","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503039","16.143","0.003","6.4594","0.0013","17.674","0.004","90","","116.29","0.03","90","","1652.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N3 O3 -","- C18 H21 N3 O3 -","- C72 H84 N12 O12 -","4","1","","Chu, Wei-Jun; Yang, Yong; Chen, Chuan-Feng","Multiple hydrogen-bond-mediated molecular duplexes based on the self-complementary amidourea motif.","Organic letters","2010","12","14","3156","3159","10.1021/ol101068n","","","1.54178","CuKα","","0.0511","0.0432","","","0.1041","0.1083","","","","","","1.087","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503040","8.6711","0.0009","8.765","0.0009","24.82","0.003","97.279","0.002","92.24","0.002","117.315","0.002","1652.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H50 N2 O3 -","- C39 H50 N2 O3 -","- C78 H100 N4 O6 -","2","1","","Curiel, David; Más-Montoya, Miriam; Uruvakili, Anasuyama; Orenes, Raúl A; Pallamreddy, Haranath; Molina, Pedro","Synthesis and characterization of new carbazolocarbazoles: toward pi-extended N-fused heteroacenes","Organic letters","2010","12","14","3164","3167","10.1021/ol101076m","","","0.71073","MoKα","","0.0974","0.0702","","","0.1945","0.2128","","","","","","1.059","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1503041","3.8217","0.0008","19.331","0.004","16.505","0.003","90","","92.7","0.03","90","","1218","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Moustafa, Mahmoud M Abd Rabo; Pagenkopf, Brian L.","Synthesis of 5-azaindoles via a cycloaddition reaction between nitriles and donor-acceptor cyclopropanes.","Organic letters","2010","12","14","3168","3171","10.1021/ol101078z","","","0.71073","MoKα","","0.0804","0.0461","","","0.1046","0.1208","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503042","12.2495","0.0014","9.5744","0.0011","17.716","0.002","90","","103.227","0.003","90","","2022.6","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O5 -","- C25 H19 N O5 -","- C100 H76 N4 O20 -","4","1","","Kao, Tzu-Ting; Syu, Siang-en; Jhang, Yi-Wun; Lin, Wenwei","Preparation of tetrasubstituted furans via intramolecular Wittig reactions with phosphorus ylides as intermediates.","Organic letters","2010","12","13","3066","3069","10.1021/ol101080q","","","0.71073","MoKα","","0.0462","0.0379","","","0.0947","0.1011","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503043","33.018","0.0015","11.8272","0.0007","9.8005","0.0004","90","","103.131","0.003","90","","3727.1","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H13 Cl N2 O3 -","- C23 H13 Cl N2 O3 -","- C184 H104 Cl8 N16 O24 -","8","1","","Kao, Tzu-Ting; Syu, Siang-en; Jhang, Yi-Wun; Lin, Wenwei","Preparation of tetrasubstituted furans via intramolecular Wittig reactions with phosphorus ylides as intermediates.","Organic letters","2010","12","13","3066","3069","10.1021/ol101080q","","","0.71073","MoKα","","0.0774","0.0586","","","0.1378","0.1471","","","","","","1.504","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503044","12.4771","0.001","12.5044","0.001","12.6807","0.001","113.793","0.003","99.156","0.004","114.617","0.004","1513.1","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H43 O2 P -","- C34 H43 O2 P -","- C68 H86 O4 P2 -","2","1","","Kao, Tzu-Ting; Syu, Siang-en; Jhang, Yi-Wun; Lin, Wenwei","Preparation of tetrasubstituted furans via intramolecular Wittig reactions with phosphorus ylides as intermediates.","Organic letters","2010","12","13","3066","3069","10.1021/ol101080q","","","0.71073","MoKα","","0.0793","0.059","","","0.155","0.1751","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503045","8.2518","0.0005","8.748","0.0005","20.7225","0.0013","84.633","0.004","84.557","0.003","82.321","0.004","1470.83","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 N O5 P -","- C30 H42 N O5 P -","- C60 H84 N2 O10 P2 -","2","1","","Kao, Tzu-Ting; Syu, Siang-en; Jhang, Yi-Wun; Lin, Wenwei","Preparation of tetrasubstituted furans via intramolecular Wittig reactions with phosphorus ylides as intermediates.","Organic letters","2010","12","13","3066","3069","10.1021/ol101080q","","","0.71073","MoKα","","0.0919","0.0546","","","0.1382","0.1628","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503046","13.0677","0.0003","13.0609","0.0003","15.1264","0.0005","90","","100.924","0.001","90","","2534.93","0.12","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 N O P -","- C28 H38 N O P -","- C112 H152 N4 O4 P4 -","4","1","","Kao, Tzu-Ting; Syu, Siang-en; Jhang, Yi-Wun; Lin, Wenwei","Preparation of tetrasubstituted furans via intramolecular Wittig reactions with phosphorus ylides as intermediates.","Organic letters","2010","12","13","3066","3069","10.1021/ol101080q","","","0.71073","MoKα","","0.1147","0.0614","","","0.1367","0.1685","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503047","23.91","0.0007","10.4217","0.0003","28.342","0.0008","90","","108.506","0.002","90","","6697.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Cl O3 P -","- C34 H44 Cl O3 P -","- C272 H352 Cl8 O24 P8 -","8","1","","Kao, Tzu-Ting; Syu, Siang-en; Jhang, Yi-Wun; Lin, Wenwei","Preparation of tetrasubstituted furans via intramolecular Wittig reactions with phosphorus ylides as intermediates.","Organic letters","2010","12","13","3066","3069","10.1021/ol101080q","","","0.71073","MoKα","","0.1163","0.0561","","","0.1336","0.1623","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503048","9.8049","0.0008","11.3545","0.0009","12.1899","0.001","105.88","0.004","93.794","0.004","100.857","0.004","1271.95","0.18","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H18 Br2 O2 -","- C29 H18 Br2 O2 -","- C58 H36 Br4 O4 -","2","1","","Kao, Tzu-Ting; Syu, Siang-en; Jhang, Yi-Wun; Lin, Wenwei","Preparation of tetrasubstituted furans via intramolecular Wittig reactions with phosphorus ylides as intermediates.","Organic letters","2010","12","13","3066","3069","10.1021/ol101080q","","","0.71073","MoKα","","0.0843","0.0531","","","0.1604","0.1894","","","","","","0.677","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503049","8.0218","0.0008","14.6605","0.0014","18.8312","0.0018","90","","96.776","0.002","90","","2199.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 N6 O3 -","- C22 H24 N6 O3 -","- C88 H96 N24 O12 -","4","2","","Yan, Wuming; Wang, Qiaoyi; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong","Iron-catalyzed C-O bond activation for the synthesis of propargyl-1,2,3-triazoles and 1,1-bis-triazoles.","Organic letters","2010","12","15","3308","3311","10.1021/ol101082v","","","0.71073","MoKα","","0.1346","0.0628","","","0.1339","0.1678","","","","","","0.956","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503050","15.3847","0.0012","5.6909","0.0004","40.749","0.003","90","","96.166","0.001","90","","3547","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C184 H136 N24 -","8","2","","Yan, Wuming; Wang, Qiaoyi; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong","Iron-catalyzed C-O bond activation for the synthesis of propargyl-1,2,3-triazoles and 1,1-bis-triazoles.","Organic letters","2010","12","15","3308","3311","10.1021/ol101082v","","","0.71073","MoKα","","0.0933","0.0541","","","0.1308","0.1519","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503051","18.133","0.004","12.922","0.003","9.6356","0.0019","90","","102.83","0.03","90","","2201.4","0.9","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O3 S -","- C27 H25 N O3 S -","- C108 H100 N4 O12 S4 -","4","1","","Li, Changkun; Zhang, Hang; Feng, Jiajie; Zhang, Yan; Wang, Jianbo","Rh(I)-catalyzed carbonylative carbocyclization of tethered ene- and yne-cyclopropenes.","Organic letters","2010","12","13","3082","3085","10.1021/ol101091r","","","0.71073","MoKα","","0.0937","0.0525","","","0.0998","0.1051","","","","","","0.994","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503052","21.763","0.004","10.484","0.002","23.818","0.005","90","","111.79","0.03","90","","5046","2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 N O3 S -","- C30 H29 N O3 S -","- C240 H232 N8 O24 S8 -","8","1","","Li, Changkun; Zhang, Hang; Feng, Jiajie; Zhang, Yan; Wang, Jianbo","Rh(I)-catalyzed carbonylative carbocyclization of tethered ene- and yne-cyclopropenes.","Organic letters","2010","12","13","3082","3085","10.1021/ol101091r","","","0.71073","MoKα","","0.0834","0.0427","","","0.0584","0.0607","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503053","24.46","0.005","7.3613","0.0015","12.014","0.002","90","","92.99","0.03","90","","2160.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O2 S -","- C26 H25 N O2 S -","- C104 H100 N4 O8 S4 -","4","1","","Li, Changkun; Zhang, Hang; Feng, Jiajie; Zhang, Yan; Wang, Jianbo","Rh(I)-catalyzed carbonylative carbocyclization of tethered ene- and yne-cyclopropenes.","Organic letters","2010","12","13","3082","3085","10.1021/ol101091r","","","0.71073","MoKα","","0.1132","0.046","","","0.0799","0.0839","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503054","13.092","0.008","12.645","0.008","23.224","0.016","90","","106.336","0.009","90","","3689","4","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H67 Br P2 Pd -","- C36 H67 Br P2 Pd -","- C144 H268 Br4 P8 Pd4 -","4","1","","Li, Hongbo; Grasa, Gabriela A.; Colacot, Thomas J.","A highly efficient, practical, and general route for the synthesis of (R3P)2Pd(0): structural evidence on the reduction mechanism of Pd(II) to Pd(0).","Organic letters","2010","12","15","3332","3335","10.1021/ol101106z","","","0.71073","MoKα","","0.0345","0.0274","","","0.0699","0.0727","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503055","10.5941","0.0016","6.5221","0.0009","15.431","0.002","90","","104.263","0.002","90","","1033.4","0.3","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Br2 O2 Pd2 -","- C18 H30 Br2 O2 Pd2 -","- C36 H60 Br4 O4 Pd4 -","2","0.5","","Li, Hongbo; Grasa, Gabriela A.; Colacot, Thomas J.","A highly efficient, practical, and general route for the synthesis of (R3P)2Pd(0): structural evidence on the reduction mechanism of Pd(II) to Pd(0).","Organic letters","2010","12","15","3332","3335","10.1021/ol101106z","","","0.71073","MoKα","","0.0502","0.0447","","","0.1192","0.124","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503056","27.553","0.018","8.908","0.006","17.38","0.012","90","","125.364","0.009","90","","3479","4","138","2","138","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 O4 P -","- C20 H19 O4 P -","- C160 H152 O32 P8 -","8","1","","Zhang, Dong; Celaje, Jeff A.; Agua, Alon; Doan, Chad; Stewart, Timothy; Bau, Robert; Selke, Matthias","Photooxidation of mixed aryl and biarylphosphines.","Organic letters","2010","12","13","3100","3103","10.1021/ol101122u","","","0.71073","MoKα","","0.096","0.064","","","0.1649","0.1898","","","","","","0.964","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503057","9.336","0.002","12.036","0.003","15.354","0.004","90","","101.625","0.004","90","","1689.9","0.7","155","2","155","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 O3 P -","- C20 H19 O3 P -","- C80 H76 O12 P4 -","4","1","","Zhang, Dong; Celaje, Jeff A.; Agua, Alon; Doan, Chad; Stewart, Timothy; Bau, Robert; Selke, Matthias","Photooxidation of mixed aryl and biarylphosphines.","Organic letters","2010","12","13","3100","3103","10.1021/ol101122u","","","0.71073","MoKα","","0.0623","0.0463","","","0.1211","0.1293","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503058","14.141","0.002","10.6057","0.0017","18.01","0.003","90","","109.354","0.007","90","","2548.4","0.7","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H50 Fe2 O2 -","- C72 H50 Fe2 O2 -","- C144 H100 Fe4 O4 -","2","0.5","","Morisaki, Yasuhiro; Sawamura, Toshiyuki; Murakami, Takuya; Chujo, Yoshiki","Synthesis of anthracene-stacked oligomers and polymer.","Organic letters","2010","12","14","3188","3191","10.1021/ol1011295","","","0.71075","MoKα","","0.1215","0.0569","","","0.1095","0.1307","","","","","","0.933","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503059","16.5169","0.0009","5.7641","0.0003","50.954","0.003","90","","90","","90","","4851.1","0.5","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(3R,3aS,3a1R,4S,6aR,9aS)-tert-butyl 4-(3,5-dimethoxyphenyl)-9a-hydroxy- 3-methyl-2,3,3a,3a1,4,6a,7,8,9,9a-decahydro-1H-benzo[de]quinoline-1-carboxylate","","- C26 H37 N O5 -","- C26 H37 N O5 -","- C208 H296 N8 O40 -","8","2","","Burke, Jason P.; Sabat, Michal; Iovan, Diana A.; Myers, William H.; Chruma, Jason J.","Exploring the original proposed biosynthesis of (+)-symbioimine: remote exocyclic stereocontrol in a type I IMDA reaction.","Organic letters","2010","12","14","3192","3195","10.1021/ol101141a","","","0.71073","MoKα","","0.1501","0.0503","","","0.075","0.0959","","","","","","0.893","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503060","9.757","0.008","29.99","0.02","11.97","0.009","90","","98.61","0.019","90","","3463","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N4 O7 -","- C16 H20 N4 O7 -","- C128 H160 N32 O56 -","8","4","","Medeiros, Matthew R.; Narayan, Radha S.; McDougal, Nolan T.; Schaus, Scott E.; Porco, Jr, John A","Skeletal diversity via cationic rearrangements of substituted dihydropyrans.","Organic letters","2010","12","14","3222","3225","10.1021/ol101144k","","","1.54178","CuKα","","0.0242","0.0238","","","0.0628","0.0631","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503061","11.9147","0.0015","20.442","0.003","18.076","0.002","90","","97.6","0.004","90","","4363.9","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Triazacalix[3]pyrrole","","","- C21 H32 N6 O -","- C21 H32 N6 O -","- C168 H256 N48 O8 -","8","2","","Mani, Ganesan; Jana, Debasish; Kumar, Rajnish; Ghorai, Debasish","Azatripyrrolic and azatetrapyrrolic macrocycles from the Mannich reaction of pyrrole: receptors for anions.","Organic letters","2010","12","14","3212","3215","10.1021/ol101159q","","","0.71073","MoKα","","0.15","0.0981","","","0.2832","0.3145","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503062","12.9325","0.0018","14.018","0.0018","17.516","0.002","90","","109.805","0.004","90","","2987.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetraazacalix[4]pyrrole(Methyl)","","","- C28 H42 N8 O -","- C28 H42 N8 O -","- C112 H168 N32 O4 -","4","1","","Mani, Ganesan; Jana, Debasish; Kumar, Rajnish; Ghorai, Debasish","Azatripyrrolic and azatetrapyrrolic macrocycles from the Mannich reaction of pyrrole: receptors for anions.","Organic letters","2010","12","14","3212","3215","10.1021/ol101159q","","","0.71073","MoKα","","0.1906","0.0626","","","0.1001","0.131","","","","","","1.016","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1503063","17.429","0.003","13.793","0.002","15.399","0.002","90","","114.644","0.004","90","","3364.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetraazacalix[4]pyrrole(Et)","","","- C32 H50 N8 O -","- C32 H50 N8 O -","- C128 H200 N32 O4 -","4","1","","Mani, Ganesan; Jana, Debasish; Kumar, Rajnish; Ghorai, Debasish","Azatripyrrolic and azatetrapyrrolic macrocycles from the Mannich reaction of pyrrole: receptors for anions.","Organic letters","2010","12","14","3212","3215","10.1021/ol101159q","","","0.71073","MoKα","","0.0906","0.0522","","","0.1173","0.1385","","","","","","1.007","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1503064","9.706","0.001","11.437","0.001","12.864","0.001","92.632","0.002","108.562","0.002","103.893","0.002","1302.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","in manuscript 8a","3-[(E)-3-(4-Methoxyphenyl)-1-phenyl-3-pyrroliden-1-yl-prop-2-en-(E)-yliden]-1,3-dihydroindol-2-one","","- C29 H27.33 Cl2.67 N2 O2 -","- C29 H27.33 Cl2.67 N2 O2 -","- C58 H54.66 Cl5.34 N4 O4 -","2","1","","D'Souza, Daniel M; Muschelknautz, Christian; Rominger, Frank; Müller, Thomas J J","Unusual solid-state luminescent push-pull indolones: a general one-pot three-component approach.","Organic letters","2010","12","15","3364","3367","10.1021/ol101165m","","","0.71073","MoKα","","0.0709","0.0519","","","0.1384","0.1511","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503065","19.1627","0.0007","9.8124","0.0004","19.8246","0.0008","90","","97.067","0.001","90","","3699.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","in manuscript 8k","4-[(E)-1-[Hexyl-(4-methoxybenzyl)-amino]-3-[1-methansulfonyl-2-oxo-1,2-dihydroindol-(3E)-yliden]-3-(4-methoxyphenyl)-propenyl]-benzonitrile","","- C40 H41 N3 O5 S -","- C40 H41 N3 O5 S -","- C160 H164 N12 O20 S4 -","4","1","","D'Souza, Daniel M; Muschelknautz, Christian; Rominger, Frank; Müller, Thomas J J","Unusual solid-state luminescent push-pull indolones: a general one-pot three-component approach.","Organic letters","2010","12","15","3364","3367","10.1021/ol101165m","","","0.71073","MoKα","","0.0766","0.0457","","","0.1128","0.131","","","","","","1.014","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1503066","9.8525","0.0006","12.4298","0.0008","13.0648","0.0009","71.504","0.001","77.486","0.001","75.275","0.001","1451.26","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","in manuscript 8n","3-[(E)-1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-3-morpholin-4-yl-prop-2-en-(E)-yliden]-1-methansulfonyl-1,3-dihydroindol-2-one","","- C30 H29 Cl3 N2 O5 S -","- C30 H29 Cl3 N2 O5 S -","- C60 H58 Cl6 N4 O10 S2 -","2","1","","D'Souza, Daniel M; Muschelknautz, Christian; Rominger, Frank; Müller, Thomas J J","Unusual solid-state luminescent push-pull indolones: a general one-pot three-component approach.","Organic letters","2010","12","15","3364","3367","10.1021/ol101165m","","","0.71073","MoKα","","0.0395","0.0334","","","0.0883","0.0927","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503067","9.682","0.0003","9.9137","0.0004","19.0085","0.0007","90","","90","","90","","1824.52","0.11","153.1","","153.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O5 -","- C19 H20 N2 O5 -","- C76 H80 N8 O20 -","4","1","","Xu, Yingjie; Matsunaga, Shigeki; Shibasaki, Masakatsu","syn-Selective catalytic asymmetric 1,4-addition of alpha-ketoanilides to nitroalkenes under dinuclear nickel catalysis.","Organic letters","2010","12","14","3246","3249","10.1021/ol101185p","","","1.54187","CuKα","","","0.0311","","","","0.08","","","","","","1.109","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503068","6.24","0.003","7.706","0.003","12.861","0.005","90","","98.015","0.007","90","","612.4","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 Br O -","- C14 H15 Br O -","- C28 H30 Br2 O2 -","2","1","","Yang, Hua; Carter, Rich G.","Synthesis of all-carbon, quaternary center-containing cyclohexenones through an organocatalyzed, multicomponent coupling.","Organic letters","2010","12","13","3108","3111","10.1021/ol1011955","","","0.71073","MoKα","","0.0382","0.0327","","","0.0638","0.0688","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503069","6.508","0.002","10.191","0.003","12.222","0.004","91.608","0.006","103.611","0.005","101.668","0.005","769.1","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 Cl O -","- C19 H17 Cl O -","- C38 H34 Cl2 O2 -","2","1","","Yang, Hua; Carter, Rich G.","Synthesis of all-carbon, quaternary center-containing cyclohexenones through an organocatalyzed, multicomponent coupling.","Organic letters","2010","12","13","3108","3111","10.1021/ol1011955","","","0.71073","MoKα","","0.0525","0.0408","","","0.0977","0.1065","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503070","10.8594","0.0005","21.0813","0.0008","23.1923","0.001","90","","90","","90","","5309.4","0.4","296.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H52 Cl2 N2 O2 P2 Ru -","- C53 H52 Cl2 N2 O2 P2 Ru -","- C212 H208 Cl8 N8 O8 P8 Ru4 -","4","1","","Arai, Noriyoshi; Akashi, Masaya; Sugizaki, Satoshi; Ooka, Hirohito; Inoue, Tsutomu; Ohkuma, Takeshi","Asymmetric hydrogenation of bicyclic ketones catalyzed by BINAP/IPHAN-Ru(II) complex.","Organic letters","2010","12","15","3380","3383","10.1021/ol101200z","","","0.71075","MoKα","","","0.0492","","","","0.1513","","","","","","0.961","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503071","8.673","0.004","10.421","0.005","17.737","0.008","100.899","0.005","94.817","0.005","114.075","0.006","1413.8","1.1","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C11.5 H14.5 B Cl1.5 N3 O2 -","- C11.5 H14.5 B Cl1.5 N3 O2 -","- C46 H58 B4 Cl6 N12 O8 -","4","2","","Ito, Hiroshi; Yumura, Kyohei; Saigo, Kazuhiko","Synthesis, characterization, and binding property of isoelectronic analogues of nucleobases, B(6)-substituted 5-aza-6-borauracils and -thymines.","Organic letters","2010","12","15","3386","3389","10.1021/ol1012058","","","0.7107","MoKα","","0.0988","0.0854","","","0.2533","0.2686","","","","","","1.08","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1503072","8.789","0.005","12.196","0.005","12.799","0.005","83.32","0.005","86.166","0.005","71.603","0.005","1292.3","1","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 B N3 O2 -","- C12 H16 B N3 O2 -","- C48 H64 B4 N12 O8 -","4","2","","Ito, Hiroshi; Yumura, Kyohei; Saigo, Kazuhiko","Synthesis, characterization, and binding property of isoelectronic analogues of nucleobases, B(6)-substituted 5-aza-6-borauracils and -thymines.","Organic letters","2010","12","15","3386","3389","10.1021/ol1012058","","","0.71069","MoKα","","0.0517","0.0454","","","0.132","0.1384","","","","","","1.088","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503073","8.135","0.004","11.106","0.005","14.144","0.006","68.629","0.018","74.897","0.019","77.76","0.02","1139.1","0.9","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 B Cl3 N6 O2 -","- C18 H24 B Cl3 N6 O2 -","- C36 H48 B2 Cl6 N12 O4 -","2","1","","Ito, Hiroshi; Yumura, Kyohei; Saigo, Kazuhiko","Synthesis, characterization, and binding property of isoelectronic analogues of nucleobases, B(6)-substituted 5-aza-6-borauracils and -thymines.","Organic letters","2010","12","15","3386","3389","10.1021/ol1012058","","","0.7107","MoKα","","0.0835","0.0669","","","0.1657","0.1725","","","","","","0.801","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503074","6.8758","0.0004","10.8208","0.0007","12.6521","0.0006","108.628","0.002","94.419","0.002","101.34","0.002","864.64","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H25 Br2 In O2 -","- C13 H25 Br2 In O2 -","- C26 H50 Br4 In2 O4 -","2","1","","Nishimoto, Yoshihiro; Ueda, Hiroki; Inamoto, Yoshihiro; Yasuda, Makoto; Baba, Akio","Regioselective carboindation of simple alkenes with indium tribromide and ketene silyl acetals.","Organic letters","2010","12","15","3390","3393","10.1021/ol1012108","","","0.71075","MoKα","","0.0852","0.0794","","","0.1762","0.1805","","","","","","1.065","","","","has coordinates","288191","2023-12-08","16:39:51",""
"1503075","8.9488","0.0005","17.4208","0.0008","10.2343","0.0006","90","","110.248","0.002","90","","1496.88","0.14","123.1","","123.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Br4 In2 O4 -","- C22 H38 Br4 In2 O4 -","- C44 H76 Br8 In4 O8 -","2","0.5","","Nishimoto, Yoshihiro; Ueda, Hiroki; Inamoto, Yoshihiro; Yasuda, Makoto; Baba, Akio","Regioselective carboindation of simple alkenes with indium tribromide and ketene silyl acetals.","Organic letters","2010","12","15","3390","3393","10.1021/ol1012108","","","0.71075","MoKα","","","0.0581","","","","0.0687","","","","","","1.146","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503076","9.73374","0.00019","10.3541","0.0002","15.0615","0.0003","90","","82.338","0.0011","90","","1504.41","0.05","123.1","","123.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H23 N O -","- C17 H23 N O -","- C68 H92 N4 O4 -","4","1","","Nishimoto, Yoshihiro; Ueda, Hiroki; Inamoto, Yoshihiro; Yasuda, Makoto; Baba, Akio","Regioselective carboindation of simple alkenes with indium tribromide and ketene silyl acetals.","Organic letters","2010","12","15","3390","3393","10.1021/ol1012108","","","1.54187","CuKα","","","0.069","","","","0.0893","","","","","","0.943","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503077","7.387","0.001","11.854","0.001","15.835","0.002","90","","90","","90","","1386.6","0.3","210","2","210","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","guaianolide","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Navickas, Vaidotas; Ushakov, Dmitry B.; Maier, Martin E.; Ströbele, Markus; Meyer, H-Jürgen","Synthesis of the guaianolide ring system via cycloaddition of a bicyclic carbonyl ylide with allyl propiolate.","Organic letters","2010","12","15","3418","3421","10.1021/ol1012185","","","0.71073","MoKα","","0.0526","0.0405","","","0.0801","0.0833","","","","","","0.937","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1503078","11.6103","0.0004","9.3464","0.0003","21.5764","0.0008","90","","104.928","0.001","90","","2262.33","0.14","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C112 H128 O16 -","8","2","","Butler, Jeffrey D.; Conrad, Wayne E.; Lodewyk, Michael W.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J.","Synthesis of substituted chromanones: an organocatalytic aldol/oxa-Michael reaction.","Organic letters","2010","12","15","3410","3413","10.1021/ol101221c","","","1.54178","CuKα","","0.0372","0.0353","","","0.0922","0.0937","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503079","6.4749","0.0002","8.5245","0.0002","23.9058","0.0006","90","","90","","90","","1319.49","0.06","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O -","- C16 H22 O -","- C64 H88 O4 -","4","1","","Butler, Jeffrey D.; Conrad, Wayne E.; Lodewyk, Michael W.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J.","Synthesis of substituted chromanones: an organocatalytic aldol/oxa-Michael reaction.","Organic letters","2010","12","15","3410","3413","10.1021/ol101221c","","","1.54178","CuKα","","0.0336","0.0335","","","0.09","0.09","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503080","6.7284","0.0011","19.087","0.003","10.4396","0.0017","90","","94.175","0.009","90","","1337.1","0.4","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H6 Cl O6 P W -","- C10 H6 Cl O6 P W -","- C40 H24 Cl4 O24 P4 W4 -","4","2","","Mao, Yanli; Mathey, Francois","From furans to phosphinines.","Organic letters","2010","12","15","3384","3385","10.1021/ol1012229","","","0.71073","MoKα","","0.0835","0.0746","","","0.1808","0.1913","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503081","10.0533","0.0004","10.6263","0.0004","13.1213","0.0005","66.685","0.002","78.952","0.001","84.021","0.001","1262.8","0.09","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 O13 P2 W2 -","- C20 H12 O13 P2 W2 -","- C40 H24 O26 P4 W4 -","2","1","","Mao, Yanli; Mathey, Francois","From furans to phosphinines.","Organic letters","2010","12","15","3384","3385","10.1021/ol1012229","","","0.71073","MoKα","","0.0303","0.026","","","0.0623","0.064","","","","","","1.155","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503082","15.679","0.009","16.496","0.01","8.969","0.005","90","","95.185","0.011","90","","2310","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 F6 N2 O3 -","- C25 H24 F6 N2 O3 -","- C100 H96 F24 N8 O12 -","4","1","","Prosser, Anthony R.; Banning, Joseph E.; Rubina, Marina; Rubin, Michael","Formal nucleophilic substitution of bromocyclopropanes with amides en route to conformationally constrained β-amino acid derivatives.","Organic letters","2010","12","18","3968","3971","10.1021/ol101228k","","","0.71073","MoKα","","0.1127","0.0893","","","0.2258","0.2443","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503083","8.3995","0.0011","12.2643","0.0016","17.383","0.002","90","","90","","90","","1790.7","0.4","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C88 H88 N8 O4 -","4","1","","Ignatenko, Vasily A.; Deligonul, Nihal; Viswanathan, Rajesh","Branch-selective synthesis of oxindole and indene scaffolds: transition metal-controlled intramolecular aryl amidation leading to c3 reverse-prenylated oxindoles.","Organic letters","2010","12","16","3594","3597","10.1021/ol1012372","","","0.71073","MoKα","","0.0493","0.0385","","","0.0831","0.0867","","","","","","1.343","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503084","8.2499","0.0009","8.2499","0.0009","42.596","0.01","90","","90","","90","","2899.1","0.8","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C32 H50 N2 O4 -","- C32 H50 N2 O4 -","- C128 H200 N8 O16 -","4","1","","Yang, Yu-Rong; Lai, Zeng-Wei; Shen, Liang; Huang, Jiu-Zhong; Wu, Xing-De; Yin, Jun-Lin; Wei, Kun","Total synthesis of (-)-8-deoxyserratinine via an efficient Helquist annulation and double N-alkylation reaction.","Organic letters","2010","12","15","3430","3433","10.1021/ol1012444","","","0.71073","MoKα","","0.2421","0.0703","","","0.1091","0.1577","","","","","","0.914","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503085","9.977","0.002","5.5033","0.0011","13.198","0.003","90","","108.25","0.03","90","","688.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C32 H26 Br2 O4 -","2","1","","Chen, Zhengwang; Li, Jinghao; Jiang, Huanfeng; Zhu, Shifa; Li, Yibiao; Qi, Chaorong","Silver-catalyzed difunctionalization of terminal alkynes: highly regio- and stereoselective synthesis of (Z)-beta-haloenol acetates.","Organic letters","2010","12","14","3262","3265","10.1021/ol101251n","","","0.71073","MoKα","","0.1777","0.0495","","","0.0961","0.1643","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503086","12.8408","0.0005","15.1873","0.0006","18.453","0.0009","90","","97.9023","0.0015","90","","3564.5","0.3","123.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H49 Ni O P -","- C44 H49 Ni O P -","- C176 H196 Ni4 O4 P4 -","4","1","","Ogoshi, Sensuke; Nishimura, Akira; Ohashi, Masato","Nickel-catalyzed [2 + 2 + 2] cycloaddition of two enones and an alkyne.","Organic letters","2010","12","15","3450","3452","10.1021/ol101264r","","","0.71075","MoKα","","","0.0527","","","","0.132","","","","","","1.061","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503087","10.2808","0.0003","15.2707","0.0005","12.1045","0.0004","90","","95.07","0.002","90","","1892.91","0.1","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H26 O2 -","- C24 H26 O2 -","- C96 H104 O8 -","4","1","","Ogoshi, Sensuke; Nishimura, Akira; Ohashi, Masato","Nickel-catalyzed [2 + 2 + 2] cycloaddition of two enones and an alkyne.","Organic letters","2010","12","15","3450","3452","10.1021/ol101264r","","","1.54186","CuKα","","0.0752","0.0509","","","0.1148","0.1421","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503088","6.08838","0.00012","37.5923","0.0007","9.11131","0.00017","90","","114.271","0.0012","90","","1901.04","0.07","123.1","","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 O2 -","- C24 H26 O2 -","- C96 H104 O8 -","4","1","","Ogoshi, Sensuke; Nishimura, Akira; Ohashi, Masato","Nickel-catalyzed [2 + 2 + 2] cycloaddition of two enones and an alkyne.","Organic letters","2010","12","15","3450","3452","10.1021/ol101264r","","","1.54187","CuKα","","","0.0416","","","","0.1048","","","","","","1.086","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503089","21.4551","0.0014","28.4412","0.0019","8.9866","0.0006","90","","90","","90","","5483.7","0.6","100","1","100","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C95 H139 Cl9 N16 O22 -","- C95 H139 Cl9 N16 O22 -","- C190 H278 Cl18 N32 O44 -","2","0.5","","Fernandes, Carlos; Faure, Sophie; Pereira, Elisabeth; Théry, Vincent; Declerck, Valérie; Guillot, Régis; Aitken, David J.","12-Helix folding of cyclobutane beta-amino acid oligomers.","Organic letters","2010","12","16","3606","3609","10.1021/ol101267u","","x-ray","0.71073","MoKα","","0.0789","0.0637","","","0.1682","0.1808","","","","","","1.022","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503090","15.444","0.004","7.4809","0.0017","14.862","0.003","90","","116.866","0.004","90","","1531.7","0.6","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C21 H12 N2 O2 -","- C21 H12 N2 O2 -","- C84 H48 N8 O8 -","4","1","","Saha, Sukdeb; Ghosh, Amrita; Mahato, Prasenjit; Mishra, Sandhya; Mishra, Sanjiv K.; Suresh, E.; Das, Satyabrata; Das, Amitava","Specific recognition and sensing of CN- in sodium cyanide solution.","Organic letters","2010","12","15","3406","3409","10.1021/ol101281x","","","0.71073","MoKα","","0.1114","0.0934","","","0.172","0.1798","","","","","","1.308","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503091","27.672","0.005","10.248","0.002","13.417","0.003","90","","90","","90","","3804.8","1.3","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H16 Fe N2 O2 -","- C25 H16 Fe N2 O2 -","- C200 H128 Fe8 N16 O16 -","8","1","","Saha, Sukdeb; Ghosh, Amrita; Mahato, Prasenjit; Mishra, Sandhya; Mishra, Sanjiv K.; Suresh, E.; Das, Satyabrata; Das, Amitava","Specific recognition and sensing of CN- in sodium cyanide solution.","Organic letters","2010","12","15","3406","3409","10.1021/ol101281x","","","0.71073","MoKα","","0.0466","0.0382","","","0.1032","0.1105","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503092","15.2284","0.0007","17.6487","0.0008","17.8733","0.0009","90","","90","","90","","4803.7","0.4","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H22 F3 N O2 S -","- C26 H22 F3 N O2 S -","- C208 H176 F24 N8 O16 S8 -","8","1","","Minami, Yasunori; Kuniyasu, Hitoshi; Sanagawa, Atsushi; Kambe, Nobuaki","Pd-catalyzed regioselective iminothiolation of alkynes: a remarkable effect of the CF3 group of iminosulfides.","Organic letters","2010","12","17","3744","3747","10.1021/ol101289k","","","1.54187","CuKα","","0.079","0.0661","","","0.1704","0.1885","","","","","","1.14","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503093","12.393","0.003","5.8186","0.0012","14.691","0.003","90","","111.21","0.03","90","","987.6","0.4","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H24 O -","- C26 H24 O -","- C52 H48 O2 -","2","1","","Chen, Zili; Zhang, Yu-Xin; Wang, Ya-Hui; Zhu, Li-Li; Liu, Heng; Li, Xiao-Xiao; Guo, Lin","Gold catalyzed diastereoselective cascade allylation/enyne cycloisomerization to construct densely functionalized oxygen heterocycles.","Organic letters","2010","12","15","3468","3471","10.1021/ol1012923","","","0.71073","MoKα","","0.0655","0.0441","","","0.0852","0.0959","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503094","23.7529","0.0009","6.5856","0.0003","17.3617","0.0007","90","","90.515","0.002","90","","2715.73","0.19","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","none","1S(R), 2R(S), 4R(S), 5S(R), 8R(S), 9S(R), 11S(R), 12R(S)- pentacyclo[10.2.2.2^5,8^.0^2,11^.0^4,9^]octadeca-6,13-diene-3,10-dione","","- C18 H20 O2 -","- C18 H20 O2 -","- C144 H160 O16 -","8","2","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.0532","0.0442","","","0.1318","0.1423","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503095","23.8832","0.0002","23.8832","0.0002","6.3231","0.0001","90","","90","","120","","3123.53","0.06","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C162 H180 O18 -","9","0.5","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.0492","0.0424","","","0.1566","0.1683","","","","","","1.359","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503096","10.9259","0.0015","11.4009","0.0016","14.825","0.003","100.201","0.008","96.264","0.008","115.471","0.005","1604.8","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","1,3-chlorohydrine","10-chlorotetracyclo[5.3.1.1^9,11^.0^1,6^]dodecan-12-ol","","- C12 H17 Cl O -","- C12 H17 Cl O -","- C72 H102 Cl6 O6 -","6","3","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.1013","0.0318","","","0.0939","0.1119","","","","","","1.003","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503097","22.0572","0.0003","22.0572","0.0003","11.2664","0.0002","90","","90","","120","","4746.97","0.12","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","none","R(S)-2-chlorotetracyclo[7.2.1.0^3,8^.0^4,12^]dodecan-4-ol","","- C12 H17 Cl O -","- C12 H17 Cl O -","- C216 H306 Cl18 O18 -","18","1","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.0291","0.0277","","","0.1395","0.1505","","","","","","0.712","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503098","11.5914","0.0007","14.8542","0.0009","21.2577","0.0012","90","","96.95","0.003","90","","3633.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","2-chlorotetracyclo[7.2.2.0^3,8^.0^3,10^]tridecan-11-ol","","- C13 H19 Cl O -","- C13 H18.3333 Cl O -","- C156 H220 Cl12 O12 -","12","3","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.0622","0.0466","","","0.1369","0.1521","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503099","19.5539","0.0005","6.3547","0.0002","12.0615","0.0003","90","","100.778","0.002","90","","1472.31","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","test","test","","- C18 H21 Cl O2 -","- C18 H21 Cl O2 -","- C72 H84 Cl4 O8 -","4","1","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.1244","0.0689","","","0.1644","0.2094","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503100","18.9939","0.0003","7.0672","0.0001","21.2043","0.0004","90","","90","","90","","2846.33","0.08","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 Cl O2 -","- C18 H21 Cl O2 -","- C144 H168 Cl8 O16 -","8","1","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.0325","0.0316","","","0.0895","0.0909","","","","","","0.91","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503101","6.3057","0.0001","10.0701","0.0001","11.3997","0.0001","79.458","0.001","81.737","0.001","77.069","0.001","689.603","0.015","100","2","100","2","","","","","","","","3","P -1","-P 1","2","spirohemiacetal","spiro[13-hydroxy-3,12-dioxatetracyclo[5.2.2^5,8^.0^5,6^]tridecane- 4,5'-bicyclo[2.2.2]oct[2]ene]","","- C18 H22 O1.5 -","- C18 H22 O3 -","- C36 H44 O6 -","2","1","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.0417","0.0396","","","0.1138","0.1182","","","","","","0.614","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503102","10.613","0.003","10.756","0.003","33.591","0.008","90","","90","","90","","3834.5","1.8","220","2","220","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H55 Cl2 N O10 -","- C36 H51 Cl2 N O10 -","- C144 H204 Cl8 N4 O40 -","4","1","","Igarashi, Yasuhiro; Kim, Youngju; In, Yasuko; Ishida, Toshimasa; Kan, Yukiko; Fujita, Tsuyoshi; Iwashita, Takashi; Tabata, Hirokazu; Onaka, Hiroyasu; Furumai, Tamotsu","Alchivemycin A, a bioactive polycyclic polyketide with an unprecedented skeleton from Streptomyces sp.","Organic letters","2010","12","15","3402","3405","10.1021/ol1012982","","","0.71073","MoKα","","0.1058","0.087","","","0.2069","0.2197","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503103","9.5151","0.0016","9.9721","0.0017","10.8051","0.0018","86.882","0.002","89.898","0.002","75.105","0.002","989.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 F3 O -","- C24 H23 F3 O -","- C48 H46 F6 O2 -","2","1","","Yang, Chun-Ming; Jeganmohan, Masilamani; Parthasarathy, Kanniyappan; Cheng, Chien-Hong","Highly selective nickel-catalyzed three-component coupling of alkynes with enones and alkenyl boronic acids: a novel route to substituted 1,3-dienes","Organic Letters","2010","12","16","3610","3613","10.1021/ol101319f","","","0.71073","MoKα","","0.0669","0.0481","","","0.121","0.1329","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503104","5.3565","0.0001","7.6392","0.0002","10.099","0.0002","76.068","0.001","85.27","0.001","86.338","0.001","399.308","0.015","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C19 H20 O4 -","1","1","","Yang, Chun-Ming; Jeganmohan, Masilamani; Parthasarathy, Kanniyappan; Cheng, Chien-Hong","Highly selective nickel-catalyzed three-component coupling of alkynes with enones and alkenyl boronic acids: a novel route to substituted 1,3-dienes","Organic Letters","2010","12","16","3610","3613","10.1021/ol101319f","","","0.71073","MoKα","","0.0322","0.0295","","","0.074","0.0757","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503105","13.0998","0.0002","6.0571","0.0001","11.6096","0.0001","90","","98.514","0.001","90","","911.03","0.02","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H5 Cl F O2 -","- C11 H5 Cl F O2 -","- C44 H20 Cl4 F4 O8 -","4","1","","Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; White, Andrew J. P.; Drew, Michael G. B.; Gan, Yu","Bis(hydroxy-isoindolinone)s: synthesis, stereochemistry, polymer chemistry, and supramolecular assembly.","Organic letters","2010","12","17","3756","3759","10.1021/ol101338m","","","0.71073","MoKα","","0.0369","0.0308","","","0.093","0.1019","","","","","","0.439","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503106","9.124","0.0003","12.5563","0.0005","15.4232","0.0005","108.753","0.003","100.834","0.003","98.211","0.003","1603.59","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H34 F2 O4 -","- C58 H34 F2 O4 -","- C58 H34 F2 O4 -","1","0.5","","Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; White, Andrew J. P.; Drew, Michael G. B.; Gan, Yu","Bis(hydroxy-isoindolinone)s: synthesis, stereochemistry, polymer chemistry, and supramolecular assembly.","Organic letters","2010","12","17","3756","3759","10.1021/ol101338m","","","1.54184","CuKα","","0.1221","0.1104","","","0.3098","0.3192","","","","","","1.155","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503107","37.353","0.006","15.704","0.002","7.5165","0.0011","90","","90","","90","","4409.1","1.1","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C56 H36 F2 N2 O5 -","- C56 H32 F2 N2 O5 -","- C224 H128 F8 N8 O20 -","4","0.5","","Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; White, Andrew J. P.; Drew, Michael G. B.; Gan, Yu","Bis(hydroxy-isoindolinone)s: synthesis, stereochemistry, polymer chemistry, and supramolecular assembly.","Organic letters","2010","12","17","3756","3759","10.1021/ol101338m","","","1.54248","CuKα","","0.1199","0.0716","","","0.167","0.1948","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503108","12.0725","0.0005","22.6806","0.001","32.2434","0.0014","84.168","0.004","85.204","0.004","74.958","0.004","8466.9","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H45 F N3 O12 S2 -","- C78 H45 F N3 O12 S2 -","- C312 H180 F4 N12 O48 S8 -","4","2","","Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; White, Andrew J. P.; Drew, Michael G. B.; Gan, Yu","Bis(hydroxy-isoindolinone)s: synthesis, stereochemistry, polymer chemistry, and supramolecular assembly.","Organic letters","2010","12","17","3756","3759","10.1021/ol101338m","","","1.54184","CuKα","","0.1952","0.1487","","","0.3563","0.3702","","","","","","1.841","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503109","8.572","0.003","9.6617","0.0015","13.723","0.002","93.667","0.013","92.869","0.018","96.67","0.017","1124.6","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 F2 N6 O8 -","- C48 H54 F2 N6 O8 -","- C48 H54 F2 N6 O8 -","1","0.5","","Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; White, Andrew J. P.; Drew, Michael G. B.; Gan, Yu","Bis(hydroxy-isoindolinone)s: synthesis, stereochemistry, polymer chemistry, and supramolecular assembly.","Organic letters","2010","12","17","3756","3759","10.1021/ol101338m","","","0.71073","MoKα","","0.0967","0.0586","","","0.1835","0.1964","","","","","","0.944","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503110","7.4222","0.0015","9.2295","0.0018","13.544","0.003","85","0.03","74.87","0.03","84.77","0.03","890","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C36 H48 O10 -","2","1","","Patel, Paresma R.; Boger, Dale L.","Intramolecular Diels-Alder reactions of cyclopropenone ketals.","Organic letters","2010","12","15","3540","3543","10.1021/ol101375a","","","0.71073","MoKα","","0.1396","0.0805","","","0.1532","0.1776","","","","","","1.088","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503111","19.271","0.004","9.716","0.0019","17.52","0.004","90","","117.04","0.03","90","","2921.8","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H21 N O3 -","- C128 H168 N8 O24 -","8","2","","Patel, Paresma R.; Boger, Dale L.","Intramolecular Diels-Alder reactions of cyclopropenone ketals.","Organic letters","2010","12","15","3540","3543","10.1021/ol101375a","","","0.71073","MoKα","","0.0732","0.0491","","","0.1098","0.1213","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503112","8.2637","0.0011","12.0452","0.0017","13.7503","0.0019","76.768","0.003","80.817","0.003","69.691","0.003","1244.7","0.3","223.1","","223.3","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H21 N3 O6 -","- C30 H21 N3 O6 -","- C60 H42 N6 O12 -","2","1","","Jones, Ian M.; Hamilton, Andrew D.","Designed molecular switches: controlling the conformation of benzamido-diphenylacetylenes.","Organic letters","2010","12","16","3651","3653","10.1021/ol101397y","","","0.71075","MoKα","","","0.0603","","","","0.145","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503113","9.211","0.002","10.794","0.002","11.994","0.004","106.031","0.005","96.445","0.005","112.428","0.003","1027.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 Br2 O2 -","- C22 H28 Br2 O2 -","- C44 H56 Br4 O4 -","2","1","","Shenvi, Ryan A.; Corey, E. J.","Synthetic access to bent polycycles by cation-pi cyclization.","Organic letters","2010","12","15","3548","3551","10.1021/ol101410g","","","0.71073","MoKα","","0.0444","0.0316","","","0.0698","0.0739","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503114","19.335","0.002","7.4272","0.001","20.267","0.003","90","","104.272","0.002","90","","2820.6","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H68 Br4 O7 -","- C58 H68 Br4 O7 -","- C116 H136 Br8 O14 -","2","1","","Shenvi, Ryan A.; Corey, E. J.","Synthetic access to bent polycycles by cation-pi cyclization.","Organic letters","2010","12","15","3548","3551","10.1021/ol101410g","","","0.71073","MoKα","","0.0924","0.0559","","","0.1243","0.1317","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503115","13.6877","0.001","9.8076","0.0007","15.7743","0.0011","90","","90.763","0.003","90","","2117.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C96 H120 N8 O20 -","4","1","","Kulyk, Svitlana; Dougherty, Jr, William G; Kassel, W. Scott; Fleming, Steven A.; Sieburth, Scott McN","Enyne [4 + 4] photocycloaddition: bridged 1,2,5-cyclooctatrienes.","Organic letters","2010","12","15","3296","3299","10.1021/ol1014174","","","0.71073","MoKα","","0.1239","0.0647","","","0.1582","0.1875","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503116","8.274","0.0009","10.2749","0.0011","23.741","0.003","90","","90","","90","","2018.3","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","10026a","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Li, Hongyan; Hsung, Richard P.; DeKorver, Kyle A.; Wei, Yonggang","Copper-catalyzed Ficini [2 + 2] cycloaddition of ynamides.","Organic letters","2010","12","17","3780","3783","10.1021/ol101418d","","","0.71073","MoKα","","0.0504","0.0371","","","0.0838","0.0911","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503117","5.7619","0.0001","19.3032","0.0002","29.1369","0.0005","90","","90","","90","","3240.7","0.09","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 Cl3 N2 O6 S -","- C33 H33 Cl3 N2 O6 S -","- C132 H132 Cl12 N8 O24 S4 -","4","1","","Li, Meiling; Dixon, Darren J.","Stereoselective spirolactam synthesis via palladium catalyzed arylative allene carbocyclization cascades.","Organic letters","2010","12","17","3784","3787","10.1021/ol101425y","","","0.71073","MoKα","","0.088","0.0517","","0.133","0.1024","0.133","","","","","","0.9472","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503118","8.8667","0.0018","9.048","0.0018","11.101","0.002","105.71","0.03","98.61","0.03","96.29","0.03","837.1","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C34 H38 N2 O12 -","2","1","","Xu, Silong; Zou, Wen; Wu, Guiping; Song, Haibin; He, Zhengjie","Stereoselective synthesis of 1,2,3,4-tetrasubstituted dienes from allenoates and aldehydes: an observation of phosphine-induced chemoselectivity.","Organic letters","2010","12","15","3556","3559","10.1021/ol101429z","","","0.71073","MoKα","","0.0852","0.0618","","","0.1422","0.1508","","","","","","0.613","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503119","14.985","0.003","7.503","0.0014","15.386","0.003","90","","108.888","0.011","90","","1636.7","0.6","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","","Xu, Silong; Zou, Wen; Wu, Guiping; Song, Haibin; He, Zhengjie","Stereoselective synthesis of 1,2,3,4-tetrasubstituted dienes from allenoates and aldehydes: an observation of phosphine-induced chemoselectivity.","Organic letters","2010","12","15","3556","3559","10.1021/ol101429z","","","1.54187","CuKα","","0.0569","0.0523","","","0.1324","0.1479","","","","","","1.121","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503120","21.328","0.003","21.328","0.003","29.108","0.006","90","","90","","120","","11467","3","293","2","293","2","","","","","","","synthesis","4","P 31","P 31","144","","Boc-(Leu-Leu-Ac5c[OMe])2-OMe","","- C44 H78 N6 O11 -","- C44 H78 N6 O11 -","- C396 H702 N54 O99 -","9","3","","Nagano, Masanobu; Doi, Mitsunobu; Kurihara, Masaaki; Suemune, Hiroshi; Tanaka, Masakazu","Stabilized alpha-helix-catalyzed enantioselective epoxidation of alpha,beta-unsaturated ketones.","Organic letters","2010","12","15","3564","3566","10.1021/ol101435w","","","0.71073","MoKα","","0.1047","0.0951","","","0.2649","0.2788","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503121","12.247","0.002","15.641","0.003","77.051","0.015","90","","90","","90","","14760","5","240","2","240","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-{L-Leu-L-Leu-[(1S,3S)-Ac5c(OM)]}3-OMe","","- C63 H115 N9 O17 -","- C63 H115 N9 O17 -","- C504 H920 N72 O136 -","8","2","","Nagano, Masanobu; Doi, Mitsunobu; Kurihara, Masaaki; Suemune, Hiroshi; Tanaka, Masakazu","Stabilized alpha-helix-catalyzed enantioselective epoxidation of alpha,beta-unsaturated ketones.","Organic letters","2010","12","15","3564","3566","10.1021/ol101435w","","","0.71073","MoKα","","0.0948","0.083","","","0.219","0.2274","","","","","","1.089","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503122","11.2535","0.0009","11.6895","0.0009","19.1693","0.0015","86.46","0.001","80.779","0.001","87.428","0.001","2482.8","0.3","240","2","240","2","","","","","","","synthesis","4","P 1","P 1","1","","H2N-{L-Leu-L-Leu-[(S,S)-Ac5c(dOM)]}4-OMe","","- C84 H151 N13 O22 -","- C84 H151 N13 O22 -","- C84 H151 N13 O22 -","1","1","","Nagano, Masanobu; Doi, Mitsunobu; Kurihara, Masaaki; Suemune, Hiroshi; Tanaka, Masakazu","Stabilized alpha-helix-catalyzed enantioselective epoxidation of alpha,beta-unsaturated ketones.","Organic letters","2010","12","15","3564","3566","10.1021/ol101435w","","","0.71073","MoKα","","0.0885","0.0793","","","0.2193","0.2311","","","","","","1.094","","","","has coordinates,has disorder","301775","2025-08-18","14:01:18",""
"1503123","13.5739","0.0016","15.7377","0.0017","11.1867","0.0013","90","","101.209","0.002","90","","2344.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O6 S -","- C24 H24 N2 O6 S -","- C96 H96 N8 O24 S4 -","4","1","","Zhu, Zhi-Bin; Shi, Min","Ruthenium-catalyzed tandem ring-opening/ring-closing/cross-metathesis of 1,6-cyclopropene-ynes and olefins for the construction of the 3-pyrroline skeleton.","Organic letters","2010","12","20","4462","4465","10.1021/ol101455c","","","0.71073","MoKα","","0.0889","0.064","","","0.1604","0.1749","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503124","8.925","0.005","13.408","0.007","17.122","0.009","90","","91.162","0.007","90","","2048.5","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N2 O -","- C11 H14 N2 O -","- C88 H112 N16 O8 -","8","2","","Wei, Ying; Liu, Jing; Lin, Shaoxia; Ding, Hongqian; Liang, Fushun; Zhao, Baozhong","Acetoacetanilides as masked isocyanates: facile and efficient synthesis of unsymmetrically substituted ureas","Organic Letters","2010","12","19","4220","4223","10.1021/ol101474f","","","0.71069","MoKα","","0.274","0.079","","","0.1798","0.2817","","","","","","0.922","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503125","11.309","0.002","11.587","0.002","16.784","0.004","87.93","0.003","80.536","0.003","86.22","0.003","2164","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Br N3 O4 -","- C23 H20 Br N3 O4 -","- C92 H80 Br4 N12 O16 -","4","2","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.0843","0.0656","","","0.2006","0.2093","","","","","","1.117","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503126","14.308","0.002","14.59","0.002","19.733","0.003","101.072","0.002","100.8","0.002","110.784","0.002","3630.1","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22.66667 H19.66667 Cl2 N3 O4.66667 -","- C22 H17 Cl2 N3 O4 -","- C132 H102 Cl12 N18 O24 -","6","3","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.103","0.0547","","","0.1494","0.1669","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503127","11.9281","0.0015","10.2727","0.0013","22.909","0.003","90","","109.026","0.005","90","","2653.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl N3 O4 -","- C26 H20 Cl N3 O4 -","- C104 H80 Cl4 N12 O16 -","4","1","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.0708","0.0487","","","0.1434","0.1568","","","","","","1.12","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503128","10.6943","0.0013","25.494","0.003","8.9322","0.0011","90","","103.349","0.002","90","","2369.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Cl N2 O6 -","- C25 H25 Cl N2 O6 -","- C100 H100 Cl4 N8 O24 -","4","1","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.0848","0.0531","","","0.1172","0.1364","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503129","10.8467","0.0019","16.631","0.003","17.796","0.003","112.348","0.002","97.654","0.002","105.826","0.002","2753.5","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 Br N2 O7 -","- C27 H29 Br N2 O7 -","- C108 H116 Br4 N8 O28 -","4","2","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.1505","0.0676","","","0.168","0.2107","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503130","10.3872","0.0014","11.3862","0.0015","11.9876","0.0016","69.288","0.001","72.049","0.001","85.319","0.002","1261","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Cl N2 O6 -","- C28 H25 Cl N2 O6 -","- C56 H50 Cl2 N4 O12 -","2","1","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.0436","0.0389","","","0.1132","0.1181","","","","","","1.075","","","","has coordinates","301775","2025-08-18","14:01:18",""
"1503131","7.9609","0.0011","11.5503","0.0016","15.081","0.002","78.065","0.002","83.794","0.002","89.496","0.002","1348.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 Cl N2 O5 -","- C29 H33 Cl N2 O5 -","- C58 H66 Cl2 N4 O10 -","2","1","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.058","0.0434","","","0.1268","0.147","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503132","10.8157","0.0015","12.2522","0.0017","12.6256","0.0017","101.082","0.002","110.327","0.002","109.908","0.002","1380.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 Cl2 N2 O5 -","- C28 H30 Cl2 N2 O5 -","- C56 H60 Cl4 N4 O10 -","2","1","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.0513","0.0443","","","0.1159","0.1217","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503133","11.156","0.008","26.984","0.018","11.394","0.008","90","","110.121","0.009","90","","3221","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl N3 O5 -","- C23 H22 Cl N3 O5 -","- C92 H88 Cl4 N12 O20 -","4","1","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.1372","0.0763","","","0.154","0.1656","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503134","6.207","0.004","11.28","0.01","19.29","0.01","90.298","0.008","95.025","0.008","99.589","0.008","1326.3","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H58 Cl2 N6 O14 -","- C54 H58 Cl2 N6 O14 -","- C54 H58 Cl2 N6 O14 -","1","0.5","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.1513","0.0976","","","0.2522","0.2804","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503135","9.799","0.002","11.072","0.002","13.689","0.003","70.157","0.004","78.535","0.004","70.146","0.004","1308.1","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H22 O4 -","- C36 H22 O4 -","- C72 H44 O8 -","2","1","","Gong, Jian; Xie, Fuchun; Chen, Hong; Hu, Youhong","An efficient approach to functionalized benzo[a]xanthones through reactions of 2-methyl-3-(1-alkynyl)chromones with electron-deficient chromone-fused dienes.","Organic letters","2010","12","17","3848","3851","10.1021/ol101496w","","","0.71073","MoKα","","0.074","0.0568","","","0.1458","0.1571","","","","","","0.954","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503136","7.0113","0.0015","11.773","0.003","17.526","0.004","88.586","0.004","84.72","0.004","81.072","0.004","1423","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H28 O7 -","- C35 H20 O7 -","- C70 H40 O14 -","2","1","","Gong, Jian; Xie, Fuchun; Chen, Hong; Hu, Youhong","An efficient approach to functionalized benzo[a]xanthones through reactions of 2-methyl-3-(1-alkynyl)chromones with electron-deficient chromone-fused dienes.","Organic letters","2010","12","17","3848","3851","10.1021/ol101496w","","","0.71073","MoKα","","0.159","0.0816","","","0.2065","0.2377","","","","","","0.875","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503137","11.0204","0.0005","8.2388","0.0005","12.1197","0.0006","90","","90","","90","","1100.41","0.1","100","2","100","2","","","","","","","synthesis as described","3","P c a 21","P 2c -2ac","29","","","","- C13 H14 O4 -","- C13 H14 O4 -","- C52 H56 O16 -","4","1","","Cordes, Jens; Harms, Klaus; Koert, Ulrich","Synthesis of the isoquinocycline-pyrrolopyrrole substructure.","Organic letters","2010","12","17","3808","3811","10.1021/ol101500k","","x-ray","0.71073","MoKα","","0.0247","0.0235","","","0.0587","0.0591","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503138","16.3448","0.001","7.0192","0.0003","23.9179","0.0015","90","","98.978","0.005","90","","2710.4","0.3","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C23.5 H35 N O5.5 Si -","- C21 H29 N O5 Si -","- C84 H116 N4 O20 Si4 -","4","1","","Cordes, Jens; Harms, Klaus; Koert, Ulrich","Synthesis of the isoquinocycline-pyrrolopyrrole substructure.","Organic letters","2010","12","17","3808","3811","10.1021/ol101500k","","x-ray","0.71073","MoKα","","0.1153","0.0665","","","0.1436","0.1585","","","","","","0.913","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503139","35.8162","0.0015","35.8162","0.0015","12.6101","0.0005","90","","90","","120","","14009","1","100","2","100","2","","","","","","","synthesis as described","6","R -3 :H","-R 3","148","","","","- C31 H40 N2 O5 S Si -","- C31 H40 N2 O5 S Si -","- C558 H720 N36 O90 S18 Si18 -","18","1","","Cordes, Jens; Harms, Klaus; Koert, Ulrich","Synthesis of the isoquinocycline-pyrrolopyrrole substructure.","Organic letters","2010","12","17","3808","3811","10.1021/ol101500k","","x-ray","0.71073","MoKα","","0.07","0.033","","","0.0601","0.0644","","","","","","0.742","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503140","19.0772","0.0007","6.9067","0.0003","9.685","0.0003","90","","90","","90","","1276.1","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","dimethylphenyl squaramide","3-(4-(N,N-dimethylamino)phenylamino)-4-hydroxycyclobut-3-ene-1,2-dione","","- C12 H16.72 N2 O5.36 -","- C12 H12 N2 O5.362 -","- C48 H48 N8 O21.448 -","4","0.5","","Sanna, Elena; Martínez, Luis; Rotger, Carmen; Blasco, Salvador; González, Jorge; García-España, Enrique; Costa, Antoni","Squaramide-based reagent for selective chromogenic sensing of Cu(II) through a zwitterion radical.","Organic letters","2010","12","17","3840","3843","10.1021/ol101514y","","","0.71073","MoKα","","0.1343","0.0622","","","0.1699","0.2044","","","","","","1.179","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503141","10.1519","0.0005","10.3366","0.0006","18.7036","0.0009","90","","99.174","0.003","90","","1937.58","0.18","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl3 N O6 S -","- C14 H18 Cl3 N O6 S -","- C56 H72 Cl12 N4 O24 S4 -","4","1","","Nörder, Anike; Herrmann, Pavel; Herdtweck, Eberhard; Bach, Thorsten","Acyclic stereocontrol in the catalytic C-H amination of benzylic methylene groups.","Organic letters","2010","12","16","3690","3692","10.1021/ol101517v","","","0.71073","MoKα","","0.0498","0.0461","","","0.1122","0.1164","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503142","11.4476","0.0005","17.433","0.0007","12.0145","0.0005","90","","104.311","0.002","90","","2323.28","0.17","173","1","173","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Cl3 N O7 P S -","- C16 H25 Cl3 N O7 P S -","- C64 H100 Cl12 N4 O28 P4 S4 -","4","1","","Nörder, Anike; Herrmann, Pavel; Herdtweck, Eberhard; Bach, Thorsten","Acyclic stereocontrol in the catalytic C-H amination of benzylic methylene groups.","Organic letters","2010","12","16","3690","3692","10.1021/ol101517v","","","0.71073","MoKα","","0.0353","0.0328","","","0.088","0.09","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503143","11.6761","0.0004","20.3879","0.0007","9.3747","0.0003","90","","90","","90","","2231.66","0.13","293","1","293","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H20 Cl3 N O6 S2 -","- C18 H20 Cl3 N O6 S2 -","- C72 H80 Cl12 N4 O24 S8 -","4","1","","Nörder, Anike; Herrmann, Pavel; Herdtweck, Eberhard; Bach, Thorsten","Acyclic stereocontrol in the catalytic C-H amination of benzylic methylene groups.","Organic letters","2010","12","16","3690","3692","10.1021/ol101517v","","","1.5418","CuKα","","0.0513","0.0482","","","0.1238","0.127","","","","","","1.086","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503144","9.1997","0.0004","19.5983","0.0008","9.8197","0.0004","90","","95.769","0.002","90","","1761.51","0.13","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Cl3 N2 O6 S -","- C12 H15 Cl3 N2 O6 S -","- C48 H60 Cl12 N8 O24 S4 -","4","1","","Nörder, Anike; Herrmann, Pavel; Herdtweck, Eberhard; Bach, Thorsten","Acyclic stereocontrol in the catalytic C-H amination of benzylic methylene groups.","Organic letters","2010","12","16","3690","3692","10.1021/ol101517v","","","0.71073","MoKα","","0.0601","0.0434","","","0.0949","0.1032","","","","","","1.13","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503145","22.6616","0.0014","6.417","0.0003","13.3006","0.0008","90","","90","","90","","1934.17","0.19","173","1","173","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H18 Cl3 N O6 S -","- C14 H18 Cl3 N O6 S -","- C56 H72 Cl12 N4 O24 S4 -","4","1","","Nörder, Anike; Herrmann, Pavel; Herdtweck, Eberhard; Bach, Thorsten","Acyclic stereocontrol in the catalytic C-H amination of benzylic methylene groups.","Organic letters","2010","12","16","3690","3692","10.1021/ol101517v","","","0.71073","MoKα","","0.0188","0.0186","","","0.0512","0.0515","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503146","11.595","0.0019","12.1153","0.0019","13.243","0.002","73.015","0.002","77.927","0.002","74.042","0.002","1693.8","0.5","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H51 F2 N4 O6 -","- C34 H51 F2 N4 O6 -","- C68 H102 F4 N8 O12 -","2","1","","Zeika, Olaf; Li, Yongjun; Jockusch, Steffen; Parkin, Gerard; Sattler, Aaron; Sattler, Wesley; Turro, Nicholas J.","Synthesis of polynitroxides based on nucleophilic aromatic substitution.","Organic letters","2010","12","16","3696","3699","10.1021/ol101529u","","","0.71073","MoKα","","0.0715","0.0447","","","0.1044","0.1174","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503147","10.7868","0.0007","11.377","0.0007","12.9981","0.0008","90","","90","","90","","1595.15","0.17","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 F4 N2 O2 -","- C16 H17 F4 N2 O2 -","- C64 H68 F16 N8 O8 -","4","1","","Zeika, Olaf; Li, Yongjun; Jockusch, Steffen; Parkin, Gerard; Sattler, Aaron; Sattler, Wesley; Turro, Nicholas J.","Synthesis of polynitroxides based on nucleophilic aromatic substitution.","Organic letters","2010","12","16","3696","3699","10.1021/ol101529u","","","0.71073","MoKα","","0.0419","0.0337","","","0.0871","0.0923","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503148","16.1428","0.001","7.6731","0.0005","20.8194","0.0013","90","","98.721","0.001","90","","2549","0.3","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 F3 N3 O4 -","- C25 H34 F3 N3 O4 -","- C100 H136 F12 N12 O16 -","4","1","","Zeika, Olaf; Li, Yongjun; Jockusch, Steffen; Parkin, Gerard; Sattler, Aaron; Sattler, Wesley; Turro, Nicholas J.","Synthesis of polynitroxides based on nucleophilic aromatic substitution.","Organic letters","2010","12","16","3696","3699","10.1021/ol101529u","","","0.71073","MoKα","","0.0484","0.0401","","","0.1108","0.1184","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503149","28.068","0.002","11.6716","0.001","16.1222","0.0014","90","","124.007","0.001","90","","4378.3","0.6","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H68 N6 O8 -","- C42 H68 N6 O8 -","- C168 H272 N24 O32 -","4","0.5","","Zeika, Olaf; Li, Yongjun; Jockusch, Steffen; Parkin, Gerard; Sattler, Aaron; Sattler, Wesley; Turro, Nicholas J.","Synthesis of polynitroxides based on nucleophilic aromatic substitution.","Organic letters","2010","12","16","3696","3699","10.1021/ol101529u","","","0.71073","MoKα","","0.0558","0.0412","","","0.1046","0.1145","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503150","6.8149","0.001","14.637","0.002","14.679","0.002","90","","90","","90","","1464.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O2 -","- C17 H15 Br O2 -","- C68 H60 Br4 O8 -","4","1","","Shao, Cheng; Yu, Hong-Jie; Wu, Nuo-Yi; Feng, Chen-Guo; Lin, Guo-Qiang","C1-symmetric dicyclopentadienes as new chiral diene ligands for asymmetric rhodium-catalyzed arylation of N-tosylarylimines.","Organic letters","2010","12","17","3820","3823","10.1021/ol101531r","","","0.71073","MoKα","","0.0725","0.037","","","0.0739","0.0812","","","","","","0.954","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503151","13.5681","0.0003","8.1292","0.0001","15.1521","0.0003","90","","107.156","0.002","90","","1596.88","0.05","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","2","","Yu, Jie; Chen, Wei-Jie; Gong, Liu-Zhu","Kinetic resolution of racemic 2,3-allenoates by organocatalytic asymmetric 1,3-dipolar cycloaddition.","Organic letters","2010","12","18","4050","4053","10.1021/ol101544c","","","1.54184","CuKα","","0.0699","0.0639","","","0.17","0.1756","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503152","19.0234","0.001","10.3429","0.0004","14.4289","0.0008","90","","112.754","0.006","90","","2618","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O0 S -","- C16 H12 N2 S -","- C128 H96 N16 S8 -","8","1","","Xu, Hui; Zhang, Yin; Huang, Jianqiang; Chen, Wanzhi","Copper-catalyzed synthesis of N-fused heterocycles through regioselective 1,2-aminothiolation of 1,1-dibromoalkenes.","Organic letters","2010","12","16","3704","3707","10.1021/ol101563f","","","0.71073","MoKα","","0.069","0.0368","","","0.0765","0.0824","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503153","8.7689","0.0003","24.7018","0.0006","9.0693","0.0004","90","","112.788","0.005","90","","1811.14","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 Br N2 O0 S -","- C17 H23 Br N2 S -","- C68 H92 Br4 N8 S4 -","4","1","","Xu, Hui; Zhang, Yin; Huang, Jianqiang; Chen, Wanzhi","Copper-catalyzed synthesis of N-fused heterocycles through regioselective 1,2-aminothiolation of 1,1-dibromoalkenes.","Organic letters","2010","12","16","3704","3707","10.1021/ol101563f","","","1.54184","CuKα","","0.0561","0.0418","","","0.1122","0.1219","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503154","5.7679","0.0007","8.2804","0.001","12.9064","0.0016","74.09","0.002","88.512","0.002","85.529","0.002","590.99","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cl N2 O -","- C14 H11 Cl N2 O -","- C28 H22 Cl2 N4 O2 -","2","1","","Urgaonkar, Sameer; Cortese, Joseph F.; Barker, Robert H.; Cromwell, Mandy; Serrano, Adelfa E.; Wirth, Dyann F.; Clardy, Jon; Mazitschek, Ralph","A concise silylamine approach to 2-amino-3-hydroxy-indoles with potent in vivo antimalaria activity.","Organic letters","2010","12","18","3998","4001","10.1021/ol101566h","","","0.71073","MoKα","","0.0358","0.0333","","","0.0893","0.0914","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503155","11.937","0.004","14.935","0.004","19.399","0.007","90","","90","","90","","3458.4","1.9","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H37 N4 Ni O4 -","- C42 H37 N4 Ni O4 -","- C168 H148 N16 Ni4 O16 -","4","1","","Dong, Zhenzhen; Plampin, 3rd, James N; Yap, Glenn P. A.; Fox, Joseph M.","Minimalist end groups for control of absolute helicity in salen- and salophen-based metallofoldamers.","Organic letters","2010","12","18","4002","4005","10.1021/ol101583v","","","0.71073","MoKα","","0.0458","0.0403","","","0.0985","0.1032","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503156","12.3092","0.0019","12.3128","0.0019","12.973","0.002","90.061","0.002","102.664","0.002","98.557","0.002","1895.9","0.5","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C43 H44 Cl2 N4 Ni O4 -","- C43 H44 Cl2 N4 Ni O4 -","- C86 H88 Cl4 N8 Ni2 O8 -","2","2","","Dong, Zhenzhen; Plampin, 3rd, James N; Yap, Glenn P. A.; Fox, Joseph M.","Minimalist end groups for control of absolute helicity in salen- and salophen-based metallofoldamers.","Organic letters","2010","12","18","4002","4005","10.1021/ol101583v","","","0.71073","MoKα","","0.0465","0.0441","","","0.1056","0.1088","","","","","","1.016","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503157","7.6795","0.0002","8.1287","0.0002","21.2564","0.0005","90","","99.965","0.001","90","","1306.9","0.06","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H33 N3 O5 S Si -","- C21 H33 N3 O5 S Si -","- C42 H66 N6 O10 S2 Si2 -","2","1","","Kelley, Brandon T.; Joullié, Madeleine M","Ring opening of a trisubstituted aziridine with amines: regio- and stereoselective formation of substituted 1,2-diamines.","Organic letters","2010","12","19","4244","4247","10.1021/ol101584z","","","0.71073","MoKα","","0.0299","0.0288","","","0.0776","0.0784","","","","","","1.039","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503158","31.131","0.003","7.805","0.0007","22.844","0.002","90","","110.163","0.004","90","","5210.4","0.8","143","1","143","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H35 N3 O6 S Si -","- C22 H35 N3 O6 S Si -","- C176 H280 N24 O48 S8 Si8 -","8","2","","Kelley, Brandon T.; Joullié, Madeleine M","Ring opening of a trisubstituted aziridine with amines: regio- and stereoselective formation of substituted 1,2-diamines.","Organic letters","2010","12","19","4244","4247","10.1021/ol101584z","","","0.71073","MoKα","","0.0288","0.0249","","","0.0677","0.076","","","","","","1.114","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503159","7.2155","0.0004","7.3686","0.0004","21.8244","0.0011","90","","91.207","0.003","90","","1160.11","0.11","158","1","158","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H28 N2 O5 S Si -","- C19 H28 N2 O5 S Si -","- C38 H56 N4 O10 S2 Si2 -","2","1","","Kelley, Brandon T.; Joullié, Madeleine M","Ring opening of a trisubstituted aziridine with amines: regio- and stereoselective formation of substituted 1,2-diamines.","Organic letters","2010","12","19","4244","4247","10.1021/ol101584z","","","0.71073","MoKα","","0.058","0.0432","","","0.1026","0.1108","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503160","10.513","0.001","21.209","0.002","19.5593","0.0019","90","","90.309","0.002","90","","4361.1","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C208 H176 N16 O32 -","8","2","","Gao, Meng; Yang, Yan; Wu, Yan-Dong; Deng, Cong; Shu, Wen-Ming; Zhang, Dong-Xue; Cao, Li-Ping; She, Neng-Fang; Wu, An-Xin","An efficient synthesis of hydantoins via sustainable integration of coupled domino processes.","Organic letters","2010","12","18","4026","4029","10.1021/ol1015948","","","0.71073","MoKα","","0.0885","0.0727","","","0.1637","0.1724","","","","","","1.148","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503161","11.301","0.0018","17.774","0.003","22.517","0.004","90","","90","","90","","4522.9","1.3","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C27 H23 N2 O4.5 -","- C27 H23 N2 O4.5 -","- C216 H184 N16 O36 -","8","1","","Gao, Meng; Yang, Yan; Wu, Yan-Dong; Deng, Cong; Shu, Wen-Ming; Zhang, Dong-Xue; Cao, Li-Ping; She, Neng-Fang; Wu, An-Xin","An efficient synthesis of hydantoins via sustainable integration of coupled domino processes.","Organic letters","2010","12","18","4026","4029","10.1021/ol1015948","","","0.71073","MoKα","","0.1653","0.0659","","","0.1253","0.1499","","","","","","0.947","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503162","20.312","0.0009","9.5308","0.0004","26.2849","0.0012","90","","107.355","0.001","90","","4856.8","0.4","85","2","85","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C124 H106 N8 O9 -","- C124 H106 N8 O9 -","- C248 H212 N16 O18 -","2","1","","Wiedner, Susan D.; Vedejs, Edwin","Aziridinomitosanes via lactam cyclization.","Organic letters","2010","12","18","4030","4033","10.1021/ol101595u","","","0.71073","MoKα","","0.041","0.0368","","","0.0913","0.0943","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503163","12.8063","0.0005","13.3599","0.0005","48.7876","0.0019","90","","90","","90","","8347.1","0.6","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 N2 O7.5 -","- C46 H45 N2 O7.5 -","- C368 H360 N16 O60 -","8","2","","Wiedner, Susan D.; Vedejs, Edwin","Aziridinomitosanes via lactam cyclization.","Organic letters","2010","12","18","4030","4033","10.1021/ol101595u","","","0.71073","MoKα","","0.0667","0.062","","","0.1791","0.1833","","","","","","1.146","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503164","6.897","0.005","11.772","0.008","20.837","0.014","78.683","0.013","88.669","0.013","73.136","0.013","1586.5","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","diazacalix[2]diethyldipyrrolylmethane","","","- C32 H50 N6 O2 -","- C32 H50 N6 O2 -","- C64 H100 N12 O4 -","2","1","","Mani, Ganesan; Guchhait, Tapas; Kumar, Rajnish; Kumar, Shanish","Macrocyclic and acyclic molecules synthesized from dipyrrolylmethanes: receptors for anions.","Organic letters","2010","12","17","3910","3913","10.1021/ol101598e","","","0.71073","MoKα","","0.1402","0.0693","","","0.1396","0.169","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503165","17.106","0.004","16.317","0.004","11.461","0.004","90","","90","","90","","3199","1.6","200","2","200","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C32 H48 N6 O4 S -","- C32 H48 N6 O4 S -","- C128 H192 N24 O16 S4 -","4","0.5","","Mani, Ganesan; Guchhait, Tapas; Kumar, Rajnish; Kumar, Shanish","Macrocyclic and acyclic molecules synthesized from dipyrrolylmethanes: receptors for anions.","Organic letters","2010","12","17","3910","3913","10.1021/ol101598e","","","0.71073","MoKα","","0.1874","0.0724","","","0.1006","0.1287","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503166","19.123","0.004","13.758","0.003","11.749","0.002","90","","106.098","0.005","90","","2969.9","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 N4 O7 S -","- C28 H42 N4 O7 S -","- C112 H168 N16 O28 S4 -","4","1","","Mani, Ganesan; Guchhait, Tapas; Kumar, Rajnish; Kumar, Shanish","Macrocyclic and acyclic molecules synthesized from dipyrrolylmethanes: receptors for anions.","Organic letters","2010","12","17","3910","3913","10.1021/ol101598e","","","0.71073","MoKα","","0.1455","0.0598","","","0.1418","0.1779","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503167","9.1204","0.0004","11.6853","0.0004","14.1079","0.0006","90","","90","","90","","1503.54","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","1","","Zhao, Fu-Wei; Sun, Qian-Yun; Yang, Fu-Mei; Hu, Guang-Wan; Luo, Ji-Feng; Tang, Gui-Hua; Wang, Yue-Hu; Long, Chun-Lin","Palhinine A, a novel alkaloid from Palhinhaea cernua.","Organic letters","2010","12","17","3922","3925","10.1021/ol101602n","","","1.54178","CuKα","","0.0327","0.0318","","","0.0906","0.0918","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503168","9.941","0.003","10.774","0.003","11.867","0.003","77.103","0.003","66.061","0.003","65.409","0.003","1054","0.5","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C48 H48 N4 O8 -","2","1","","McCormack, Michael P.; Shalumova, Tamila; Tanski, Joseph M.; Waters, Stephen P.","Development of a 2-aza-Cope-[3 + 2] dipolar cycloaddition strategy for the synthesis of quaternary proline scaffolds.","Organic letters","2010","12","17","3906","3909","10.1021/ol101606v","","","0.71073","MoKα","","0.0405","0.0343","","","0.0829","0.0869","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503169","8.0436","0.0016","10.604","0.002","11.289","0.002","110.89","0.03","95.92","0.03","99.62","0.03","873","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C46 H38 N2 O4 -","2","1","","Yang, Luo; Lei, Chuan-Hu; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang","Highly efficient and expedient synthesis of 5-hydroxy-1H-pyrrol-2-(5H)-ones from FeCl3-catalyzed tandem intramolecular enaminic addition of tertiary enamides to ketones and 1,3-hydroxy rearrangement.","Organic letters","2010","12","17","3918","3921","10.1021/ol101607z","","","0.71073","MoKα","","0.072","0.056","","","0.1337","0.1451","","","","","","1.359","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503170","8.5467","0.0017","10.49","0.002","21.228","0.004","90","","101.57","0.03","90","","1864.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Yang, Luo; Lei, Chuan-Hu; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang","Highly efficient and expedient synthesis of 5-hydroxy-1H-pyrrol-2-(5H)-ones from FeCl3-catalyzed tandem intramolecular enaminic addition of tertiary enamides to ketones and 1,3-hydroxy rearrangement.","Organic letters","2010","12","17","3918","3921","10.1021/ol101607z","","","0.71073","MoKα","","0.0781","0.0535","","","0.1277","0.1373","","","","","","1.156","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503171","9.276","0.001","22.735","0.003","11.894","0.0015","90","","110.871","0.005","90","","2343.7","0.5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Br N O3 P S -","- C25 H23 Br N O3 P S -","- C100 H92 Br4 N4 O12 P4 S4 -","4","1","","Xie, Peizhong; Huang, You; Chen, Ruyu","Phosphine-catalyzed domino reaction: highly stereoselective synthesis of trans-2,3-dihydrobenzofurans from salicyl N-thiophosphinyl imines and allylic carbonates.","Organic letters","2010","12","17","3768","3771","10.1021/ol101611v","","","0.71075","MoKα","","0.0375","0.0296","","","0.0695","0.0724","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503172","10.26","0.001","8.486","0.001","30.754","0.003","90","","90","","90","","2677.6","0.5","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Br N O3 P S -","- C31 H27 Br N O3 P S -","- C124 H108 Br4 N4 O12 P4 S4 -","4","1","","Xie, Peizhong; Huang, You; Chen, Ruyu","Phosphine-catalyzed domino reaction: highly stereoselective synthesis of trans-2,3-dihydrobenzofurans from salicyl N-thiophosphinyl imines and allylic carbonates.","Organic letters","2010","12","17","3768","3771","10.1021/ol101611v","","","0.71075","MoKα","","0.0637","0.0538","","","0.094","0.101","","","","","","0.842","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503173","8.39","0.004","28.706","0.012","20.46","0.009","90","","93.631","0.006","90","","4918","4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pyridoCF3BF2","trifluoromethylpyridomethene","","- C13 H7 B F5 N3 -","- C13 H7 B F5 N3 -","- C208 H112 B16 F80 N48 -","16","4","","Kubota, Yasuhiro; Tsuzuki, Toshihiro; Funabiki, Kazumasa; Ebihara, Masahiro; Matsui, Masaki","Synthesis and fluorescence properties of a pyridomethene-BF2 complex.","Organic letters","2010","12","18","4010","4013","10.1021/ol101612z","","","0.7107","MoKα","","0.2027","0.099","","","0.1525","0.1805","","","","","","1.195","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503174","6.855","0.002","18.051","0.004","17.675","0.003","90","","100.818","0.01","90","","2148.2","0.9","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pyridomethene BF2 complex","","","- C12 H8 B F2 N3 -","- C12 H8 B F2 N3 -","- C96 H64 B8 F16 N24 -","8","2","","Kubota, Yasuhiro; Tsuzuki, Toshihiro; Funabiki, Kazumasa; Ebihara, Masahiro; Matsui, Masaki","Synthesis and fluorescence properties of a pyridomethene-BF2 complex.","Organic letters","2010","12","18","4010","4013","10.1021/ol101612z","","","0.7107","MoKα","","0.1696","0.1661","","","0.3985","0.4001","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503175","8.07","0.003","10.917","0.005","17.772","0.008","90","","90.891","0.008","90","","1565.5","1.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Octanoyldithieno[3,2-b:2',3'-d]pyrrole","N-Octanoyldithieno[3,2-b:2',3'-d]pyrrole","","- C16 H19 N O S2 -","- C16 H19 N O S2 -","- C64 H76 N4 O4 S8 -","4","1","","Evenson, Sean J.; Rasmussen, Seth C.","N-acyldithieno[3,2-b:2',3'-d]pyrroles: second generation dithieno[3,2-b:2',3'-d]pyrrole building blocks with stabilized energy levels.","Organic letters","2010","12","18","4054","4057","10.1021/ol101647f","","","0.71073","MoKα","","0.0733","0.043","","","0.1134","0.1325","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503176","11.802","0.003","11.154","0.003","10.384","0.003","90","","109.858","0.006","90","","1285.7","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Benzoyldithieno[3,2-b:2',3'-d]pyrrole","N-Benzoyldithieno[3,2-b:2',3'-d]pyrrole","","- C15 H9 N O S2 -","- C15 H9 N O S2 -","- C60 H36 N4 O4 S8 -","4","1","","Evenson, Sean J.; Rasmussen, Seth C.","N-acyldithieno[3,2-b:2',3'-d]pyrroles: second generation dithieno[3,2-b:2',3'-d]pyrrole building blocks with stabilized energy levels.","Organic letters","2010","12","18","4054","4057","10.1021/ol101647f","","","0.71073","MoKα","","0.0588","0.0422","","","0.1151","0.1293","","","","","","0.992","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503177","8.321","0.003","8.994","0.003","9.073","0.003","95.102","0.005","93.093","0.005","92.926","0.005","674.3","0.4","273","2","293","2","","","","","","","","5","P -1","-P 1","2","N-Cyclohexanoyldithieno[3,2-b:2',3'-d]pyrrole","N-Cyclohexanoyldithieno[3,2-b:2',3'-d]pyrrole","","- C15 H15 N O S2 -","- C15 H15 N O S2 -","- C30 H30 N2 O2 S4 -","2","1","","Evenson, Sean J.; Rasmussen, Seth C.","N-acyldithieno[3,2-b:2',3'-d]pyrroles: second generation dithieno[3,2-b:2',3'-d]pyrrole building blocks with stabilized energy levels.","Organic letters","2010","12","18","4054","4057","10.1021/ol101647f","","","0.71073","MoKα","","0.0491","0.0451","","","0.134","0.1392","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503178","18.7232","0.0004","6.9539","0.0002","14.145","0.0004","90","","120.22","0.0013","90","","1591.39","0.08","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H19 Br N2 O -","- C18 H19 Br N2 O -","- C72 H76 Br4 N8 O4 -","4","1","","Holloway, Chloe A.; Muratore, Michael E.; Storer, R. Lan; Dixon, Darren J.","Direct enantioselective Brønsted acid catalyzed N-acyliminium cyclization cascades of tryptamines and ketoacids.","Organic letters","2010","12","21","4720","4723","10.1021/ol101651t","","","0.71073","MoKα","","0.0546","0.0386","","0.0812","0.073","0.0812","","","","","","0.9334","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503179","5.7927","0.0001","12.1783","0.0002","20.5935","0.0005","90","","94.4916","0.0008","90","","1448.31","0.05","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C68 H80 N8 O4 -","4","1","","Holloway, Chloe A.; Muratore, Michael E.; Storer, R. Lan; Dixon, Darren J.","Direct enantioselective Brønsted acid catalyzed N-acyliminium cyclization cascades of tryptamines and ketoacids.","Organic letters","2010","12","21","4720","4723","10.1021/ol101651t","","","0.71073","MoKα","","0.0964","0.0553","","0.1894","0.1287","0.1894","","","","","","0.9899","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503180","9.956","0.006","20.04","0.01","11.392","0.007","90","","109.09","0.02","90","","2148","2","123.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H35 Cl O2 Si -","- C20 H35 Cl O2 Si -","- C80 H140 Cl4 O8 Si4 -","4","1","","Matsuo, Jun-ichi; Kawano, Mizuki; Okuno, Ryosuke; Ishibashi, Hiroyuki","Titanium(IV) chloride-mediated carbon-carbon bond-forming reaction between 3,3-dialkylcyclobutanones and aldehydes.","Organic letters","2010","12","17","3960","3962","10.1021/ol101653b","","","0.7107","MoKα","","","0.0619","","","","0.0753","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503181","11.4665","0.0013","7.9203","0.0009","19.816","0.002","90","","95.306","0.002","90","","1791.9","0.3","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","An, Guanghui; Zhou, Wei; Zhang, Guangqian; Sun, Hao; Han, Jianlin; Pan, Yi","Palladium-catalyzed tandem diperoxidation/C-H activation resulting in diperoxy-oxindole in air.","Organic letters","2010","12","20","4482","4485","10.1021/ol101664y","","","0.71073","MoKα","","0.0843","0.0563","","","0.1074","0.1123","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503182","10.6109","0.0009","11.3274","0.001","22.798","0.002","90","","90","","90","","2740.2","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 N3 O5 S -","- C29 H25 N3 O5 S -","- C116 H100 N12 O20 S4 -","4","1","","Peng, Jing; Huang, Xin; Cui, Hai-Lei; Chen, Ying-Chun","Organocatalytic and electrophilic approach to oxindoles with C3-quaternary stereocenters.","Organic letters","2010","12","19","4260","4263","10.1021/ol101668z","","","0.71073","MoKα","","0.0674","0.0415","","","0.0914","0.1021","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503183","12.4284","0.0017","13.7209","0.0019","13.789","0.002","95.204","0.01","108.784","0.012","101.21","0.011","2153.8","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H34 F6 O2 S2 -","- C53 H34 F6 O2 S2 -","- C106 H68 F12 O4 S4 -","2","1","","Delbaere, Stéphanie; Vermeersch, Gaston; Frigoli, Michel; Mehl, Georg H.","Bridging the visible: the modulation of the absorption by more than 450 nm.","Organic letters","2010","12","18","4090","4093","10.1021/ol101672v","","","0.71073","MoKα","","0.0956","0.0536","","","0.1373","0.1501","","","","","","0.878","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503184","4.5421","0.0009","10.033","0.002","37.818","0.008","90","","90","","90","","1723.4","0.6","155","2","155","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C84 H84 N4 O8 S4 -","4","1","","Sabala, Rocío; Hernández-García, Luis; Ortiz, Aurelio; Romero, Moisés; Olivo, Horacio F.","Diastereoselective conjugate addition of organocuprates to chiral N-enoyl oxazolidinethiones.","Organic letters","2010","12","19","4268","4270","10.1021/ol101687e","","","0.71073","MoKα","","0.1316","0.0568","","","0.0871","0.1083","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503185","5.437","0.002","16.067","0.006","11.335","0.004","90","","96.72","0.03","90","","983.4","0.6","298","1","298","1","101","2","101","2","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N O2 S -","- C22 H25 N O2 S -","- C44 H50 N2 O4 S2 -","2","1","","Sabala, Rocío; Hernández-García, Luis; Ortiz, Aurelio; Romero, Moisés; Olivo, Horacio F.","Diastereoselective conjugate addition of organocuprates to chiral N-enoyl oxazolidinethiones.","Organic letters","2010","12","19","4268","4270","10.1021/ol101687e","","x-ray","0.71073","MoKα","","0.0653","0.0566","","","0.1339","0.1379","","","","","","1.57","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503186","15.361","0.003","14.451","0.004","23.729","0.005","90","","90","","90","","5267","2","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H28 B Cl2 F N2 O -","- C30 H28 B Cl2 F N2 O -","- C240 H224 B8 Cl16 F8 N16 O8 -","8","1","","Shintani, Ryo; Soh, Ying-Teck; Hayashi, Tamio","Rhodium-catalyzed asymmetric arylation of azomethine imines.","Organic letters","2010","12","18","4106","4109","10.1021/ol101700v","","","0.71075","MoKα","","0.1484","0.0991","","","0.2635","0.2982","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503187","9.71","0.003","16.275","0.005","17.801","0.005","90","","92.955","0.01","90","","2809.4","1.5","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H15 Cl N2 O -","- C16 H15 Cl N2 O -","- C128 H120 Cl8 N16 O8 -","8","4","","Shintani, Ryo; Soh, Ying-Teck; Hayashi, Tamio","Rhodium-catalyzed asymmetric arylation of azomethine imines.","Organic letters","2010","12","18","4106","4109","10.1021/ol101700v","","","0.71075","MoKα","","0.0954","0.0693","","","0.1729","0.1897","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503188","10.266","0.003","16.834","0.007","11.491","0.006","90","","114.101","0.015","90","","1812.7","1.3","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","Shintani, Ryo; Soh, Ying-Teck; Hayashi, Tamio","Rhodium-catalyzed asymmetric arylation of azomethine imines.","Organic letters","2010","12","18","4106","4109","10.1021/ol101700v","","","0.71075","MoKα","","0.0708","0.0534","","","0.1412","0.1528","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503189","10.1003","0.0006","17.6993","0.001","10.2661","0.0006","90","","115.709","0.006","90","","1653.58","0.19","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N O -","- C23 H15 N O -","- C92 H60 N4 O4 -","4","1","","Schönhaber, Jan; Frank, Walter; Müller, Thomas J J","Insertion-coupling-cycloisomerization domino synthesis and cation-induced halochromic fluorescence of 2,4-diarylpyrano[2,3-b]indoles.","Organic letters","2010","12","18","4122","4125","10.1021/ol101709p","","","0.71073","MoKα","","0.0409","0.0297","","","0.0653","0.0664","","","","","","1.249","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503190","10.293","0.002","15.245","0.004","21.665","0.005","87.02","0.006","86.029","0.006","79.479","0.006","3331.7","1.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H63 Cl9 O2 -","- C75 H63 Cl9 O2 -","- C150 H126 Cl18 O4 -","2","1","","Zhang, Xiaojie; Li, Jinling; Qu, Hemi; Chi, Chunyan; Wu, Jishan","Fused bispentacenequinone and its unexpected Michael addition.","Organic letters","2010","12","17","3946","3949","10.1021/ol101720e","","","0.71073","MoKα","","0.1679","0.0985","","","0.2767","0.3352","","","","","","1.016","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503191","7.112","0.0009","15.443","0.002","8.5355","0.0011","90","","102.864","0.002","90","","913.9","0.2","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 O4 -","- C11 H8 O4 -","- C44 H32 O16 -","4","1","","Sakamoto, Masami; Yagishita, Fumitoshi; Kanehiro, Masayuki; Kasashima, Yoshio; Mino, Takashi; Fujita, Tsutomu","Exclusive photodimerization reactions of chromone-2-carboxylic esters depending on reaction media.","Organic letters","2010","12","20","4435","4437","10.1021/ol101734k","","","0.71073","MoKα","","0.0504","0.0383","","","0.1018","0.1106","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503192","4.6951","0.0008","9.7328","0.0016","22.307","0.004","90","","94.848","0.002","90","","1015.7","0.3","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Sakamoto, Masami; Yagishita, Fumitoshi; Kanehiro, Masayuki; Kasashima, Yoshio; Mino, Takashi; Fujita, Tsutomu","Exclusive photodimerization reactions of chromone-2-carboxylic esters depending on reaction media.","Organic letters","2010","12","20","4435","4437","10.1021/ol101734k","","","0.71073","MoKα","","0.0579","0.0411","","","0.111","0.1215","","","","","","0.999","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503193","8.0748","0.0007","9.2016","0.0008","15.5271","0.0013","90","","100.084","0.001","90","","1135.86","0.17","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","","Sakamoto, Masami; Yagishita, Fumitoshi; Kanehiro, Masayuki; Kasashima, Yoshio; Mino, Takashi; Fujita, Tsutomu","Exclusive photodimerization reactions of chromone-2-carboxylic esters depending on reaction media.","Organic letters","2010","12","20","4435","4437","10.1021/ol101734k","","","0.71073","MoKα","","0.0423","0.0353","","","0.093","0.0972","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503194","9.128","0.0011","10.3355","0.0012","10.6415","0.0013","76.61","0.001","68.814","0.001","82.929","0.001","909.78","0.19","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 O8 -","- C22 H16 O8 -","- C44 H32 O16 -","2","1","","Sakamoto, Masami; Yagishita, Fumitoshi; Kanehiro, Masayuki; Kasashima, Yoshio; Mino, Takashi; Fujita, Tsutomu","Exclusive photodimerization reactions of chromone-2-carboxylic esters depending on reaction media.","Organic letters","2010","12","20","4435","4437","10.1021/ol101734k","","","0.71073","MoKα","","0.0419","0.037","","","0.0948","0.0987","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503195","11.4827","0.0009","11.0568","0.0009","16.4519","0.0013","90","","106.924","0.001","90","","1998.3","0.3","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 O8 -","- C24 H20 O8 -","- C96 H80 O32 -","4","0.5","","Sakamoto, Masami; Yagishita, Fumitoshi; Kanehiro, Masayuki; Kasashima, Yoshio; Mino, Takashi; Fujita, Tsutomu","Exclusive photodimerization reactions of chromone-2-carboxylic esters depending on reaction media.","Organic letters","2010","12","20","4435","4437","10.1021/ol101734k","","","0.71073","MoKα","","0.0513","0.0405","","","0.107","0.1136","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503196","6.5748","0.0007","8.8652","0.001","10.7627","0.0012","69.163","0.001","82.406","0.001","82.35","0.001","578.64","0.11","173","","173","","","","","","","","","3","P 1","P 1","1","","","","- C26 H24 O8 -","- C26 H24 O8 -","- C26 H24 O8 -","1","1","","Sakamoto, Masami; Yagishita, Fumitoshi; Kanehiro, Masayuki; Kasashima, Yoshio; Mino, Takashi; Fujita, Tsutomu","Exclusive photodimerization reactions of chromone-2-carboxylic esters depending on reaction media.","Organic letters","2010","12","20","4435","4437","10.1021/ol101734k","","","0.71073","MoKα","","0.0422","0.0355","","","0.0949","0.1","","","","","","1.078","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503197","8.2353","0.0005","13.2297","0.0016","28.508","0.003","90","","90","","90","","3106","0.5","200","2","200","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C136 H152 N8 O40 -","8","1","","Miege, Frédéric; Meyer, Christophe; Cossy, Janine","Synthesis of 3-oxa- and 3-azabicyclo[4.1.0]heptanes by gold-catalyzed cycloisomerization of cyclopropenes.","Organic letters","2010","12","18","4144","4147","10.1021/ol101741f","","","0.71073","MoKα","","0.1494","0.0731","","","0.1882","0.2253","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503198","15.196","0.003","11.833","0.003","16.715","0.004","90","","107.475","0.004","90","","2866.9","1.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","compound 7a","4,16-dimethoxy-10,12,22,24-tetranitro-2,8,14,20-tetraazacalix[4]arene","","- C29 H26 N8 O11 -","- C29 H26 N8 O11 -","- C116 H104 N32 O44 -","4","1","","Katz, Jeffrey L.; Tschaen, Brittany A.","Synthesis of inherently chiral azacalix[4]arenes and diazadioxacalix[4]arenes.","Organic letters","2010","12","19","4300","4303","10.1021/ol1017454","","","0.71073","MoKα","","0.0668","0.0532","","","0.1491","0.1603","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503199","7.504","0.004","13.407","0.009","13.408","0.008","110.09","0.02","104","0.02","104.77","0.02","1141.5","1.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 B N3 O S3 -","- C28 H18 B N3 O S3 -","- C56 H36 B2 N6 O2 S6 -","2","1","","Hayashi, Shin-ya; Inokuma, Yasuhide; Osuka, Atsuhiro","meso-Tris(oligo-2,5-thienylene)-substituted subporphyrins.","Organic letters","2010","12","18","4148","4151","10.1021/ol101746d","","","0.71075","MoKα","","0.0548","0.0424","","","0.12","0.1296","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503200","28.04","0.04","7.483","0.012","26.42","0.05","90","","101.36","0.07","90","","5435","16","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H15 B Br3 N3 O S3 -","- C28 H15 B Br3 N3 O S3 -","- C224 H120 B8 Br24 N24 O8 S24 -","8","1","","Hayashi, Shin-ya; Inokuma, Yasuhide; Osuka, Atsuhiro","meso-Tris(oligo-2,5-thienylene)-substituted subporphyrins.","Organic letters","2010","12","18","4148","4151","10.1021/ol101746d","","","0.71075","MoKα","","0.0671","0.0423","","","0.09","0.0998","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503201","14.9","0.004","18.725","0.006","19.242","0.006","113.171","0.009","111.245","0.009","95.232","0.01","4426","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H30 B N3 O S9 -","- C52 H30 B N3 O S9 -","- C208 H120 B4 N12 O4 S36 -","4","2","","Hayashi, Shin-ya; Inokuma, Yasuhide; Osuka, Atsuhiro","meso-Tris(oligo-2,5-thienylene)-substituted subporphyrins.","Organic letters","2010","12","18","4148","4151","10.1021/ol101746d","","","0.71075","MoKα","","0.1722","0.0941","","","0.2219","0.2731","","","","","","1.013","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503202","9.156","0.002","10.791","0.003","20.165","0.006","86.746","0.01","84.069","0.009","79.233","0.01","1945.4","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Br F3 O3 -","- C21 H18 Br F3 O3 -","- C84 H72 Br4 F12 O12 -","4","2","","Wang, Tong; Ye, Song","Diastereoselective synthesis of 6-trifluoromethyl-5,6-dihydropyrans via phosphine-catalyzed [4 + 2] annulation of α-benzylallenoates with ketones.","Organic letters","2010","12","18","4168","4171","10.1021/ol101762z","","","0.71073","MoKα","","0.0751","0.0627","","","0.1077","0.1138","","","","","","1.17","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503203","15.103","0.003","6.0078","0.0012","21.747","0.004","90","","90","","90","","1973.2","0.7","571","2","571","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Cl O2 -","- C12 H9 Cl O2 -","- C96 H72 Cl8 O16 -","8","1","","Huo, Fang-Jun; Sun, Yuan-Qiang; Su, Jing; Yang, Yu-Tao; Yin, Cai-Xia; Chao, Jian-Bin","Chromene ""lock"", thiol ""key"", and mercury(II) ion ""hand"": a single molecular machine recognition system.","Organic letters","2010","12","21","4756","4759","10.1021/ol101771j","","","0.71073","MoKα","","0.0494","0.0442","","","0.1012","0.1037","","","","","","1.086","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503204","10.676","0.0018","18.951","0.003","19.394","0.003","85.406","0.002","74.527","0.002","74.304","0.002","3640.5","1","97","2","97","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H74.44 Cl2 N8 O0.22 -","- C94.9304 H74 Cl1.8608 N8 O0.221 -","- C189.861 H148 Cl3.7216 N16 O0.442 -","2","1","","Hatano, Sayaka; Sakai, Ken; Abe, Jiro","Unprecedented radical-radical reaction of a [2.2]paracyclophane derivative containing an imidazolyl radical moiety.","Organic letters","2010","12","18","4152","4155","10.1021/ol1017933","","","0.71073","MoKα","","0.0771","0.056","","","0.1314","0.145","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503205","6.6549","0.0005","13.8696","0.0011","21.4953","0.0018","90","","90","","90","","1984","0.3","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Br2 N O4 -","- C20 H25 Br2 N O4 -","- C80 H100 Br8 N4 O16 -","4","1","","Chen, Peiling; Carroll, Patrick J.; Sieburth, Scott McN","Tetraquinanes via [4 + 4] photocycloaddition/transannular ring closure.","Organic letters","2010","12","20","4510","4512","10.1021/ol101802s","","","0.71069","MoKα","","0.0462","0.0392","","","0.0843","0.0907","","","","","","1.107","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503206","7.4039","0.0005","13.4534","0.001","17.6386","0.0013","90","","90","","90","","1756.9","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C80 H108 N4 O20 -","4","1","","Chen, Peiling; Carroll, Patrick J.; Sieburth, Scott McN","Tetraquinanes via [4 + 4] photocycloaddition/transannular ring closure.","Organic letters","2010","12","20","4510","4512","10.1021/ol101802s","","","0.71069","MoKα","","0.0401","0.037","","","0.085","0.0886","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503207","8.573","0.0004","9.9838","0.0004","16.5361","0.0007","90","","90","","90","","1415.34","0.11","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Br2 Cl3 N O2 -","- C10 H10 Br2 Cl3 N O2 -","- C40 H40 Br8 Cl12 N4 O8 -","4","1","","Bae, Ju-Yeon; Lee, Hyo-Jun; Youn, Seok-Ho; Kwon, Su-Hyun; Cho, Chang-Woo","Organocatalytic asymmetric synthesis of chiral pyrrolizines by cascade conjugate addition-aldol reactions.","Organic letters","2010","12","19","4352","4355","10.1021/ol101811c","","","0.71073","MoKα","","0.0716","0.0384","","","0.0586","0.0857","","","","","","1.1","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503208","9.9559","0.0003","13.4641","0.0003","21.4149","0.0006","90","","90","","90","","2870.61","0.13","150","1","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C144 H160 O16 -","8","1","","Ramadhar, Timothy R.; Kawakami, Jun-ichi; Lough, Alan J.; Batey, Robert A.","Stereocontrolled synthesis of contiguous C(sp3)-C(aryl) bonds by lanthanide(III)-catalyzed domino aryl-Claisen [3,3]-sigmatropic rearrangements.","Organic letters","2010","12","20","4446","4449","10.1021/ol1018147","","","0.71073","MoKα","","0.1078","0.056","","","0.1325","0.1615","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503209","16.3276","0.0009","9.2926","0.0006","11.4092","0.0006","90","","108.846","0.004","90","","1638.27","0.17","150","1","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O6 -","- C18 H16 N2 O6 -","- C72 H64 N8 O24 -","4","0.5","","Ramadhar, Timothy R.; Kawakami, Jun-ichi; Lough, Alan J.; Batey, Robert A.","Stereocontrolled synthesis of contiguous C(sp3)-C(aryl) bonds by lanthanide(III)-catalyzed domino aryl-Claisen [3,3]-sigmatropic rearrangements.","Organic letters","2010","12","20","4446","4449","10.1021/ol1018147","","","0.71073","MoKα","","0.091","0.0547","","","0.1347","0.1595","","","","","","1.059","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503210","9.745","0.003","10.404","0.003","11.659","0.004","69.894","0.005","67.4","0.006","87.178","0.005","1020.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 Br O5 -","- C22 H27 Br O5 -","- C44 H54 Br2 O10 -","2","1","","Jones, Brian D.; La Clair, James J.; Moore, Curtis E.; Rheingold, Arnold L.; Burkart, Michael D.","Convergent route to the spirohexenolide macrocycle.","Organic letters","2010","12","20","4516","4519","10.1021/ol1018163","","","0.71073","MoKα","","0.0717","0.0594","","","0.1469","0.1568","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503211","20.834","0.005","12.224","0.003","8.784","0.002","90","","93.811","0.004","90","","2232.1","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 O5 -","- C26 H32 O5 -","- C104 H128 O20 -","4","1","","Jones, Brian D.; La Clair, James J.; Moore, Curtis E.; Rheingold, Arnold L.; Burkart, Michael D.","Convergent route to the spirohexenolide macrocycle.","Organic letters","2010","12","20","4516","4519","10.1021/ol1018163","","","0.71073","MoKα","","0.1306","0.058","","","0.1119","0.1378","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503212","3.8045","0.0001","14.624","0.0004","18.5827","0.0005","90","","92.86","0.02","90","","1032.6","0.05","153","2","153","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 N2 S -","- C14 H8 N2 S -","- C56 H32 N8 S4 -","4","1","","Linder, Thomas; Badiola, Eider; Baumgartner, Thomas; Sutherland, Todd C.","Synthesis of π-extended thiadiazole (oxides) and their electronic properties.","Organic letters","2010","12","20","4520","4523","10.1021/ol1018213","","x-ray","1.54178","CuKα","","0.1525","0.0672","","","0.1888","0.2657","","","","","","1.105","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503213","6.9578","0.0004","17.055","0.0008","10.133","0.0008","90","","112.64","0.05","90","","1109.8","0.4","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","phenSO2","","","- C14 H8 N2 O2 S -","- C14 H8 N2 O2 S -","- C56 H32 N8 O8 S4 -","4","1","","Linder, Thomas; Badiola, Eider; Baumgartner, Thomas; Sutherland, Todd C.","Synthesis of π-extended thiadiazole (oxides) and their electronic properties.","Organic letters","2010","12","20","4520","4523","10.1021/ol1018213","","","0.7107","MoKα","","0.0547","0.0478","","","0.1449","0.1596","","","","","","1.166","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503214","17.1841","0.0009","3.8524","0.0002","34.3919","0.0017","90","","95.801","0.0015","90","","2265.1","0.2","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","pyrS","","","- C16 H8 N2 S -","- C16 H8 N2 S -","- C128 H64 N16 S8 -","8","2","","Linder, Thomas; Badiola, Eider; Baumgartner, Thomas; Sutherland, Todd C.","Synthesis of π-extended thiadiazole (oxides) and their electronic properties.","Organic letters","2010","12","20","4520","4523","10.1021/ol1018213","","","0.7107","MoKα","","0.1201","0.0986","","","0.2663","0.2817","","","","","","1.224","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503215","14.6637","0.0004","11.904","0.0003","7.2169","0.0002","90","","115.913","0.001","90","","1133.1","0.05","123","2","123","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","EB038","","","- C16 H8 N2 O S -","- C16 H8 N2 O S -","- C64 H32 N8 O4 S4 -","4","0.5","","Linder, Thomas; Badiola, Eider; Baumgartner, Thomas; Sutherland, Todd C.","Synthesis of π-extended thiadiazole (oxides) and their electronic properties.","Organic letters","2010","12","20","4520","4523","10.1021/ol1018213","","","1.54178","CuKα","","0.0357","0.0334","","","0.0984","0.1004","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503216","11.4588","0.0006","15.8146","0.0006","6.8807","0.0003","90","","102.5","0.003","90","","1217.34","0.1","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","pyrSO2","","","- C16 H8 N2 O2 S -","- C16 H8 N2 O2 S -","- C64 H32 N8 O8 S4 -","4","1","","Linder, Thomas; Badiola, Eider; Baumgartner, Thomas; Sutherland, Todd C.","Synthesis of π-extended thiadiazole (oxides) and their electronic properties.","Organic letters","2010","12","20","4520","4523","10.1021/ol1018213","","","0.7107","MoKα","","0.1479","0.1121","","","0.3073","0.3323","","","","","","1.23","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503217","7.63","0.002","11.254","0.003","12.992","0.004","104.415","0.005","104.272","0.005","99.48","0.005","1016.3","0.5","108","2","108","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Br2 N4 O S -","- C21 H18 Br2 N4 O S -","- C42 H36 Br4 N8 O2 S2 -","2","1","","Feldman, Ken S.; Nuriye, Ahmed Yimam","Extending Pummerer reaction chemistry: application to the assembly of the pentacyclic core of dibromopalau'amine.","Organic letters","2010","12","20","4532","4535","10.1021/ol1018322","","","0.71073","MoKα","","0.0911","0.0707","","","0.1605","0.172","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503218","55.9475","0.0011","44.3294","0.0018","12.4822","0.0002","90","","90","","90","","30957.3","1.5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C78 H110 Cl2 N O10 -","- C78 H110 Cl2 N O10 -","- C1248 H1760 Cl32 N16 O160 -","16","1","","Han, Chengyou; Ma, Fengying; Zhang, Zibin; Xia, Binyuan; Yu, Yihua; Huang, Feihe","DIBPillar[n]arenes (n = 5, 6): syntheses, X-ray crystal structures, and complexation with n-octyltriethyl ammonium hexafluorophosphate.","Organic letters","2010","12","19","4360","4363","10.1021/ol1018344","","","1.54184","CuKα","","0.0977","0.0863","","","0.2438","0.2582","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503219","13.7506","0.0003","18.3037","0.0004","19.5207","0.0004","78.89","0.002","78.46","0.002","78.098","0.002","4651.17","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C189 H264 N4 O24 -","- C188.98 H264 N4 O24 -","- C188.98 H264 N4 O24 -","1","0.5","","Han, Chengyou; Ma, Fengying; Zhang, Zibin; Xia, Binyuan; Yu, Yihua; Huang, Feihe","DIBPillar[n]arenes (n = 5, 6): syntheses, X-ray crystal structures, and complexation with n-octyltriethyl ammonium hexafluorophosphate.","Organic letters","2010","12","19","4360","4363","10.1021/ol1018344","","","0.71073","MoKα","","0.111","0.0999","","","0.288","0.3003","","","","","","1.143","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503220","9.174","0.004","17.881","0.008","10.373","0.004","90","","97.844","0.008","90","","1685.7","1.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Fujiwara, Kyohei; Kurahashi, Takuya; Matsubara, Seijiro","Decarbonylative cycloaddition of phthalimides with 1,3-dienes.","Organic letters","2010","12","20","4548","4551","10.1021/ol101842y","","","0.71073","MoKα","","0.1267","0.0574","","","0.133","0.1659","","","","","","0.913","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503221","9.6129","0.001","15.9","0.0016","12.4424","0.0013","90","","109.191","0.002","90","","1796.1","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N3 O -","- C21 H25 N3 O -","- C84 H100 N12 O4 -","4","1","","Fujiwara, Kyohei; Kurahashi, Takuya; Matsubara, Seijiro","Decarbonylative cycloaddition of phthalimides with 1,3-dienes.","Organic letters","2010","12","20","4548","4551","10.1021/ol101842y","","","0.71073","MoKα","","0.0611","0.0479","","","0.1304","0.1411","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503222","10.6196","0.0011","11.847","0.0012","13.843","0.0015","91.696","0.002","104.085","0.002","97.966","0.002","1669.3","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C76 H84 N12 O4 -","4","2","","Fujiwara, Kyohei; Kurahashi, Takuya; Matsubara, Seijiro","Decarbonylative cycloaddition of phthalimides with 1,3-dienes.","Organic letters","2010","12","20","4548","4551","10.1021/ol101842y","","","0.71073","MoKα","","0.0743","0.052","","","0.1354","0.1502","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503223","7.272","0.003","12.692","0.005","17.264","0.007","97.762","0.011","100.795","0.009","101.825","0.009","1506.9","1.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H34 O4 -","- C38 H34 O4 -","- C76 H68 O8 -","2","1","","An, Peng; Shi, Zi-Fa; Dou, Wei; Cao, Xiao-Ping; Zhang, Hao-Li","Synthesis of 1,4-bis[2,2-bis(4-alkoxyphenyl)vinyl]benzenes and side chain modulation of their solid-state emission.","Organic letters","2010","12","19","4364","4367","10.1021/ol101847w","","","0.71073","MoKα","","0.2725","0.0765","","","0.1652","0.2645","","","","","","0.849","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503224","22.952","0.003","7.0269","0.0009","23.009","0.003","90","","112.606","0.007","90","","3425.8","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 O4 -","- C42 H42 O4 -","- C168 H168 O16 -","4","1","","An, Peng; Shi, Zi-Fa; Dou, Wei; Cao, Xiao-Ping; Zhang, Hao-Li","Synthesis of 1,4-bis[2,2-bis(4-alkoxyphenyl)vinyl]benzenes and side chain modulation of their solid-state emission.","Organic letters","2010","12","19","4364","4367","10.1021/ol101847w","","","0.71073","MoKα","","0.1169","0.0523","","","0.1116","0.1366","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503225","15.644","0.005","29.507","0.01","9.359","0.003","90","","92.468","0.007","90","","4316","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 O4 -","- C50 H58 O4 -","- C200 H232 O16 -","4","1","","An, Peng; Shi, Zi-Fa; Dou, Wei; Cao, Xiao-Ping; Zhang, Hao-Li","Synthesis of 1,4-bis[2,2-bis(4-alkoxyphenyl)vinyl]benzenes and side chain modulation of their solid-state emission.","Organic letters","2010","12","19","4364","4367","10.1021/ol101847w","","","0.71073","MoKα","","0.1797","0.0662","","","0.1414","0.1894","","","","","","0.941","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503226","9.1618","0.0017","15.607","0.003","17.154","0.004","101.382","0.01","91.325","0.011","92.182","0.01","2401.7","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H66 O4 -","- C54 H66 O4 -","- C108 H132 O8 -","2","1","","An, Peng; Shi, Zi-Fa; Dou, Wei; Cao, Xiao-Ping; Zhang, Hao-Li","Synthesis of 1,4-bis[2,2-bis(4-alkoxyphenyl)vinyl]benzenes and side chain modulation of their solid-state emission.","Organic letters","2010","12","19","4364","4367","10.1021/ol101847w","","","0.71073","MoKα","","0.2117","0.0804","","","0.2001","0.2615","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503227","5.8496","0.0003","14.2422","0.0007","15.3416","0.0008","92.896","0.003","98.283","0.003","98.842","0.003","1246.31","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H37 O2 -","- C29 H37 O2 -","- C58 H74 O4 -","2","1","","An, Peng; Shi, Zi-Fa; Dou, Wei; Cao, Xiao-Ping; Zhang, Hao-Li","Synthesis of 1,4-bis[2,2-bis(4-alkoxyphenyl)vinyl]benzenes and side chain modulation of their solid-state emission.","Organic letters","2010","12","19","4364","4367","10.1021/ol101847w","","","0.71073","MoKα","","0.1543","0.0628","","","0.1274","0.1644","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503228","9.247","0.008","15.35","0.013","19.998","0.018","78.927","0.011","87.884","0.011","86.674","0.011","2780","4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C62 H77 O4 -","- C62 H77 O4 -","- C124 H154 O8 -","2","1","","An, Peng; Shi, Zi-Fa; Dou, Wei; Cao, Xiao-Ping; Zhang, Hao-Li","Synthesis of 1,4-bis[2,2-bis(4-alkoxyphenyl)vinyl]benzenes and side chain modulation of their solid-state emission.","Organic letters","2010","12","19","4364","4367","10.1021/ol101847w","","","0.71073","MoKα","","0.201","0.0878","","","0.2306","0.2956","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503229","12.763","0.005","13.447","0.005","14.34","0.005","65.731","0.007","66.619","0.007","62.46","0.006","1923.2","1.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H50 O4 -","- C46 H50 O4 -","- C92 H100 O8 -","2","1","","An, Peng; Shi, Zi-Fa; Dou, Wei; Cao, Xiao-Ping; Zhang, Hao-Li","Synthesis of 1,4-bis[2,2-bis(4-alkoxyphenyl)vinyl]benzenes and side chain modulation of their solid-state emission.","Organic letters","2010","12","19","4364","4367","10.1021/ol101847w","","","0.71073","MoKα","","0.2525","0.0746","","","0.1133","0.1579","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503230","6.999","0.009","12.277","0.015","17.34","0.02","93.43","0.02","91.45","0.02","106.06","0.02","1428","3","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3,4-dimethyl-1-(4-nitrophenyl)penta-1,3-dien-2-yl acetate","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","2","","Seraya, Elaine; Slack, Eric; Ariafard, Alireza; Yates, Brian F.; Hyland, Christopher J. T.","Experimental and theoretical investigation into the gold-catalyzed reactivity of cyclopropenylmethyl acetates.","Organic letters","2010","12","21","4768","4771","10.1021/ol101862u","","","0.71073","MoKα","","0.0844","0.0748","","","0.1997","0.2097","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503231","16.092","","13.971","","12.527","","90","","90","","90","","2816.34","","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H46 N4 O3 -","- C29 H46 N4 O3 -","- C116 H184 N16 O12 -","4","1","","Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Benet-Buchholz, Jordi; Kleij, Arjan W.","Practical approach to structurally diverse monoimine salts and nonsymmetrical metallosalphen complexes.","Organic letters","2010","12","20","4592","4595","10.1021/ol101898y","","","0.71073","MoKα","","0.0542","0.0458","","","0.1132","0.1197","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503232","16.1444","0.0012","14.8471","0.001","12.468","0.0007","90","","90","","90","","2988.5","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H44 Cl2 N4 O3 -","- C29 H44 Cl2 N4 O3 -","- C116 H176 Cl8 N16 O12 -","4","1","","Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Benet-Buchholz, Jordi; Kleij, Arjan W.","Practical approach to structurally diverse monoimine salts and nonsymmetrical metallosalphen complexes.","Organic letters","2010","12","20","4592","4595","10.1021/ol101898y","","","0.71073","MoKα","","0.0705","0.0504","","","0.1101","0.1198","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503233","15.8418","0.001","14.3022","0.0007","13.0883","0.0006","90","","90","","90","","2965.5","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H45 Br2 N3 O -","- C29 H45 Br2 N3 O -","- C116 H180 Br8 N12 O4 -","4","1","","Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Benet-Buchholz, Jordi; Kleij, Arjan W.","Practical approach to structurally diverse monoimine salts and nonsymmetrical metallosalphen complexes.","Organic letters","2010","12","20","4592","4595","10.1021/ol101898y","","","0.71073","MoKα","","0.1044","0.0604","","","0.1428","0.1621","","","","","","0.994","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503234","9.59","0.0019","16.381","0.003","32.198","0.006","90","","96.45","0.03","90","","5026.1","1.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C232 H264 N4 O27 P4 -","- C232 H264 N4 O27 P4 -","- C232 H264 N4 O27 P4 -","1","0.5","","Herbert, Simon A.; Arnott, Gareth E.","Synthesis of inherently chiral calix[4]arenes: stereocontrol through ligand choice.","Organic letters","2010","12","20","4600","4603","10.1021/ol101909f","","","0.71073","MoKα","","0.0836","0.0565","","","0.1167","0.1339","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503235","5.616","0.005","11.22","0.003","27.785","0.009","90","","90","","90","","1750.8","1.7","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cl N O3 -","- C18 H26 Cl N O3 -","- C72 H104 Cl4 N4 O12 -","4","1","","Thamapipol, Sirinporn; Bernardinelli, Gérald; Besnard, Céline; Kündig, E Peter","Chiral ruthenium Lewis acid catalyzed intramolecular Diels-Alder reactions.","Organic letters","2010","12","24","5604","5607","10.1021/ol1019103","","","0.71073","MoKα","","0.0351","0.0302","","0.0789","0.0768","0.0789","","","","","","0.9952","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503236","8.2656","0.0011","8.4095","0.0011","32.003","0.004","90","","90","","90","","2224.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Br N2 O3 -","- C25 H23 Br N2 O3 -","- C100 H92 Br4 N8 O12 -","4","1","","Fang, Huihui; Wu, Xiaoyu; Nie, Linlin; Dai, Xiaoyang; Chen, Jie; Cao, Weiguo; Zhao, Gang","Diastereoselective syntheses of indoloquinolizidines by a Pictet-Spengler/lactamization cascade.","Organic letters","2010","12","23","5366","5369","10.1021/ol101922h","","","0.71073","MoKα","","0.0721","0.0457","","","0.0954","0.1013","","","","","","0.87","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503237","15.456","0.004","6.4033","0.0015","16.86","0.004","90","","105.23","0.006","90","","1610","0.7","233","2","233","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 N4 -","- C44 H42 N4 -","- C88 H84 N8 -","2","0.5","","Roznyatovskiy, Vladimir; Lynch, Vincent; Sessler, Jonathan L.","Dinaphthoporphycenes.","Organic letters","2010","12","19","4424","4427","10.1021/ol101931y","","","0.71069","MoKα","","0.0902","0.0552","","","0.1219","0.1396","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503238","7.881","0.007","9.856","0.009","12.446","0.011","101.219","0.015","90.086","0.014","104.921","0.015","914.9","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C46 H38 N2 O4 -","2","1","","Hong, Deng; Chen, Zhengbo; Lin, Xufeng; Wang, Yanguang","Synthesis of substituted indoles from 2-azidoacrylates and ortho-silyl aryltriflates.","Organic letters","2010","12","20","4608","4611","10.1021/ol101934v","","","0.71073","MoKα","","0.067","0.0542","","","0.1497","0.1583","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503239","15.8403","0.0012","9.3434","0.0007","22.2175","0.0016","90","","99.239","0.002","90","","3245.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C168 H136 N8 O16 -","8","2","","Hong, Deng; Chen, Zhengbo; Lin, Xufeng; Wang, Yanguang","Synthesis of substituted indoles from 2-azidoacrylates and ortho-silyl aryltriflates.","Organic letters","2010","12","20","4608","4611","10.1021/ol101934v","","","0.71073","MoKα","","0.1044","0.0599","","","0.1386","0.1529","","","","","","0.856","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503240","6.7647","0.0003","17.5609","0.0008","13.1322","0.0006","90","","90.811","0.004","90","","1559.87","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Hong, Deng; Chen, Zhengbo; Lin, Xufeng; Wang, Yanguang","Synthesis of substituted indoles from 2-azidoacrylates and ortho-silyl aryltriflates.","Organic letters","2010","12","20","4608","4611","10.1021/ol101934v","","","0.71073","MoKα","","0.0616","0.0354","","","0.0858","0.0913","","","","","","0.903","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503241","9.3013","0.0008","17.9217","0.0015","18.9114","0.0016","90","","101.888","0.001","90","","3084.8","0.5","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","(R,R)-1,2-Bis(tert-butylmethylphosphino)benzene(1,5-cyclooctadiene)rhodium(I) hexafluoroantiomonate","","","- C52 H88 F12 O2 P4 Rh2 Sb2 -","- C52 H88 F12 O2 P4 Rh2 Sb2 -","- C104 H176 F24 O4 P8 Rh4 Sb4 -","2","1","","Tamura, Ken; Sugiya, Masashi; Yoshida, Kazuhiro; Yanagisawa, Akira; Imamoto, Tsuneo","Enantiopure 1,2-bis(tert-butylmethylphosphino)benzene as a highly efficient ligand in rhodium-catalyzed asymmetric hydrogenation.","Organic letters","2010","12","19","4400","4403","10.1021/ol101936w","","","0.71073","MoKα","","0.0585","0.0409","","","0.1067","0.126","","","","","","0.792","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503242","10.2408","0.0002","19.6871","0.0004","19.3546","0.0003","90","","91.221","0.002","90","","3901.23","0.13","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C184 H176 N16 O32 -","8","2","","Presset, Marc; Coquerel, Yoann; Rodriguez, Jean","Periselectivity switch of acylketenes in cycloadditions with 1-azadienes: microwave-assisted diastereoselective domino three-component synthesis of α-spiro-δ-lactams.","Organic letters","2010","12","18","4212","4215","10.1021/ol101938r","","x-ray","0.71073","MoKα","","0.1289","0.0718","","","0.1942","0.2491","","","","","","1.099","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503243","14.506","0.0014","12.0613","0.0012","25.6865","0.0018","90","","113.7","0.004","90","","4115.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br N O4 -","- C22 H22 Br N O4 -","- C176 H176 Br8 N8 O32 -","8","2","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou","Sequential organocatalytic Stetter and Michael-Aldol condensation reaction: asymmetric synthesis of fully substituted cyclopentenes via a [1 + 2 + 2] annulation strategy.","Organic letters","2010","12","21","4812","4815","10.1021/ol101969t","","","0.71073","MoKα","","0.0885","0.0515","","","0.1137","0.1315","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503244","13.1062","0.0013","13.1062","0.0013","23.513","0.005","90","","90","","120","","3497.8","0.9","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C48 H52 Br2 N2 O12 -","- C48 H52 Br2 N2 O12 -","- C144 H156 Br6 N6 O36 -","3","1","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou","Sequential organocatalytic Stetter and Michael-Aldol condensation reaction: asymmetric synthesis of fully substituted cyclopentenes via a [1 + 2 + 2] annulation strategy.","Organic letters","2010","12","21","4812","4815","10.1021/ol101969t","","","0.71073","MoKα","","0.0266","0.0258","","","0.0614","0.0618","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503245","21.376","0.005","9.2038","0.0018","17.855","0.004","90","","100.141","0.004","90","","3457.9","1.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C176 H160 N16 O8 -","8","1","","Chen, Zhiyuan; Wu, Jie","Efficient generation of biologically active H-pyrazolo[5,1-a]isoquinolines via multicomponent reaction.","Organic letters","2010","12","21","4856","4859","10.1021/ol101988q","","","0.71073","MoKα","","0.1062","0.057","","","0.1374","0.1596","","","","","","0.921","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503246","25.683","0.003","12.1372","0.0013","11.0178","0.0012","90","","90","","90","","3434.5","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C152 H152 Br8 O16 -","8","1","","Tang, Xiang-Ying; Wei, Yin; Shi, Min","Thermally induced electrocyclic reaction of methylenecyclopropane methylene diketone derivatives: a facile method for the synthesis of spiro[2.5]octa-3,5-dienes.","Organic letters","2010","12","22","5120","5123","10.1021/ol102002f","","","0.71073","MoKα","","0.122","0.0488","","","0.1294","0.1556","","","","","","0.941","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503247","12.076","0.0008","15.9699","0.001","28.376","0.0015","90","","90","","90","","5472.4","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H71 Co N7 O14 -","- C54 H69 Co N7 O14 -","- C216 H276 Co4 N28 O56 -","4","1","","ó Proinsias, Keith; Sessler, Jonathan L.; Kurcoń, Sylwester; Gryko, Dorota","New hydrophobic vitamin B12 derivatives via ring-opening reactions of c-lactone.","Organic letters","2010","12","20","4674","4677","10.1021/ol102008n","","","1.54178","CuKα","","0.1054","0.06","","","0.1351","0.1613","","","","","","0.978","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503248","12.966","0.005","8.566","0.003","14.31","0.005","90","","90.27","0.006","90","","1589.3","1","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H8 F16 -","- C48 H8 F16 -","- C96 H16 F32 -","2","0.5","","Loo, Yueh-Lin; Hiszpanski, Anna M.; Kim, Bumjung; Wei, Sujun; Chiu, Chien-Yang; Steigerwald, Michael L.; Nuckolls, Colin","Unusual molecular conformations in fluorinated, contorted hexabenzocoronenes.","Organic letters","2010","12","21","4840","4843","10.1021/ol102016m","","","0.71073","MoKα","","0.1581","0.0584","","","0.1247","0.1674","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503249","14.74","0.002","13.624","0.002","16.06","0.003","90","","99.116","0.003","90","","3184.4","0.9","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H8 F16 -","- C48 H8 F16 -","- C192 H32 F64 -","4","1","","Loo, Yueh-Lin; Hiszpanski, Anna M.; Kim, Bumjung; Wei, Sujun; Chiu, Chien-Yang; Steigerwald, Michael L.; Nuckolls, Colin","Unusual molecular conformations in fluorinated, contorted hexabenzocoronenes.","Organic letters","2010","12","21","4840","4843","10.1021/ol102016m","","","0.71073","MoKα","","0.1838","0.0606","","","0.1028","0.1382","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503250","14.897","0.0011","9.114","0.0006","16.3705","0.0012","90","","109.832","0.001","90","","2090.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 Au Cl N2 -","- C21 H28 Au Cl N2 -","- C84 H112 Au4 Cl4 N8 -","4","1","","Seo, Hwimin; Roberts, Benjamin P.; Abboud, Khalil A.; Merz, Jr, Kenneth M; Hong, Sukwon","Novel acyclic diaminocarbene ligands with increased steric demand and their application in gold catalysis.","Organic letters","2010","12","21","4860","4863","10.1021/ol102018z","","","0.71073","MoKα","","0.0195","0.0188","","","0.0503","0.0506","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503251","10.5907","0.0004","10.5907","0.0004","23.7251","0.001","90","","90","","90","","2661.08","0.18","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C33 H40 Au Cl N2 -","- C33 H40 Au Cl N2 -","- C132 H160 Au4 Cl4 N8 -","4","0.5","","Seo, Hwimin; Roberts, Benjamin P.; Abboud, Khalil A.; Merz, Jr, Kenneth M; Hong, Sukwon","Novel acyclic diaminocarbene ligands with increased steric demand and their application in gold catalysis.","Organic letters","2010","12","21","4860","4863","10.1021/ol102018z","","","0.71073","MoKα","","0.0118","0.0112","","","0.0282","0.0283","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503252","9.298","0.0006","9.6606","0.0006","12.1098","0.0007","90","","99.61","0.001","90","","1072.49","0.11","100","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 Au Cl N2 -","- C9 H16 Au Cl N2 -","- C36 H64 Au4 Cl4 N8 -","4","1","","Seo, Hwimin; Roberts, Benjamin P.; Abboud, Khalil A.; Merz, Jr, Kenneth M; Hong, Sukwon","Novel acyclic diaminocarbene ligands with increased steric demand and their application in gold catalysis.","Organic letters","2010","12","21","4860","4863","10.1021/ol102018z","","","0.71073","MoKα","","0.015","0.0146","","","0.0363","0.0365","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503253","12.3938","0.0003","18.8824","0.0005","5.9739","0.0002","90","","90","","90","","1398.04","0.07","292","2","292","2","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C18 H13 N O Se -","- C18 H13 N O Se -","- C72 H52 N4 O4 Se4 -","4","1","","Balkrishna, Shah Jaimin; Bhakuni, Bhagat Singh; Chopra, Deepak; Kumar, Sangit","Cu-catalyzed efficient synthetic methodology for ebselen and related Se-N heterocycles.","Organic letters","2010","12","23","5394","5397","10.1021/ol102027j","","","0.71073","MoKα","","0.0341","0.0242","","","0.048","0.0491","","","","","","0.886","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503254","10.171","0.002","10.807","0.002","15.41","0.003","96.13","0.03","103.5","0.03","100.83","0.03","1597.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Cl N3 O8 -","- C30 H36 Cl N3 O8 -","- C60 H72 Cl2 N6 O16 -","2","1","","Che, Chao; Li, Song; Jiang, Xianlong; Quan, Junmin; Lin, Shuo; Yang, Zhen","One-pot syntheses of chromeno[3,4-c]pyrrole-3,4-diones via Ugi-4CR and intramolecular Michael addition.","Organic letters","2010","12","20","4682","4685","10.1021/ol1020477","","","0.71073","MoKα","","0.1031","0.0522","","","0.1144","0.1228","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503255","18.3907","0.0004","7.8435","0.0002","30.5956","0.0007","90","","92.8504","0.0015","90","","4407.88","0.18","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H51 N3 Si3 -","- C45 H51 N3 Si3 -","- C180 H204 N12 Si12 -","4","1","","Ji, Lei; Fang, Qi; Yuan, Mao-Sen; Liu, Zhi-Qiang; Shen, Yu-Xiang; Chen, Hong-Feng","Switching high two-photon efficiency: from 3,8,13-substituted triindole derivatives to their 2,7,12-isomers.","Organic letters","2010","12","22","5192","5195","10.1021/ol102057t","","","0.71069","MoKα","","0.1162","0.0709","","","0.1702","0.193","","","","","","0.988","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503256","7.8592","0.0001","10.66","0.0002","12.4028","0.0002","90","","104.485","0.001","90","","1006.07","0.03","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br N O -","- C10 H10 Br N O -","- C40 H40 Br4 N4 O4 -","4","1","","Ji, Lei; Fang, Qi; Yuan, Mao-Sen; Liu, Zhi-Qiang; Shen, Yu-Xiang; Chen, Hong-Feng","Switching high two-photon efficiency: from 3,8,13-substituted triindole derivatives to their 2,7,12-isomers.","Organic letters","2010","12","22","5192","5195","10.1021/ol102057t","","","0.71069","MoKα","","0.0497","0.0305","","","0.0711","0.0763","","","","","","0.949","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503257","11.5315","0.0004","8.2693","0.0003","22.9998","0.0007","90","","98.143","0.002","90","","2171.09","0.13","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 B -","- C26 H29 B -","- C104 H116 B4 -","4","1","","Ji, Lei; Fang, Qi; Yuan, Mao-Sen; Liu, Zhi-Qiang; Shen, Yu-Xiang; Chen, Hong-Feng","Switching high two-photon efficiency: from 3,8,13-substituted triindole derivatives to their 2,7,12-isomers.","Organic letters","2010","12","22","5192","5195","10.1021/ol102057t","","","0.71069","MoKα","","0.1263","0.056","","","0.137","0.1576","","","","","","0.98","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503258","7.3454","0.0009","10.6476","0.0013","12.4508","0.0016","94.782","0.002","107.021","0.002","102.586","0.002","897.39","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C42 H56 O10 -","2","1","","Yu, Fangmiao; Li, Guozhi; Gao, Peng; Gong, Hongju; Liu, Yinghua; Wu, Yongming; Cheng, Bin; Zhai, Hongbin","Concise synthesis of the oxapentacyclic core of cortistatin A.","Organic letters","2010","12","22","5135","5137","10.1021/ol102058f","","","0.71073","MoKα","","0.0691","0.0561","","","0.1515","0.1596","","","","","","0.991","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503259","6.3338","0.0002","12.6452","0.0005","19.4647","0.0009","90","","90","","90","","1558.97","0.11","150","","150","","","","","","","","","3","P 21 c n","P -2n 2a","33","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","1","","Hopkinson, Matthew N.; Ross, Jonathan E.; Giuffredi, Guy T.; Gee, Antony D.; Gouverneur, Véronique","Gold-catalyzed cascade cyclization-oxidative alkynylation of allenoates.","Organic letters","2010","12","21","4904","4907","10.1021/ol102061k","","","0.71073","MoKα","","0.0383","0.0318","","0.0801","0.0767","0.0801","","","","","","0.9601","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503260","9.8904","0.0002","13.3099","0.0002","13.8982","0.0002","90","","90","","90","","1829.56","0.05","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H10 O2 -","- C12 H10 O2 -","- C96 H80 O16 -","8","1","","Hopkinson, Matthew N.; Ross, Jonathan E.; Giuffredi, Guy T.; Gee, Antony D.; Gouverneur, Véronique","Gold-catalyzed cascade cyclization-oxidative alkynylation of allenoates.","Organic letters","2010","12","21","4904","4907","10.1021/ol102061k","","","0.71073","MoKα","","0.0598","0.0461","","0.1353","0.1249","0.1353","","","","","","0.926","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503261","8.428","0.005","8.919","0.005","9.803","0.005","93.261","0.005","100.551","0.005","95.576","0.005","718.9","0.7","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C26 H34 Cl4 N O P Pd -","- C26 H34 Cl4 N O P Pd -","- C26 H34 Cl4 N O P Pd -","1","1","","Dugal-Tessier, Julien; Dake, Gregory R.; Gates, Derek P.","Chiral phosphaalkene-oxazoline ligands for the palladium-catalyzed asymmetric allylic alkylation.","Organic letters","2010","12","20","4667","4669","10.1021/ol1020652","","","0.71069","MoKα","","0.0224","0.0208","","","0.0457","0.0463","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503262","8.713","0.0002","16.661","0.0004","19.286","0.0005","90","","90","","90","","2799.7","0.12","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 Cl2 N O P Pd -","- C27.03 H36.07 Cl2 N O P Pd -","- C108.12 H144.28 Cl8 N4 O4 P4 Pd4 -","4","1","","Dugal-Tessier, Julien; Dake, Gregory R.; Gates, Derek P.","Chiral phosphaalkene-oxazoline ligands for the palladium-catalyzed asymmetric allylic alkylation.","Organic letters","2010","12","20","4667","4669","10.1021/ol1020652","","","0.71069","MoKα","","0.0291","0.0264","","","0.0596","0.0606","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503263","16.2858","0.0003","17.5573","0.0003","26.2012","0.0005","87.426","0.001","74.596","0.001","83.114","0.001","7169.9","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C157.5 H200 Ge N20 O6.5 Si3 -","- C157.5 H190 Ge N20 O6.5 Si3 -","- C315 H380 Ge2 N40 O13 Si6 -","2","1","","Zhao, Zhixin; Cammidge, Andrew N.; Hughes, David L.; Cook, Michael J.","Modular face-to-face assembly of multichromophore arrays that absorb across the complete UV-visible spectrum and into the near-IR.","Organic letters","2010","12","22","5138","5141","10.1021/ol102068d","","","0.71073","MoKα","","0.096","0.0763","","","0.1678","0.1773","","","","","","1.06","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503264","9.212","0.004","10.137","0.004","25.14","0.011","90","","90","","90","","2347.6","1.7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 N2 O5 -","- C26 H34 N2 O5 -","- C104 H136 N8 O20 -","4","1","","Nilson, Mark G.; Funk, Raymond L.","Total synthesis of (-)-nakadomarin A.","Organic letters","2010","12","21","4912","4915","10.1021/ol102079z","","","0.71073","MoKα","","0.1394","0.0936","","","0.131","0.2033","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503265","7.1542","0.001","10.488","0.0014","15.104","0.002","71.185","0.002","82.371","0.002","74.79","0.002","1033.7","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H17 Br2 Cl2 N5 O3 S -","- C14 H17 Br2 Cl2 N5 O3 S -","- C28 H34 Br4 Cl4 N10 O6 S2 -","2","1","","Mukherjee, Sabuj; Sivappa, Rasapalli; Yousufuddin, Muhammed; Lovely, Carl J.","Asymmetric total synthesis of ent-cyclooroidin.","Organic letters","2010","12","21","4940","4943","10.1021/ol1020916","","","0.71073","MoKα","","0.052","0.0369","","","0.1064","0.1332","","","","","","1.025","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503266","7.8779","0.0009","11.7191","0.0014","20.476","0.002","90","","90","","90","","1890.4","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Cl O6 -","- C20 H17 Cl O6 -","- C80 H68 Cl4 O24 -","4","1","","Liu, Chunliang; Zhang, Xinshuai; Wang, Rui; Wang, Wei","""One-pot"" access to 4H-chromenes with formation of a chiral quaternary stereogenic center by a highly enantioselective iminium-allenamine involved oxa-Michael-aldol cascade.","Organic letters","2010","12","21","4948","4951","10.1021/ol102096s","","","0.71073","MoKα","","0.0462","0.0356","","","0.08","0.0852","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503267","10.9886","0.0004","14.9452","0.0009","15.3795","0.0006","110.42","0.003","108.303","0.002","100.582","0.003","2121.73","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C107.5 H103.5 N10.5 O8.5 -","- C100 H88 N6 O6 -","- C100 H88 N6 O6 -","1","0.5","","Baumes, Jeffrey M.; Murgu, Ivan; Oliver, Allen; Smith, Bradley D.","Using the rotaxane mechanical bond to enhance chemical reactivity.","Organic letters","2010","12","21","4980","4983","10.1021/ol102132x","","","0.71073","MoKα","","0.0979","0.0574","","","0.1431","0.1577","","","","","","1.046","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503268","35.322","0.003","10.7751","0.0007","29.684","0.002","90","","122.134","0.007","90","","9566.9","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C110 H114 N12 O10 -","- C98 H86 N8 O6 -","- C392 H344 N32 O24 -","4","0.5","","Baumes, Jeffrey M.; Murgu, Ivan; Oliver, Allen; Smith, Bradley D.","Using the rotaxane mechanical bond to enhance chemical reactivity.","Organic letters","2010","12","21","4980","4983","10.1021/ol102132x","","","0.71073","MoKα","","0.0867","0.0533","","","0.1308","0.1426","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503269","20.3817","0.0017","15.3963","0.0013","12.245","0.001","90","","97.456","0.005","90","","3810","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C98 H86 N8 O6 -","- C98 H86 N8 O6 -","- C196 H172 N16 O12 -","2","0.5","","Baumes, Jeffrey M.; Murgu, Ivan; Oliver, Allen; Smith, Bradley D.","Using the rotaxane mechanical bond to enhance chemical reactivity.","Organic letters","2010","12","21","4980","4983","10.1021/ol102132x","","","0.71073","MoKα","","0.1005","0.0518","","","0.1182","0.1476","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503270","11.152","0.0007","20.0693","0.0009","15.1565","0.0008","90","","111.331","0.007","90","","3159.8","0.3","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 Cl O4 -","- C15 H21 Cl O4 -","- C120 H168 Cl8 O32 -","8","4","","Genna, Douglas T.; Hencken, Christopher P.; Siegler, Maxime A.; Posner, Gary H.","α-Chloro-β,γ-ethylenic esters: enantiocontrolled synthesis and substitutions.","Organic letters","2010","12","20","4694","4697","10.1021/ol102142a","","","0.71073","MoKα","","0.0539","0.0456","","","0.1115","0.1177","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503271","10.006","0.003","11.099","0.003","11.923","0.003","80.594","0.006","85.493","0.007","89.428","0.007","1302.3","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H22 Cl4 N3 O2 -","- C26 H22 Cl4 N3 O2 -","- C52 H44 Cl8 N6 O4 -","2","2","","Tetlow, Daniel J.; Hennecke, Ulrich; Raftery, James; Waring, Michael J.; Clarke, David S.; Clayden, Jonathan","Sequential double α-arylation of N-allylureas by asymmetric deprotonation and N→C aryl migration.","Organic letters","2010","12","23","5442","5445","10.1021/ol102155h","","","0.71073","MoKα","","0.0993","0.0805","","","0.1775","0.1873","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503272","21.7453","0.0016","18.8909","0.0014","21.9832","0.0016","90","","100.632","0.001","90","","8875.4","1.1","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H31 N O6 Si0 -","- C22 H31 N O6 -","- C352 H496 N16 O96 -","16","2","","Zhang, Bao; Wee, Andrew G. H.","Di- and trisubstituted γ-lactams via Rh(II)-carbenoid reaction of N-Cα-branched, N-bis(trimethylsilyl)methyl α-diazoamides. Synthesis of (±)-α-allokainic acid.","Organic letters","2010","12","23","5386","5389","10.1021/ol1021564","","","0.71073","MoKα","","0.0557","0.0473","","","0.1277","0.1358","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503273","7.1258","0.0005","7.1258","0.0005","59.557","0.005","90","","90","","90","","3024.1","0.4","173","2","173","2","","","","","","","","4","P 41","P 4w","76","","","","- C16 H14 O7 S -","- C16 H14 O7 S -","- C128 H112 O56 S8 -","8","2","","Wang, Yinchao; Niu, Shubin; Liu, Shuchun; Guo, Liangdong; Che, Yongsheng","The first naturally occurring thiepinols and thienol from an endolichenic fungus Coniochaeta sp.","Organic letters","2010","12","21","5081","5083","10.1021/ol102168z","","","0.71073","MoKα","","0.0787","0.0749","","","0.1796","0.1847","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503274","11.1759","0.0002","13.5506","0.0002","15.9913","0.0002","90","","90","","90","","2421.72","0.06","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Psiguadials A","","","- C30 H34 O5 -","- C30 H34 O5 -","- C120 H136 O20 -","4","1","","Shao, Meng; Wang, Ying; Liu, Zhong; Zhang, Dong-Mei; Cao, Hui-Hui; Jiang, Ren-Wang; Fan, Chun-Lin; Zhang, Xiao-Qi; Chen, He-Ru; Yao, Xin-Sheng; Ye, Wen-Cai","Psiguadials A and B, two novel meroterpenoids with unusual skeletons from the leaves of Psidium guajava.","Organic letters","2010","12","21","5040","5043","10.1021/ol102179u","","","1.54178","CuKα","","0.0427","0.0405","","","0.1124","0.1136","","","","","","1.086","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503275","6.5752","0.001","17.504","0.003","10.7096","0.0018","90","","90.862","0.016","90","","1232.5","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","guajadial","","","- C30 H34 O5 -","- C30 H34 O5 -","- C60 H68 O10 -","2","1","","Shao, Meng; Wang, Ying; Liu, Zhong; Zhang, Dong-Mei; Cao, Hui-Hui; Jiang, Ren-Wang; Fan, Chun-Lin; Zhang, Xiao-Qi; Chen, He-Ru; Yao, Xin-Sheng; Ye, Wen-Cai","Psiguadials A and B, two novel meroterpenoids with unusual skeletons from the leaves of Psidium guajava.","Organic letters","2010","12","21","5040","5043","10.1021/ol102179u","","","1.54178","CuKα","","0.122","0.1093","","","0.3091","0.3317","","","","","","1.472","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503276","6.2378","0.0002","10.0382","0.0003","26.6925","0.001","90","","90","","90","","1671.39","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O5 -","- C16 H18 Br N O5 -","- C64 H72 Br4 N4 O20 -","4","1","","Shi, Zugui; Tan, Bin; Leong, Wendy Wen Yi; Zeng, Xiaofei; Lu, Min; Zhong, Guofu","Catalytic asymmetric formal [4 + 1] annulation leading to optically active cis-isoxazoline N-oxides.","Organic letters","2010","12","23","5402","5405","10.1021/ol102181r","","","0.71073","MoKα","","0.0582","0.0396","","","0.0853","0.1048","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503277","8.90935","0.00016","21.6684","0.0004","11.1899","0.0008","90","","91.493","0.006","90","","2159.49","0.16","153.1","","153.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Br F3 O2 -","- C24 H20 Br F3 O2 -","- C96 H80 Br4 F12 O8 -","4","2","","Kawai, Hiroyuki; Tachi, Kentaro; Tokunaga, Etsuko; Shiro, Motoo; Shibata, Norio","Cinchona alkaloid-catalyzed asymmetric trifluoromethylation of alkynyl ketones with trimethylsilyl trifluoromethane.","Organic letters","2010","12","22","5104","5107","10.1021/ol102189c","","","1.54187","CuKα","","","0.0372","","","","0.0925","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503278","10.477","0.0016","10.477","0.0016","15.328","0.003","90","","90","","120","","1457.1","0.4","200.1","","200.1","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C9.5 H14 N3 -","- C9.5 H9.5 N3 -","- C57 H57 N18 -","6","1","","Suzuki, Shuichi; Fukui, Kozo; Fuyuhiro, Akira; Sato, Kazunobu; Takui, Takeji; Nakasuji, Kazuhiro; Morita, Yasushi","Hexaazaphenalene derivatives: one-pot synthesis, hydrogen-bonded chiral helix, and fluorescence properties.","Organic letters","2010","12","21","5036","5039","10.1021/ol102200v","","","0.71075","MoKα","","","0.0671","","","","0.2081","","","","","","1.126","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503279","12.412","0.007","19.626","0.011","13.146","0.008","90","","106.484","0.006","90","","3071","3","200.1","","200.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H49 Cl2 N7 -","- C28 H49 Cl2 N7 -","- C112 H196 Cl8 N28 -","4","1","","Suzuki, Shuichi; Fukui, Kozo; Fuyuhiro, Akira; Sato, Kazunobu; Takui, Takeji; Nakasuji, Kazuhiro; Morita, Yasushi","Hexaazaphenalene derivatives: one-pot synthesis, hydrogen-bonded chiral helix, and fluorescence properties.","Organic letters","2010","12","21","5036","5039","10.1021/ol102200v","","","0.7107","MoKα","","","0.0849","","","","0.2281","","","","","","1.091","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503280","9.588","0.004","18.682","0.009","11.326","0.007","90","","108.987","0.019","90","","1918.4","1.7","200.1","","200.1","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C25 H16 N6 -","- C25 H16 N6 -","- C100 H64 N24 -","4","1","","Suzuki, Shuichi; Fukui, Kozo; Fuyuhiro, Akira; Sato, Kazunobu; Takui, Takeji; Nakasuji, Kazuhiro; Morita, Yasushi","Hexaazaphenalene derivatives: one-pot synthesis, hydrogen-bonded chiral helix, and fluorescence properties.","Organic letters","2010","12","21","5036","5039","10.1021/ol102200v","","","0.71075","MoKα","","","0.0377","","","","0.109","","","","","","1.067","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503281","7.6363","0.0009","8.386","0.001","10.5061","0.0013","97.126","0.002","97.259","0.002","99.746","0.002","650.45","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl6 Hg3 N4 -","- C20 H14 Cl6 Hg3 N4 -","- C20 H14 Cl6 Hg3 N4 -","1","0.5","","Suresh, Moorthy; Mandal, Amal Kumar; Saha, Sukdeb; Suresh, E.; Mandoli, Amit; Di Liddo, Rosa; Parnigotto, Pier Paolo; Das, Amitava","Azine-based receptor for recognition of Hg2+ ion: crystallographic evidence and imaging application in live cells.","Organic letters","2010","12","23","5406","5409","10.1021/ol102204r","","","0.71073","MoKα","","0.0638","0.0548","","","0.1156","0.1187","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503282","10.6159","0.0003","12.3314","0.0003","13.4921","0.0003","81.7569","0.0015","74.4479","0.0014","81.2906","0.0014","1672.12","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 I N O -","- C18 H20 I N O -","- C72 H80 I4 N4 O4 -","4","2","","Feula, Antonio; Male, Louise; Fossey, John S.","Diastereoselective preparation of azetidines and pyrrolidines.","Organic letters","2010","12","21","5044","5047","10.1021/ol102215e","","","0.71073","MoKα","","0.0444","0.0366","","","0.0983","0.1022","","","","","","1.149","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503283","6.9828","0.0002","9.0924","0.0005","25.8129","0.0012","90","","93.829","0.003","90","","1635.21","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 I N -","- C18 H20 I N -","- C72 H80 I4 N4 -","4","1","","Feula, Antonio; Male, Louise; Fossey, John S.","Diastereoselective preparation of azetidines and pyrrolidines.","Organic letters","2010","12","21","5044","5047","10.1021/ol102215e","","","0.71073","MoKα","","0.0875","0.0503","","","0.1088","0.124","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503284","19.1303","0.0012","27.5958","0.0017","27.5077","0.0017","90","","98.274","0.001","90","","14370.6","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H100 N12 O12 S -","- C66 H97.5 N12 O12 S -","- C528 H780 N96 O96 S8 -","8","2","","Jia, Chuandong; Wu, Biao; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Tetraureas versus triureas in sulfate binding.","Organic letters","2010","12","24","5612","5615","10.1021/ol102221x","","","0.71073","MoKα","","0.182","0.0797","","","0.1794","0.2263","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503285","11.3043","0.0004","10.2934","0.0003","10.2398","0.0003","90","","91.053","0.001","90","","1191.3","0.06","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Miao, Lei; Haque, Imranul; Manzoni, Maria R.; Tham, Weng Siong; Chemler, Sherry R.","Diastereo- and enantioselective copper-catalyzed intramolecular carboamination of alkenes for the synthesis of hexahydro-1H-benz[f]indoles.","Organic letters","2010","12","21","4739","4741","10.1021/ol102233g","","","0.71073","MoKα","","0.0419","0.0313","","","0.0794","0.0866","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503286","5.3412","0.0001","10.8365","0.0003","11.3636","0.0003","94.371","0.001","91.027","0.001","91.355","0.001","655.5","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C28 H38 N2 O6 S2 -","2","1","","Miao, Lei; Haque, Imranul; Manzoni, Maria R.; Tham, Weng Siong; Chemler, Sherry R.","Diastereo- and enantioselective copper-catalyzed intramolecular carboamination of alkenes for the synthesis of hexahydro-1H-benz[f]indoles.","Organic letters","2010","12","21","4739","4741","10.1021/ol102233g","","","0.71073","MoKα","","0.0339","0.029","","","0.0762","0.0809","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503287","10.1023","0.0004","10.2563","0.0006","12.5612","0.0006","78.656","0.004","74.978","0.004","68.06","0.005","1158.71","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H27 N O2 -","- C29 H27 N O2 -","- C58 H54 N2 O4 -","2","1","","Cao, Jian; Huang, Xian","Facile synthesis of tetrahydro-1H-isoindolones via a sequential three-component copper-catalyzed coupling/propargyl-allenyl isomerization/[4 + 2] cyclization reaction.","Organic letters","2010","12","21","5048","5051","10.1021/ol102235t","","","0.71073","MoKα","","0.0587","0.0385","","","0.0954","0.0998","","","","","","0.98","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503288","9.0955","0.001","11.2163","0.0014","11.8083","0.0015","113.64","0.012","108.357","0.011","96.114","0.01","1009.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N O -","- C27 H25 N O -","- C54 H50 N2 O2 -","2","1","","Cao, Jian; Huang, Xian","Facile synthesis of tetrahydro-1H-isoindolones via a sequential three-component copper-catalyzed coupling/propargyl-allenyl isomerization/[4 + 2] cyclization reaction.","Organic letters","2010","12","21","5048","5051","10.1021/ol102235t","","","0.71073","MoKα","","0.0943","0.0399","","","0.0835","0.0948","","","","","","0.832","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1503289","10.3682","0.0014","16.537","0.002","28.698","0.004","90","","90.958","0.002","90","","4919.8","1.1","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H56 Br Cl4 N9 -","- C50 H46 Br Cl4 N9 -","- C200 H184 Br4 Cl16 N36 -","4","1","","Uchida, Natsuko; Taketoshi, Ayako; Kuwabara, Junpei; Yamamoto, Toshihide; Inoue, Yoshiaki; Watanabe, Yu; Kanbara, Takaki","Synthesis, characterization, and catalytic reactivity of a highly basic macrotricyclic aminopyridine.","Organic letters","2010","12","22","5242","5245","10.1021/ol102236f","","","0.71073","MoKa","","","0.1019","","","","0.3464","","","","","","1.361","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503290","9.91","0.001","6.3413","0.0006","28.512","0.003","90","","96.138","0.002","90","","1781.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 Br O4 -","- C18 H21 Br O4 -","- C72 H84 Br4 O16 -","4","2","","Yang, Juanjuan; Li, Wenjun; Jin, Zhichao; Liang, Xinmiao; Ye, Jinxing","Enantioselective Michael reaction of α-alkyl-β-keto esters and enones under multifunctional catalysis.","Organic letters","2010","12","22","5218","5221","10.1021/ol102256v","","","0.71073","MoKα","","0.1169","0.0444","","","0.0791","0.0988","","","","","","0.879","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503291","11.0609","0.0008","8.0727","0.0007","14.9313","0.0015","90","","109.045","0.005","90","","1260.26","0.19","200","2","200","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H37 I O Si -","- C25 H37 I O Si -","- C50 H74 I2 O2 Si2 -","2","1","","Pradal, Alexandre; Nasr, Alexandre; Toullec, Patrick Y.; Michelet, Veronique","Room-temperature metal-free electrophilic 5-endo-selective iodocarbocyclization of 1,5-enynes.","Organic letters","2010","12","22","5222","5225","10.1021/ol102257z","","","0.71073","MoKα","","0.0487","0.0293","","","0.0578","0.0631","","","","","","1.037","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503292","13.3316","0.0015","13.1483","0.0014","11.2928","0.0013","90","","112.91","0.002","90","","1823.3","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C100 H72 N8 -","4","1","","Chen, Jinlei; Song, Guoyong; Pan, Cheng-Ling; Li, Xingwei","Rh(III)-catalyzed oxidative coupling of N-aryl-2-aminopyridine with alkynes and alkenes.","Organic letters","2010","12","23","5426","5429","10.1021/ol1022596","","","0.71073","MoKα","","0.1181","0.0515","","","0.124","0.1533","","","","","","0.992","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503293","21.7125","0.001","20.0272","0.001","9.6399","0.0004","90","","95.905","0.001","90","","4169.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 N2 -","- C29 H20 N2 -","- C232 H160 N16 -","8","2","","Chen, Jinlei; Song, Guoyong; Pan, Cheng-Ling; Li, Xingwei","Rh(III)-catalyzed oxidative coupling of N-aryl-2-aminopyridine with alkynes and alkenes.","Organic letters","2010","12","23","5426","5429","10.1021/ol1022596","","","0.71073","MoKα","","0.0768","0.043","","","0.1032","0.1294","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503294","9.6691","0.0011","12.2798","0.0013","17.5194","0.0019","86.733","0.002","79.629","0.002","81.639","0.002","2023.4","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 N2 -","- C27 H22 N2 -","- C108 H88 N8 -","4","2","","Chen, Jinlei; Song, Guoyong; Pan, Cheng-Ling; Li, Xingwei","Rh(III)-catalyzed oxidative coupling of N-aryl-2-aminopyridine with alkynes and alkenes.","Organic letters","2010","12","23","5426","5429","10.1021/ol1022596","","","0.71073","MoKα","","0.0953","0.0478","","","0.1046","0.1283","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503295","9.5949","0.0002","12.2464","0.0002","13.8441","0.0003","112.003","0.001","98.392","0.001","95.769","0.001","1470.58","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H46 N2 O2 S -","- C30 H46 N2 O2 S -","- C60 H92 N4 O4 S2 -","2","1","","Garnsey, Michelle R.; Lim, Daniel; Yost, Julianne M.; Coltart, Don M.","Development of a strategy for the asymmetric synthesis of polycyclic polyprenylated acylphloroglucinols via N-amino cyclic carbamate hydrazones: application to the total synthesis of (+)-clusianone.","Organic letters","2010","12","22","5234","5237","10.1021/ol1022728","","","0.71073","MoKα","","0.0609","0.043","","","0.1065","0.1181","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503296","8.1021","0.0002","9.1077","0.0002","22.0686","0.0005","90","","90","","90","","1628.48","0.07","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Garnsey, Michelle R.; Lim, Daniel; Yost, Julianne M.; Coltart, Don M.","Development of a strategy for the asymmetric synthesis of polycyclic polyprenylated acylphloroglucinols via N-amino cyclic carbamate hydrazones: application to the total synthesis of (+)-clusianone.","Organic letters","2010","12","22","5234","5237","10.1021/ol1022728","","","0.71073","MoKα","","0.0433","0.0395","","","0.0979","0.1004","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503297","18.994","0.003","7.2836","0.001","25.679","0.004","90","","90","","90","","3552.6","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 O3 Si -","- C18 H24 O3 Si -","- C144 H192 O24 Si8 -","8","1","","Harb, Hassan Y.; Collins, Karl D.; Garcia Altur, Jose V.; Bowker, Sue; Campbell, Leonie; Procter, David J.","SmI~2~-mediated radical cyclizations directed by a C-Si bond","Organic Letters","2010","12","23","5446","5449","10.1021/ol102278c","","","0.71073","MoKα","","0.125","0.1041","","","0.264","0.2796","","","","","","1.11","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503298","19.902","0.002","24.903","0.003","6.7798","0.0008","90","","90","","90","","3360.2","0.7","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H25 O3.5 Si -","- C17 H25 O3.5 Si -","- C136 H200 O28 Si8 -","8","2","","Harb, Hassan Y.; Collins, Karl D.; Garcia Altur, Jose V.; Bowker, Sue; Campbell, Leonie; Procter, David J.","SmI~2~-mediated radical cyclizations directed by a C-Si bond","Organic Letters","2010","12","23","5446","5449","10.1021/ol102278c","","","0.71073","MoKα","","0.0806","0.0652","","","0.104","0.1155","","","","","","1.114","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503299","19.059","0.003","10.62","0.002","11.276","0.002","90","","102.039","0.004","90","","2232.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 O3 Si -","- C27 H28 O3 Si -","- C108 H112 O12 Si4 -","4","1","","Harb, Hassan Y.; Collins, Karl D.; Garcia Altur, Jose V.; Bowker, Sue; Campbell, Leonie; Procter, David J.","SmI~2~-mediated radical cyclizations directed by a C-Si bond","Organic Letters","2010","12","23","5446","5449","10.1021/ol102278c","","","0.71073","MoKα","","0.0586","0.0432","","","0.1014","0.1072","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503300","20.92","0.06","7.65","0.02","31.32","0.09","90","","106.74","0.05","90","","4800","2","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5,5'-Bis{2-{2-[bis(perfluorophenyl)boryl]-3,4,5,6-tetrafluorophenyl}thiazol-5-yl}-2,2'-bithiophene","","- C50 H6 B2 F28 N2 S4 -","- C50 H6 B2 F28 N2 S4 -","- C200 H24 B8 F112 N8 S16 -","4","0.5","","Job, Andre; Wakamiya, Atsushi; Kehr, Gerald; Erker, Gerhard; Yamaguchi, Shigehiro","Electronic tuning of thiazolyl-capped π-conjugated compounds via a coordination/cyclization protocol with B(C6F5)3.","Organic letters","2010","12","23","5470","5473","10.1021/ol102282x","","","0.7107","MoKa","","0.1233","0.1041","","","0.2903","0.319","","","","","","1.217","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503301","9.643","0.0015","9.7878","0.0015","11.8868","0.0018","69.786","0.004","75.641","0.004","71.826","0.005","987.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 F2 N O3 -","- C25 H21 F2 N O3 -","- C50 H42 F4 N2 O6 -","2","1","","Kizirian, Jean-Claude; Aiguabella, Nuria; Pesquer, Albert; Fustero, Santos; Bello, Paula; Verdaguer, Xavier; Riera, Antoni","Regioselectivity in intermolecular Pauson-Khand reactions of dissymmetric fluorinated alkynes.","Organic letters","2010","12","24","5620","5623","10.1021/ol102283c","","","0.71073","MoKα","","0.055","0.0446","","","0.1228","0.1309","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503302","8.2737","0.0003","8.8338","0.0003","8.9645","0.0003","95.219","0.002","96.834","0.001","101.066","0.001","634.08","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C28 H34 N2 O10 -","2","1","","Kizirian, Jean-Claude; Aiguabella, Nuria; Pesquer, Albert; Fustero, Santos; Bello, Paula; Verdaguer, Xavier; Riera, Antoni","Regioselectivity in intermolecular Pauson-Khand reactions of dissymmetric fluorinated alkynes.","Organic letters","2010","12","24","5620","5623","10.1021/ol102283c","","","0.71073","MoKα","","0.0384","0.0364","","","0.1016","0.1035","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503303","6.1289","0.0007","14.4426","0.0017","21.1","0.003","90","","90","","90","","1867.7","0.4","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O3 -","- C19 H26 N2 O3 -","- C76 H104 N8 O12 -","4","1","","Krow, Grant R.; Liu, Nian; Sender, Matthew; Lin, Guoliang; Centafont, Ryan; Sonnet, Philip E.; DeBrosse, Charles; Ross, 3rd, Charles W; Carroll, Patrick J.; Shoulders, Matthew D.; Raines, Ronald T.","Oligomers of a 5-carboxy-methanopyrrolidine β-amino acid. A search for order.","Organic letters","2010","12","23","5438","5441","10.1021/ol1022917","","","0.71069","MoKα","","0.0544","0.0342","","","0.0618","0.0678","","","","","","0.828","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503304","23.844","0.006","6.1411","0.0012","23.447","0.005","90","","110.722","0.006","90","","3211.2","1.2","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H40 N4 O7 -","- C30 H40 N4 O7 -","- C120 H160 N16 O28 -","4","1","","Krow, Grant R.; Liu, Nian; Sender, Matthew; Lin, Guoliang; Centafont, Ryan; Sonnet, Philip E.; DeBrosse, Charles; Ross, 3rd, Charles W; Carroll, Patrick J.; Shoulders, Matthew D.; Raines, Ronald T.","Oligomers of a 5-carboxy-methanopyrrolidine β-amino acid. A search for order.","Organic letters","2010","12","23","5438","5441","10.1021/ol1022917","","","0.71073","MoKα","","0.0848","0.0742","","","0.1802","0.1886","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503305","15.3881","0.0012","16.3157","0.0009","20.469","0.0011","90","","90","","90","","5139.1","0.6","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H64 B2 N2 Si -","- C60 H64 B2 N2 Si -","- C240 H256 B8 N8 Si4 -","4","1","","Murphy, Stephen K.; Baik, Chul; Lu, Jia-Sheng; Wang, Suning","Single boryl isomerization in silyl-bridged photochromic diboryl dyes.","Organic letters","2010","12","22","5266","5269","10.1021/ol102319t","","","0.71073","MoKα","","0.1597","0.0744","","","0.1529","0.1983","","","","","","0.962","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503306","10.2709","0.0003","10.5742","0.0003","19.7677","0.0006","90","","90","","90","","2146.9","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 F5 N O3 S -","- C20 H26 F5 N O3 S -","- C80 H104 F20 N4 O12 S4 -","4","1","","Fustero, Santos; Moscardó, Javier; Sánchez-Roselló, María; Rodríguez, Elsa; Barrio, Pablo","Tandem nucleophilic addition-intramolecular aza-Michael reaction: facile synthesis of chiral fluorinated isoindolines.","Organic letters","2010","12","23","5494","5497","10.1021/ol102341n","","","1.54178","CuKα","","0.0254","0.0248","","","0.0636","0.064","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503307","22.1879","0.0004","22.1879","0.0004","3.8717","0.0001","90","","90","","90","","1906.05","0.07","120","2","120","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C6 H2.5 Br2 N2 O0.25 S2 -","- C6 H2.5 Br2 N2 O0.25 S2 -","- C48 H20 Br16 N16 O2 S16 -","8","1","","Al-Hashimi, Mohammed; Labram, John G.; Watkins, Scott; Motevalli, Majid; Anthopoulos, Thomas D.; Heeney, Martin","Synthesis and characterization of fused pyrrolo[3,2-d:4,5-d']bisthiazole-containing polymers.","Organic letters","2010","12","23","5478","5481","10.1021/ol102344m","","","0.71073","MoKα","","0.0342","0.0273","","","0.059","0.0613","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503308","23.9704","0.001","23.9704","0.001","6.9043","0.0005","90","","90","","90","","3967.1","0.4","120","2","120","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C12 H18 Br2 N2 S2 Si2 -","- C12 H18 Br2 N2 S2 Si2 -","- C96 H144 Br16 N16 S16 Si16 -","8","1","","Al-Hashimi, Mohammed; Labram, John G.; Watkins, Scott; Motevalli, Majid; Anthopoulos, Thomas D.; Heeney, Martin","Synthesis and characterization of fused pyrrolo[3,2-d:4,5-d']bisthiazole-containing polymers.","Organic letters","2010","12","23","5478","5481","10.1021/ol102344m","","","0.71073","MoKα","","0.1538","0.0624","","","0.0994","0.1206","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503309","7.6062","0.0015","8.0825","0.0016","8.2497","0.0016","68.67","0.03","69.49","0.03","85.84","0.03","441.6","0.2","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H8 B Br O3 -","- C7 H8 B Br O3 -","- C14 H16 B2 Br2 O6 -","2","1","","Qiu, Di; Mo, Fanyang; Zheng, Zhitong; Zhang, Yan; Wang, Jianbo","Gold(III)-catalyzed halogenation of aromatic boronates with N-halosuccinimides.","Organic letters","2010","12","23","5474","5477","10.1021/ol102350v","","","0.71073","MoKα","","0.1091","0.0865","","","0.2322","0.2524","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503310","11.061","0.002","9.6443","0.0019","13.449","0.003","90","","93.93","0.03","90","","1431.3","0.5","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 B Br O3 -","- C13 H18 B Br O3 -","- C52 H72 B4 Br4 O12 -","4","1","","Qiu, Di; Mo, Fanyang; Zheng, Zhitong; Zhang, Yan; Wang, Jianbo","Gold(III)-catalyzed halogenation of aromatic boronates with N-halosuccinimides.","Organic letters","2010","12","23","5474","5477","10.1021/ol102350v","","","0.71073","MoKα","","0.1399","0.0717","","","0.1524","0.1739","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503311","9.867","0.002","11.972","0.002","13.193","0.003","90","","98.78","0.03","90","","1540.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 B Br2 O3 -","- C12 H15 B Br2 O3 -","- C48 H60 B4 Br8 O12 -","4","1","","Qiu, Di; Mo, Fanyang; Zheng, Zhitong; Zhang, Yan; Wang, Jianbo","Gold(III)-catalyzed halogenation of aromatic boronates with N-halosuccinimides.","Organic letters","2010","12","23","5474","5477","10.1021/ol102350v","","","0.71073","MoKα","","0.2306","0.0618","","","0.1024","0.1193","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503312","7.6062","0.0015","8.0825","0.0016","8.2497","0.0016","68.67","0.03","69.49","0.03","85.84","0.03","441.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H8 B Br O3 -","- C7 H8 B Br O3 -","- C14 H16 B2 Br2 O6 -","2","1","","Qiu, Di; Mo, Fanyang; Zheng, Zhitong; Zhang, Yan; Wang, Jianbo","Gold(III)-catalyzed halogenation of aromatic boronates with N-halosuccinimides.","Organic letters","2010","12","23","5474","5477","10.1021/ol102350v","","","0.71073","MoKα","","0.108","0.0852","","","0.2269","0.2472","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503313","8.089","0.003","9.221","0.004","9.805","0.004","70.49","0.03","68.96","0.02","73.73","0.03","632.6","0.5","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C8 H16 N2 O4 S2 -","- C8 H16 N2 O4 S2 -","- C16 H32 N4 O8 S4 -","2","2","","Wang, Yazhou; Hu, Xichao; Du, Haifeng","Vicinal-diamine-based chiral chain dienes as ligands for rhodium(I)-catalyzed highly enantioselective conjugated additions.","Organic letters","2010","12","23","5482","5485","10.1021/ol1023536","","","0.71073","MoKα","","0.1031","0.0882","","","0.2442","0.2712","","","","","","1.1","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503314","5.5207","0.0004","10.1453","0.0008","38.011","0.003","90","","90","","90","","2129","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O8 -","- C20 H28 O7.99 -","- C80 H112 O31.96 -","4","1","","Afarinkia, Kamyar; Haji Abdullahi, Mohamed; Scowen, Ian J.","A synthesis of carbasugar-sugar pseudodisaccharides via a cycloaddition-cycloreversion reaction of 2H-pyran-2-ones.","Organic letters","2010","12","23","5564","5566","10.1021/ol102358s","","","0.71073","MoKα","","0.1279","0.0496","","","0.1109","0.1324","","","","","","0.935","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503315","13.019","0.0003","8.5252","0.0002","21.5504","0.0006","90","","101.807","0.001","90","","2341.26","0.1","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H35 O9 -","- C23 H28 O9 -","- C92 H112 O36 -","4","2","","Afarinkia, Kamyar; Haji Abdullahi, Mohamed; Scowen, Ian J.","A synthesis of carbasugar-sugar pseudodisaccharides via a cycloaddition-cycloreversion reaction of 2H-pyran-2-ones.","Organic letters","2010","12","23","5564","5566","10.1021/ol102358s","","","0.71073","MoKα","","0.058","0.0506","","","0.1428","0.148","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503316","10.6995","0.0009","11.0327","0.0009","14.2428","0.0012","69.378","0.003","84.454","0.003","67.575","0.003","1453.2","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H24 N4 -","- C40 H24 N4 -","- C80 H48 N8 -","2","1","","Andrew, Trisha L.; Cox, Jason R.; Swager, Timothy M.","Synthesis, reactivity, and electronic properties of 6,6-dicyanofulvenes.","Organic letters","2010","12","22","5302","5305","10.1021/ol102384k","","","1.54178","CuKα","","0.035","0.0337","","","0.0855","0.0867","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503317","11.7567","0.0009","11.2192","0.0008","24.6046","0.0018","90","","91.951","0.001","90","","3243.5","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","1","","Andrew, Trisha L.; Cox, Jason R.; Swager, Timothy M.","Synthesis, reactivity, and electronic properties of 6,6-dicyanofulvenes.","Organic letters","2010","12","22","5302","5305","10.1021/ol102384k","","","0.71073","MoKα","","0.0486","0.0438","","","0.1174","0.1231","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503318","10.4667","0.0002","9.4672","0.0002","23.039","0.0004","90","","93.168","0.001","90","","2279.45","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 N2 -","- C32 H20 N2 -","- C128 H80 N8 -","4","1","","Andrew, Trisha L.; Cox, Jason R.; Swager, Timothy M.","Synthesis, reactivity, and electronic properties of 6,6-dicyanofulvenes.","Organic letters","2010","12","22","5302","5305","10.1021/ol102384k","","","1.54178","CuKα","","0.0397","0.036","","","0.0907","0.0941","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503319","10.6357","0.0002","12.4031","0.0002","22.803","0.0003","90","","90","","90","","3008.07","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C160 H112 N16 O8 -","8","1","","Andrew, Trisha L.; Cox, Jason R.; Swager, Timothy M.","Synthesis, reactivity, and electronic properties of 6,6-dicyanofulvenes.","Organic letters","2010","12","22","5302","5305","10.1021/ol102384k","","","1.54178","CuKα","","0.0385","0.0361","","","0.0921","0.0946","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503320","7.3388","0.0008","15.918","0.0018","29.55","0.003","90","","90","","90","","3452","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br2 N O -","- C20 H17 Br2 N O -","- C160 H136 Br16 N8 O8 -","8","2","","Li, Le; Seidel, Daniel","Catalytic enantioselective Friedländer condensations: facile access to quinolines with remote stereogenic centers.","Organic letters","2010","12","21","5064","5067","10.1021/ol1023932","","","0.71073","MoKα","","0.0475","0.0338","","","0.0743","0.0791","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503321","12.191","0.003","7.1808","0.0017","13.68","0.003","90","","103.631","0.004","90","","1163.8","0.5","123.1","","123","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 Cu O5 S -","- C10 H12 Cu O5 S -","- C40 H48 Cu4 O20 S4 -","4","1","","Matsuo, Kazumasa; Shindo, Mitsuru","Cu(II)-catalyzed acylation by thiol esters under neutral conditions: tandem acylation-wittig reaction leading to a one-pot synthesis of butenolides.","Organic letters","2010","12","22","5346","5349","10.1021/ol102407k","","","0.7107","MoKα","","","0.0264","","","","0.0723","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503322","6.9575","0.001","8.3542","0.0012","11.9845","0.0017","74.696","0.003","75.421","0.002","74.571","0.003","635.22","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 Br O4 -","- C13 H13 Br O4 -","- C26 H26 Br2 O8 -","2","1","","Sun, Yin-Wei; Guan, Xiao-Yang; Shi, Min","Synthesis of functionalized chromans by PnBu3-catalyzed reactions of salicylaldimines and salicylaldehydes with allenic ester.","Organic letters","2010","12","24","5664","5667","10.1021/ol102461c","","","0.71073","MoKα","","0.0659","0.0582","","","0.141","0.1453","","","","","","0.978","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503323","11.9314","0.0004","14.6278","0.0005","17.7556","0.0007","90","","90","","90","","3098.89","0.19","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H31 Fe N2 P S -","- C37 H31 Fe N2 P S -","- C148 H124 Fe4 N8 P4 S4 -","4","1","","Zhang, Cheng; Yu, Sai-Bo; Hu, Xiang-Ping; Wang, Dao-Yong; Zheng, Zhuo","New chiral ferrocenyl P,S-ligands for highly diastereo-/enantioselective catalytic [3 + 2] cycloaddition of azomethine ylides with cyclic and acyclic enones.","Organic letters","2010","12","23","5542","5545","10.1021/ol1024647","","","0.71073","MoKα","","0.0466","0.036","","","0.0753","0.0796","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503324","11.135","0.004","12.976","0.004","13.502","0.005","66.977","0.003","72.14","0.004","78.98","0.004","1703.3","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O4 -","- C18.998 H24 O4 -","- C75.992 H96 O16 -","4","2","","Cai, Zhengxin; Harmata, Michael","Studies directed toward the synthesis of hamigeran B: a catalytic oxidative cyclization.","Organic letters","2010","12","24","5668","5670","10.1021/ol102478h","","","0.71073","MoKα","","0.0565","0.0469","","","0.1209","0.1294","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503325","7.61","0.0007","16.8437","0.0015","13.2376","0.0012","90","","90","","90","","1696.8","0.3","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C20 H18 Cl2 Pd -","- C20 H18 Cl2 Pd -","- C80 H72 Cl8 Pd4 -","4","0.5","","Zhang, Shu-Sheng; Wang, Zhi-Qian; Xu, Ming-Hua; Lin, Guo-Qiang","Chiral diene as the ligand for the synthesis of axially chiral compounds via palladium-catalyzed Suzuki-Miyaura coupling reaction.","Organic letters","2010","12","23","5546","5549","10.1021/ol102521q","","","0.71073","MoKα","","0.0244","0.0229","","","0.0485","0.049","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503326","11.846","0.0008","13.2656","0.0009","15.6468","0.0011","90","","90","","90","","2458.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cl4 Pd -","- C25 H28 Cl4 Pd -","- C100 H112 Cl16 Pd4 -","4","1","","Zhang, Shu-Sheng; Wang, Zhi-Qian; Xu, Ming-Hua; Lin, Guo-Qiang","Chiral diene as the ligand for the synthesis of axially chiral compounds via palladium-catalyzed Suzuki-Miyaura coupling reaction.","Organic letters","2010","12","23","5546","5549","10.1021/ol102521q","","","0.71073","MoKα","","0.0335","0.0321","","","0.075","0.0757","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503327","9.9003","0.0007","10.2094","0.0007","35.051","0.003","90","","90","","90","","3542.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H38 Cl4 Rh2 -","- C41 H36 Cl4 Rh2 -","- C164 H144 Cl16 Rh8 -","4","1","","Zhang, Shu-Sheng; Wang, Zhi-Qian; Xu, Ming-Hua; Lin, Guo-Qiang","Chiral diene as the ligand for the synthesis of axially chiral compounds via palladium-catalyzed Suzuki-Miyaura coupling reaction.","Organic letters","2010","12","23","5546","5549","10.1021/ol102521q","","","0.71073","MoKα","","0.0497","0.0396","","","0.0888","0.0928","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503328","5.318","0.0006","13.1826","0.0014","20.997","0.002","90","","90","","90","","1472","0.3","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 -","- C20 H18 -","- C80 H72 -","4","1","","Zhang, Shu-Sheng; Wang, Zhi-Qian; Xu, Ming-Hua; Lin, Guo-Qiang","Chiral diene as the ligand for the synthesis of axially chiral compounds via palladium-catalyzed Suzuki-Miyaura coupling reaction.","Organic letters","2010","12","23","5546","5549","10.1021/ol102521q","","","0.71073","MoKα","","0.086","0.0386","","","0.0629","0.0738","","","","","","0.857","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503329","39.2278","0.0012","5.012","0.0002","24.2164","0.0007","90","","124.793","0.001","90","","3910","0.2","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","6-Methyl-3,4-di-p-tolyl-4,5-dihydropentalene-1- carboxylic acid methyl ester","","- C25 H24 O2 -","- C25 H24 O2 -","- C200 H192 O16 -","8","1","","Shibata, Yu; Noguchi, Keiichi; Tanaka, Ken","Cationic rhodium(I) complex-catalyzed cotrimerization of propargyl esters and arylacetylenes leading to substituted dihydropentalenes.","Organic letters","2010","12","23","5596","5599","10.1021/ol1025266","","","1.54187","CuKα","","0.0955","0.0581","","","0.1534","0.1833","","","","","","0.909","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503330","10.969","0.004","19.154","0.003","15.685","0.002","90","","104.199","0.014","90","","3194.7","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H44 B N2 O -","- C41 H44 B N2 O -","- C164 H176 B4 N8 O4 -","4","1","","Taylor, James E.; Jones, Matthew D.; Williams, Jonathan M. J.; Bull, Steven D.","Friedel-Crafts acylation of pyrroles and indoles using 1,5-diazabicyclo[4.3.0]non-5-ene (DBN) as a nucleophilic catalyst.","Organic letters","2010","12","24","5740","5743","10.1021/ol1025348","","","0.71073","MoKα","","0.1218","0.0796","","","0.2174","0.2585","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503331","12.899","0.006","6.511","0.003","15.349","0.008","90","","112.318","0.006","90","","1192.5","1","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H22 Cl2 F3 N O3 -","- C24 H22 Cl2 F3 N O3 -","- C48 H44 Cl4 F6 N2 O6 -","2","1","","Aikawa, Kohsuke; Hioki, Yūta; Mikami, Koichi","Highly enantioselective alkynylation of trifluoropyruvate with alkynylsilanes catalyzed by the BINAP-Pd complex: access to α-trifluoromethyl-substituted tertiary alcohols.","Organic letters","2010","12","24","5716","5719","10.1021/ol102541s","","","0.71073","MoKα","","0.1251","0.0962","","","0.2845","0.3041","","","","","","1.122","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503332","8.3959","0.0009","20.777","0.002","11.9679","0.0013","90","","105.102","0.002","90","","2015.6","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl N2 O6 -","- C19 H17 Cl N2 O6 -","- C76 H68 Cl4 N8 O24 -","4","2","","Zhang, Fu-Gen; Yang, Qing-Qing; Xuan, Jun; Lu, Hai-Hua; Duan, Shu-Wen; Chen, Jia-Rong; Xiao, Wen-Jing","Enantioselective conjugate addition of oximes to trisubstituted β-nitroacrylates: an organocatalytic approach to β(2,2)-amino acid derivatives.","Organic letters","2010","12","24","5636","5639","10.1021/ol102580n","","","0.71073","MoKα","","0.0725","0.0647","","","0.1739","0.1816","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503333","9.8701","0.0005","20.1152","0.0011","12.7485","0.0007","90","","112.629","0.002","90","","2336.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 F2 O3 -","- C32 H20 F2 O3 -","- C128 H80 F8 O12 -","4","1","","Sánchez-Larios, Eduardo; Holmes, Janice M.; Daschner, Crystal L.; Gravel, Michel","NHC-catalyzed spiro bis-indane formation via domino Stetter-aldol-Michael and Stetter-aldol-aldol reactions.","Organic letters","2010","12","24","5772","5775","10.1021/ol102685u","","","1.54184","CuKα","","0.057","0.0541","","","0.1411","0.1445","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503334","12.3211","0.0006","18.0094","0.0009","11.1151","0.0006","90","","98.367","0.002","90","","2440.1","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O4 -","- C32 H24 O4 -","- C128 H96 O16 -","4","1","","Sánchez-Larios, Eduardo; Holmes, Janice M.; Daschner, Crystal L.; Gravel, Michel","NHC-catalyzed spiro bis-indane formation via domino Stetter-aldol-Michael and Stetter-aldol-aldol reactions.","Organic letters","2010","12","24","5772","5775","10.1021/ol102685u","","","1.54184","CuKα","","0.0567","0.0555","","","0.1404","0.142","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503335","11.0811","0.0004","12.4394","0.0004","12.5442","0.0004","90","","90","","90","","1729.12","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 O3 -","- C24 H16 O3 -","- C96 H64 O12 -","4","1","","Sánchez-Larios, Eduardo; Holmes, Janice M.; Daschner, Crystal L.; Gravel, Michel","NHC-catalyzed spiro bis-indane formation via domino Stetter-aldol-Michael and Stetter-aldol-aldol reactions.","Organic letters","2010","12","24","5772","5775","10.1021/ol102685u","","","1.54184","CuKα","","0.0406","0.0401","","","0.1079","0.1085","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503336","9.5081","0.0007","9.5081","0.0007","17.135","0.002","90","","90","","120","","1341.5","0.2","173","2","173","2","","","","","","","","5","P 31","P 31","144","10127a","","","- C21 H18 Br N O2 -","- C21 H18 Br N O2 -","- C63 H54 Br3 N3 O6 -","3","1","","Hayashi, Ryuji; Walton, Mary C.; Hsung, Richard P.; Schwab, John H.; Yu, Xueliang","Stereoselective 6π-electron electrocyclic ring closures of 2-halo-amidotrienes via a remote 1,6-asymmetric induction.","Organic letters","2010","12","24","5768","5771","10.1021/ol102693e","","","0.71073","MoKα","","0.0581","0.0389","","","0.0869","0.0941","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503337","22.1067","0.001","8.7972","0.0004","7.6712","0.0003","90","","90","","90","","1491.87","0.11","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H16 N2 S -","- C16 H16 N2 S -","- C64 H64 N8 S4 -","4","1","","Ramana, Tamminana; Saha, Prasenjit; Das, Manas; Punniyamurthy, Tharmalingam","Copper-catalyzed domino intra- and intermolecular C-S cross-coupling reactions: synthesis of 2-(arylthio)arylcyanamides.","Organic letters","2010","12","1","84","87","10.1021/ol9024088","","","0.71073","MoKα","","0.0798","0.0396","","","0.0654","0.0705","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503338","9.14","0.002","10.032","0.003","15.034","0.004","111.523","0.004","104.962","0.004","95.676","0.004","1209.8","0.6","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","4,5-dimethyl-3,6-dioxa-1,2-disila-1,1,2,2-tetraphenylcyclohexane","","- C28 H28 O2 Si2 -","- C28 H28 O2 Si2 -","- C56 H56 O4 Si4 -","2","1","","Skjel, Miranda K.; Houghton, Adrian Y.; Kirby, Andrea E.; Harrison, Daniel J.; McDonald, Robert; Rosenberg, Lisa","Silane-controlled diastereoselectivity in the tris(pentafluorophenyl)borane-catalyzed reduction of alpha-diketones to silyl-protected 1,2-Diols.","Organic letters","2010","12","2","376","379","10.1021/ol902451h","","","0.71073","MoKα","","0.1016","0.059","","","0.1507","0.1698","","","","","","1.057","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503339","9.5335","0.0006","9.5629","0.0005","9.9966","0.0005","113.758","0.005","101.296","0.005","94.518","0.005","805.25","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H48 O8 Ti2 -","- C26 H48 O8 Ti2 -","- C26 H48 O8 Ti2 -","1","0.5","","Zhou, Shuangliu; Chen, Chi-Ren; Gau, Han-Mou","Highly enantioselective 3-furylation of ketones using (3-furyl)titanium nucleophile.","Organic letters","2010","12","1","48","51","10.1021/ol902454n","","","0.71073","MoKα","","0.0552","0.0459","","","0.136","0.1395","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503340","5.8079","0.0002","7.6752","0.0002","24.1411","0.0006","90","","90","","90","","1076.13","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-2-Bromo-1-furan-3-yl-1-phenyl-ethanol","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C48 H44 Br4 O8 -","4","1","","Zhou, Shuangliu; Chen, Chi-Ren; Gau, Han-Mou","Highly enantioselective 3-furylation of ketones using (3-furyl)titanium nucleophile.","Organic letters","2010","12","1","48","51","10.1021/ol902454n","","","0.71073","MoKα","","0.0277","0.0236","","","0.057","0.0577","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503341","11.196","0.001","11.196","0.001","40.747","0.001","90","","90","","90","","5107.7","0.7","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","Psidial A","7,9-dihydroxy-2,2,4a- trimethyl-13-methylene-10-phenyl-1,2,2a,3,4,4a,10, 10a,11,12,13,13a-dodecahydrocyclobuta[6,7] cyclonona[b]chromene-6,8-dicarbaldehyde","","- C30 H34 O5 -","- C30 H34 O5 -","- C240 H272 O40 -","8","1","","Fu, Hui-Zheng; Luo, Yong-Ming; Li, Chuang-Jun; Yang, Jing-Zhi; Zhang, Dong-Ming","Psidials A-C, three unusual meroterpenoids from the leaves of Psidium guajava L.","Organic letters","2010","12","4","656","659","10.1021/ol9024869","","","0.71073","MoKα","","0.0672","0.0473","","","0.114","0.1251","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503342","14.705","0.008","7.976","0.004","12.332","0.007","90","","99.395","0.007","90","","1427","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Cl N5 O2 -","- C13 H16 Cl N5 O2 -","- C52 H64 Cl4 N20 O8 -","4","1","","Arico, Joseph W.; Calhoun, Amy K.; Salandria, Kerry J.; McLaughlin, Larry W.","Tetramethylsuccinimide as a directing/protecting group in purine glycosylations.","Organic letters","2010","12","1","120","122","10.1021/ol9025028","","","0.71073","MoKα","","0.0697","0.056","","","0.1236","0.1288","","","","","","1.125","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503343","18.015","0.002","8.9617","0.001","6.7552","0.0008","90","","90","","90","","1090.6","0.2","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H8 F3 N O4 -","- C10 H8 F3 N O4 -","- C40 H32 F12 N4 O16 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Anion-controlled stereoselective synthesis of cyclobutane derivatives by solid-state [2 + 2] cycloaddition reaction of the salts of trans-3-(4-pyridyl) acrylic acid.","Organic letters","2010","12","1","128","131","10.1021/ol9025233","","","0.71073","MoKα","","0.0675","0.0595","","","0.1616","0.1716","","","","","","1.06","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503344","11.0902","0.0008","9.1024","0.0007","27.822","0.002","90","","94.389","0.001","90","","2800.3","0.4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N3 O15 S2 -","- C24 H27 N3 O15 S2 -","- C96 H108 N12 O60 S8 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Anion-controlled stereoselective synthesis of cyclobutane derivatives by solid-state [2 + 2] cycloaddition reaction of the salts of trans-3-(4-pyridyl) acrylic acid.","Organic letters","2010","12","1","128","131","10.1021/ol9025233","","","0.71073","MoKα","","0.0416","0.0386","","","0.1015","0.1036","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503345","5.9012","0.0007","6.948","0.0008","16.0585","0.0019","90","","99.931","0.002","90","","648.56","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C32 H28 N4 O8 -","2","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Anion-controlled stereoselective synthesis of cyclobutane derivatives by solid-state [2 + 2] cycloaddition reaction of the salts of trans-3-(4-pyridyl) acrylic acid.","Organic letters","2010","12","1","128","131","10.1021/ol9025233","","","0.71073","MoKα","","0.0517","0.0493","","","0.151","0.1536","","","","","","1.131","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503346","12.3692","0.0007","8.2108","0.0005","10.8302","0.0006","90","","94.956","0.001","90","","1095.81","0.11","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F6 N2 O8 -","- C20 H16 F6 N2 O8 -","- C40 H32 F12 N4 O16 -","2","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Anion-controlled stereoselective synthesis of cyclobutane derivatives by solid-state [2 + 2] cycloaddition reaction of the salts of trans-3-(4-pyridyl) acrylic acid.","Organic letters","2010","12","1","128","131","10.1021/ol9025233","","","0.71073","MoKα","","0.0477","0.0451","","","0.1203","0.1227","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503347","29.2045","0.0015","13.3826","0.0007","11.4733","0.0006","90","","99.7","0.001","90","","4420","0.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22.75 H18 Cl0.5 N2 S2 -","- C22.75 H18 Cl0.5 N2 S2 -","- C182 H144 Cl4 N16 S16 -","8","1","","Balaji, Ganapathy; Phua, Dazril Izrar; Shim, Wong Low; Valiyaveettil, Suresh","Synthesis and characterization of unsymmetric indolodithienopyrrole and extended diindolodithienopyrrole.","Organic letters","2010","12","2","232","235","10.1021/ol902528b","","","0.71073","MoKα","","0.08","0.0696","","","0.2045","0.2147","","","","","","1.101","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503348","10.8111","0.0006","11.6692","0.0006","11.6801","0.0006","95.119","0.001","102.578","0.001","103.294","0.001","1384.49","0.13","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N3 S2 -","- C34 H31 N3 S2 -","- C68 H62 N6 S4 -","2","1","","Balaji, Ganapathy; Phua, Dazril Izrar; Shim, Wong Low; Valiyaveettil, Suresh","Synthesis and characterization of unsymmetric indolodithienopyrrole and extended diindolodithienopyrrole.","Organic letters","2010","12","2","232","235","10.1021/ol902528b","","","0.71073","MoKα","","0.0677","0.0561","","","0.1423","0.1507","","","","","","1.032","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503349","10.7732","0.0004","10.2447","0.0003","14.073","0.0004","90","","95.997","0.002","90","","1544.71","0.09","150","2","150","2","","","","","","","S Ohnmacht","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Br N2 -","- C19 H13 Br N2 -","- C76 H52 Br4 N8 -","4","1","","Ohnmacht, Stephan A.; Culshaw, Andrew J.; Greaney, Michael F.","Direct arylations of 2H-indazoles on water.","Organic letters","2010","12","2","224","226","10.1021/ol902537d","","","0.71073","MoKα","","0.0388","0.0317","","","0.0799","0.0831","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503350","9.0692","0.0011","9.1358","0.0012","10.1628","0.0013","96.846","0.002","114.132","0.002","100.193","0.002","738.92","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C36 H32 O6 -","2","1","","Han, Xiuling; Lu, Xiyan","Control of chemoselectivity by counteranions of cationic palladium complexes: a convenient enantioselective synthesis of dihydrocoumarins.","Organic letters","2010","12","1","108","111","10.1021/ol902538n","","","0.71073","MoKα","","0.07","0.0544","","","0.1498","0.1593","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503351","6.6963","0.0008","28.726","0.004","7.5586","0.0009","90","","110.643","0.002","90","","1360.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","1","","Han, Xiuling; Lu, Xiyan","Control of chemoselectivity by counteranions of cationic palladium complexes: a convenient enantioselective synthesis of dihydrocoumarins.","Organic letters","2010","12","1","108","111","10.1021/ol902538n","","","0.71073","MoKα","","0.0912","0.0599","","","0.1496","0.166","","","","","","0.97","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503352","7.7658","0.0013","13.523","0.002","13.641","0.002","90","","90","","90","","1432.5","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","","Han, Xiuling; Lu, Xiyan","Control of chemoselectivity by counteranions of cationic palladium complexes: a convenient enantioselective synthesis of dihydrocoumarins.","Organic letters","2010","12","1","108","111","10.1021/ol902538n","","","0.71073","MoKα","","0.0629","0.0442","","","0.098","0.1044","","","","","","0.952","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503353","7.5789","0.0001","15.4126","0.0002","15.8221","0.0003","90","","90","","90","","1848.19","0.05","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N O2 P -","- C19 H24 N O2 P -","- C76 H96 N4 O8 P4 -","4","1","","Popovici, Cristinel; Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; García-Granda, Santiago; Iglesias, María José; López Ortiz, Fernando","Enantioselective desymmetrization of diphenylphosphinamides via (-)-sparteine-mediated ortho-lithiation. Synthesis of P-chiral ligands.","Organic letters","2010","12","3","428","431","10.1021/ol902545q","","","1.5418","CuKα","","0.0457","0.034","","","0.0757","0.0812","","","","","","0.929","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503354","8.4417","0.0001","16.4362","0.0002","16.0375","0.0002","90","","103.244","0.001","90","","2166.01","0.05","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C44 H58 N4 O2 P2 -","- C44 H58 N4 O2 P2 -","- C88 H116 N8 O4 P4 -","2","1","","Popovici, Cristinel; Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; García-Granda, Santiago; Iglesias, María José; López Ortiz, Fernando","Enantioselective desymmetrization of diphenylphosphinamides via (-)-sparteine-mediated ortho-lithiation. Synthesis of P-chiral ligands.","Organic letters","2010","12","3","428","431","10.1021/ol902545q","","x-ray","1.54184","CuKα","","0.0445","0.0379","","","0.0967","0.1","","","","","","0.995","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503355","8.833","0.002","10.334","0.003","11.603","0.003","84.817","0.004","80.553","0.004","79.659","0.004","1025.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Br N O2 S2 -","- C21 H18 Br N O2 S2 -","- C42 H36 Br2 N2 O4 S4 -","2","1","","Li, Yifei; Xu, Xianxiu; Tan, Jing; Liao, Peiqiu; Zhang, Jingping; Liu, Qun","Polarity-reversible conjugate addition tuned by remote electronic effects","Organic Letters","2010","12","2","244","247","10.1021/ol902551m","","","0.71069","MoKα","","0.0757","0.0464","","","0.1102","0.1229","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503356","11.86","0.005","21.361","0.005","6.275","0.005","90","0.005","90","0.005","90","0.005","1589.7","1.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H17 N O3 S2 -","- C16 H17 N O3 S2 -","- C64 H68 N4 O12 S8 -","4","1","","Li, Yifei; Xu, Xianxiu; Tan, Jing; Liao, Peiqiu; Zhang, Jingping; Liu, Qun","Polarity-reversible conjugate addition tuned by remote electronic effects","Organic Letters","2010","12","2","244","247","10.1021/ol902551m","","","0.71069","MoKα","","0.0745","0.0524","","","0.111","0.1232","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503357","10.9558","0.0013","11.5826","0.0014","19.238","0.002","90.415","0.002","96.827","0.002","114.341","0.002","2204.2","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H47 N2 O5 S4 -","- C46 H41 N2 O5 S4 -","- C92 H82 N4 O10 S8 -","2","1","","Li, Yifei; Xu, Xianxiu; Tan, Jing; Liao, Peiqiu; Zhang, Jingping; Liu, Qun","Polarity-reversible conjugate addition tuned by remote electronic effects","Organic Letters","2010","12","2","244","247","10.1021/ol902551m","","","0.71073","MoKα","","0.2195","0.124","","","0.3313","0.3959","","","","","","1.118","","","","has coordinates","218672","2020-10-21","18:00:00",""
"1503358","12.4251","0.0013","8.0536","0.0009","41.671","0.005","90","","93.5629","0.0016","90","","4161.8","0.8","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br N3 O -","- C25 H22 Br N3 O -","- C200 H176 Br8 N24 O8 -","8","2","","Ye, Long; Haddadin, Makhluf J.; Lodewyk, Michael W.; Ferreira, Andrew J.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J.","Cyclopenta[b]pyrroles from triazines: synthetic and mechanistic studies.","Organic letters","2010","12","1","164","167","10.1021/ol902559u","","","0.71073","MoKα","","0.0378","0.0295","","","0.0636","0.0655","","","","","","1.111","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503359","12.4028","0.0011","20.9078","0.0019","8.134","0.0007","90","","96.3","0.0012","90","","2096.5","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br N3 O -","- C25 H22 Br N3 O -","- C100 H88 Br4 N12 O4 -","4","1","","Ye, Long; Haddadin, Makhluf J.; Lodewyk, Michael W.; Ferreira, Andrew J.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J.","Cyclopenta[b]pyrroles from triazines: synthetic and mechanistic studies.","Organic letters","2010","12","1","164","167","10.1021/ol902559u","","","0.71073","MoKα","","0.0598","0.0362","","","0.0821","0.0885","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503360","5.4666","0.0003","22.2114","0.0012","16.1329","0.0009","90","","97.696","0.001","90","","1941.23","0.18","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N4 O S -","- C24 H18 N4 O S -","- C96 H72 N16 O4 S4 -","4","1","","Ye, Long; Haddadin, Makhluf J.; Lodewyk, Michael W.; Ferreira, Andrew J.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J.","Cyclopenta[b]pyrroles from triazines: synthetic and mechanistic studies.","Organic letters","2010","12","1","164","167","10.1021/ol902559u","","","0.71073","MoKα","","0.055","0.0376","","","0.0801","0.0865","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503361","8.3396","0.0002","9.1524","0.0002","12.1045","0.0003","86.0787","0.0012","79.3543","0.0011","85.5743","0.0011","903.91","0.04","150","2","150","2","","","","","","","Didier Pintori","5","P -1","-P 1","2","","","","- C23 H16 I N O2 -","- C23 H16 I N O2 -","- C46 H32 I2 N2 O4 -","2","1","","Pintori, Didier G.; Greaney, Michael F.","Insertion of benzene rings into the amide bond: one-step synthesis of acridines and acridones from aryl amides.","Organic letters","2010","12","1","168","171","10.1021/ol902568x","","","0.71073","MoKα","","0.0458","0.0369","","","0.0762","0.0804","","","","","","1.077","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503362","12.4588","0.0002","9.2224","0.0002","24.7552","0.0005","90","","101.716","0.001","90","","2785.12","0.09","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Cl0 O2 -","- C20 H12 O2 -","- C160 H96 O16 -","8","2","","Sue, Daisuke; Kawabata, Takeo; Sasamori, Takahiro; Tokitoh, Nobuhiro; Tsubaki, Kazunori","Synthesis of spiro compounds through tandem oxidative coupling and a framework rearrangement reaction.","Organic letters","2010","12","2","256","258","10.1021/ol902571p","","","0.71069","MoKα","","0.0458","0.0365","","","0.0987","0.1052","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503363","10.23","0.0003","15.6383","0.0005","11.589","0.0003","90","","90.667","0.002","90","","1853.88","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 B F2 N6 -","- C18 H23 B F2 N6 -","- C72 H92 B4 F8 N24 -","4","1","","Vivat, Jérôme F; Adams, Harry; Harrity, Joseph P. A.","Ambient temperature nitrogen-directed difluoroalkynylborane Carboni-Lindsey cycloaddition reactions.","Organic letters","2010","12","1","160","163","10.1021/ol902573x","","","0.71073","MoKα","","0.0536","0.0395","","","0.1019","0.1112","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503364","13.8977","0.001","7.8695","0.0007","14.3962","0.001","90","","116.104","0.005","90","","1413.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 B F2 N5 -","- C15 H14 B F2 N5 -","- C60 H56 B4 F8 N20 -","4","1","","Vivat, Jérôme F; Adams, Harry; Harrity, Joseph P. A.","Ambient temperature nitrogen-directed difluoroalkynylborane Carboni-Lindsey cycloaddition reactions.","Organic letters","2010","12","1","160","163","10.1021/ol902573x","","","0.71073","MoKα","","0.0532","0.0413","","","0.1077","0.1156","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503365","7.2691","0.0001","8.1601","0.0001","14.8411","0.0002","90","","90","","90","","880.32","0.02","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Rodrigues, Alessandro; Lee, Ernest E.; Batey, Robert A.","Enantioselective palladium(II)-catalyzed formal [3,3]-sigmatropic rearrangement of 2-allyloxypyridines and related heterocycles.","Organic letters","2010","12","2","260","263","10.1021/ol9025759","","","1.54178","CuKα","","0.0273","0.0266","","","0.0716","0.0724","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503366","12.166","0.003","11.814","0.003","13.814","0.003","90","","106.863","0.005","90","","1900.1","0.8","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H24 O5 -","- C22 H24 O5 -","- C88 H96 O20 -","4","2","","Bow, William F.; Basak, Ashok K.; Jolit, Anais; Vicic, David A.; Tius, Marcus A.","Enamine-iminium ion Nazarov cyclization of alpha-ketoenones.","Organic letters","2010","12","3","440","443","10.1021/ol9025765","","","0.71075","MoKα","","0.0474","0.0399","","","0.0827","0.0857","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503367","6.916","0.002","12.246","0.004","26.475","0.008","90","","90","","90","","2242.3","1.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 O5 -","- C24 H28 O5 -","- C96 H112 O20 -","4","1","","Bow, William F.; Basak, Ashok K.; Jolit, Anais; Vicic, David A.; Tius, Marcus A.","Enamine-iminium ion Nazarov cyclization of alpha-ketoenones.","Organic letters","2010","12","3","440","443","10.1021/ol9025765","","","0.71075","MoKα","","0.212","0.0964","","","0.1207","0.1455","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503368","9.2436","0.0017","15.171","0.003","24.757","0.005","90","","90","","90","","3471.8","1.2","150","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H56 Cl2 O2 Rh2 -","- C34 H56 Cl2 O2 Rh2 -","- C136 H224 Cl8 O8 Rh8 -","4","1","","Brown, M. Kevin; Corey, E. J.","Catalytic enantioselective formation of chiral-bridged dienes which are themselves ligands for enantioselective catalysis.","Organic letters","2010","12","1","172","175","10.1021/ol9025793","","","0.71073","MoKα","","0.0529","0.0413","","","0.0875","0.0935","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503369","12.9084","0.0008","12.9205","0.0008","38.481","0.002","91.985","0.001","97.364","0.001","91.075","0.001","6359.5","0.6","294","2","294","2","","","","","","","","6","P -1","-P 1","2","compd-3","","","- C48 H42 Cl6 O2 S12 Si4 -","- C48 H42 Cl6 O2 S12 Si4 -","- C192 H168 Cl24 O8 S48 Si16 -","4","2","","Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua","Syntheses and crystal structures of benzohexathia[7]helicene and naphthalene cored double helicene.","Organic letters","2010","12","3","456","459","10.1021/ol902613g","","","0.71073","MoKα","","0.1087","0.0795","","","0.2297","0.2594","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503370","8.9624","0.0008","19.1122","0.0018","31.228","0.003","90","","90","","90","","5349.1","0.9","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","compd-1","","","- C24 H22 S6 Si2 -","- C24 H22 S6 Si2 -","- C192 H176 S48 Si16 -","8","1","","Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua","Syntheses and crystal structures of benzohexathia[7]helicene and naphthalene cored double helicene.","Organic letters","2010","12","3","456","459","10.1021/ol902613g","","","0.71073","MoKα","","0.0589","0.0411","","","0.0875","0.0972","","","","","","1.03","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503371","8.5149","0.0014","10.6494","0.0017","16.51","0.003","74.37","0.002","89.326","0.002","69.807","0.002","1347.6","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","compd-1-p","","","- C24 H22 S6 Si2 -","- C24 H22 S6 Si2 -","- C48 H44 S12 Si4 -","2","1","","Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua","Syntheses and crystal structures of benzohexathia[7]helicene and naphthalene cored double helicene.","Organic letters","2010","12","3","456","459","10.1021/ol902613g","","","0.71073","MoKα","","0.0634","0.0444","","","0.1073","0.1197","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503372","16.816","0.003","16.811","0.003","38.298","0.007","90","","90","","90","","10827","3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compd-2","","","- C46 H40 S12 Si4 -","- C46 H40 S12 Si4 -","- C368 H320 S96 Si32 -","8","2","","Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua","Syntheses and Crystal Structures of Benzohexathia[7]helicene and Naphthalene Cored Double Helicene","Organic Letters","2010","12","3","456","459","10.1021/ol902613g","","","0.71073","MoKα","","0.0774","0.0459","","","0.1172","0.1439","","","","","","0.886","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503373","37.99","0.03","17.583","0.013","10.968","0.008","90","","102.348","0.018","90","","7157","9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","compd-5","","","- C24 H22 O3.5 S6 Si2 -","- C24 H22 O3.5 S6 Si2 -","- C192 H176 O28 S48 Si16 -","8","1","","Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua","Syntheses and crystal structures of benzohexathia[7]helicene and naphthalene cored double helicene.","Organic letters","2010","12","3","456","459","10.1021/ol902613g","","","0.71073","MoKα","","0.1538","0.0791","","","0.1978","0.2227","","","","","","1.023","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503374","15.923","0.002","15.923","0.002","18.741","0.003","90","","90","","120","","4115","1","288","2","288","2","","","","","","","","6","P 63","P 6c","173","toste06","toste06","","- C93 H81 Au Cl O9 P -","- C93 H81 Au Cl O9 P -","- C186 H162 Au2 Cl2 O18 P2 -","2","0.333333","","González, Ana Z; Toste, F. Dean","Gold(I)-catalyzed enantioselective [4 + 2]-cycloaddition of allene-dienes.","Organic letters","2010","12","1","200","203","10.1021/ol902622b","","","0.71073","MoKα","","0.0703","0.0498","","","0.1447","0.1626","","","","","","1.033","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1503375","13.018","0.0004","17.4743","0.0007","25.6126","0.001","90","","90","","90","","5826.4","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","AG03-p34","toste16","","- C69 H48 Au Cl3 N O2 P -","- C69 H48 Au Cl3 N O2 P -","- C276 H192 Au4 Cl12 N4 O8 P4 -","4","1","","González, Ana Z; Toste, F. Dean","Gold(I)-catalyzed enantioselective [4 + 2]-cycloaddition of allene-dienes.","Organic letters","2010","12","1","200","203","10.1021/ol902622b","","","1.54178","CuKα","","0.0525","0.0404","","","0.0829","0.0871","","","","","","1.017","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1503376","7.3489","0.0009","15.339","0.002","9.154","0.001","90","","98.337","0.003","90","","1021","0.2","163.2","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H18 Au Cl N O2 P -","- C22 H18 Au Cl N O2 P -","- C44 H36 Au2 Cl2 N2 O4 P2 -","2","1","","González, Ana Z; Toste, F. Dean","Gold(I)-catalyzed enantioselective [4 + 2]-cycloaddition of allene-dienes.","Organic letters","2010","12","1","200","203","10.1021/ol902622b","","","0.7107","MoKα","","","0.0364","","","","0.0354","","","","","","1.136","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503377","7.0652","0.0011","20.188","0.003","21.214","0.003","90","","90","","90","","3025.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C152 H104 N24 O8 -","8","1","","Zhao, Tiankun; Xu, Bin","Palladium-catalyzed tandem amination reaction for the synthesis of 4-quinolones.","Organic letters","2010","12","2","212","215","10.1021/ol902626d","","","0.71073","MoKα","","0.0667","0.042","","","0.0925","0.1049","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503378","35.9751","0.0006","11.4216","0.0002","13.04","0.0002","90","","102.239","0.001","90","","5236.27","0.15","120","2","120","2","","","","","","","Vincent Voucher","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H36 Br O5 P -","- C25 H36 Br O5 P -","- C200 H288 Br8 O40 P8 -","8","1","","Foucher, Vincent; Guizzardi, Benedetta; Groen, Marinus B.; Light, Mark; Linclau, Bruno","A novel, versatile D–>BCD steroid construction strategy, illustrated by the enantioselective total synthesis of estrone.","Organic letters","2010","12","4","680","683","10.1021/ol902638w","","","0.71073","MoKα","","0.1068","0.0875","","","0.1519","0.1587","","","","","","3.145","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503379","24.029","0.003","24.029","0.003","11.095","0.002","90","","90","","90","","6406.2","1.6","163","2","163","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C37.25 H30.5 Cl2.5 F2 S Si -","- C37.25 H30.5 Cl2.5 F2 S Si -","- C298 H244 Cl20 F16 S8 Si8 -","8","1","","Kim, Youngmin; Kim, Mieock; Gabbaï, François P","Synthesis and anion affinity of a bidendate sulfonium fluorosilane Lewis acid.","Organic letters","2010","12","3","600","602","10.1021/ol902641v","","","0.71073","MoKα","","0.1032","0.0649","","","0.1359","0.1703","","","","","","1.001","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503380","6.6993","0.0002","8.1796","0.0002","13.0249","0.0004","76.378","0.001","78.068","0.001","80.066","0.002","672.89","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C15 H12 N2 O6 -","- C15 H12 N2 O6 -","- C30 H24 N4 O12 -","2","1","","Vanier, Sébastien F; Larouche, Guillaume; Wurz, Ryan P.; Charette, André B","Formal synthesis of belactosin A and hormaomycin via a diastereoselective intramolecular cyclopropanation of an alpha-nitro diazoester.","Organic letters","2010","12","4","672","675","10.1021/ol9026528","","","1.54178","CuKα","","0.0604","0.0353","","","0.0753","0.0815","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503381","14.9683","0.0005","11.3211","0.0004","8.1328","0.0003","90","","96.892","0.002","90","","1368.21","0.08","203","2","203","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O6 -","- C15 H12 N2 O6 -","- C60 H48 N8 O24 -","4","1","","Vanier, Sébastien F; Larouche, Guillaume; Wurz, Ryan P.; Charette, André B","Formal synthesis of belactosin A and hormaomycin via a diastereoselective intramolecular cyclopropanation of an alpha-nitro diazoester.","Organic letters","2010","12","4","672","675","10.1021/ol9026528","","","1.54178","CuKα","","0.0632","0.0455","","","0.1398","0.1501","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503382","15.0235","0.0006","7.429","0.0003","15.0658","0.0005","90","","97.107","0.002","90","","1668.57","0.11","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N2 O4 -","- C7 H10 N2 O4 -","- C56 H80 N16 O32 -","8","2","","Vanier, Sébastien F; Larouche, Guillaume; Wurz, Ryan P.; Charette, André B","Formal synthesis of belactosin A and hormaomycin via a diastereoselective intramolecular cyclopropanation of an alpha-nitro diazoester.","Organic letters","2010","12","4","672","675","10.1021/ol9026528","","","1.54178","CuKα","","0.038","0.0374","","","0.0994","0.0999","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503383","22.9778","0.0019","21.9054","0.0018","26.306","0.002","90","","90","","90","","13240.8","1.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C118 H166 F30 N14 O20 -","- C118 H166 F30 N14 O20 -","- C472 H664 F120 N56 O80 -","4","0.5","","Arunachalam, M.; Ghosh, Pradyut","Bistripodand amide host for compartmental recognition of multiple oxyanions.","Organic letters","2010","12","2","328","331","10.1021/ol9026649","","","0.71073","MoKα","","0.0872","0.0608","","","0.1507","0.1701","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503384","13.2436","0.0019","13.671","0.0019","14.757","0.002","92.621","0.004","111.618","0.004","103.739","0.004","2386.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H96 F30 N8 O10 -","- C90 H96 F30 N8 O10 -","- C90 H96 F30 N8 O10 -","1","0.5","","Arunachalam, M.; Ghosh, Pradyut","Bistripodand amide host for compartmental recognition of multiple oxyanions.","Organic letters","2010","12","2","328","331","10.1021/ol9026649","","","0.71073","MoKα","","0.1055","0.0516","","","0.1118","0.135","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503385","5.352","0.009","7.214","0.011","35.96","0.06","90","","90.798","0.017","90","","1388","4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 S8 -","- C28 H22 S8 -","- C56 H44 S16 -","2","0.5","","Chen, Guang; Mahmud, Ilias; Dawe, Louise N.; Zhao, Yuming","Acetylenic phenyldithiafulvene: a versatile synthon for TTFV-based macromolecules.","Organic letters","2010","12","4","704","707","10.1021/ol9026683","","","0.71075","MoKα","","0.1218","0.1143","","","0.3427","0.359","","","","","","1.511","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503386","10.095","0.002","10.465","0.002","17.655","0.004","85.03","0.03","76.92","0.03","66.43","0.03","1665.2","0.7","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C79 H83 P2 -","- C79 H83 P2 -","- C79 H83 P2 -","1","0.5","","Geng, Xue-Li; Hu, Qi; Schäfer, Bernhard; Ott, Sascha","Phosphaalkenes in pi-conjugation with acetylenic arenes.","Organic letters","2010","12","4","692","695","10.1021/ol902688n","","","0.71073","MoKα","","0.0684","0.0517","","","0.1281","0.1398","","","","","","1.087","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503387","11.495","0.005","15.474","0.007","9.384","0.004","90","","99.403","0.006","90","","1646.7","1.2","100","","373","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Tucker, Joseph W.; Narayanam, Jagan M. R.; Krabbe, Scott W.; Stephenson, Corey R. J.","Electron transfer photoredox catalysis: intramolecular radical addition to indoles and pyrroles.","Organic letters","2010","12","2","368","371","10.1021/ol902703k","","","0.71073","MoKα","","0.0889","0.0594","","","0.1738","0.1947","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503388","5.9972","0.0006","15.79","0.0017","16.6013","0.0017","90","","95.271","0.002","90","","1565.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C72 H68 N4 O8 S4 -","4","1","","Zhu, Ben-Hu; Zheng, Jun-Cheng; Yu, Chang-Bin; Sun, Xiu-Li; Zhou, Yong-Gui; Shen, Qi; Tang, Yong","One-pot highly diastereoselective synthesis of cis-vinylaziridines via the sulfur ylide-mediated aziridination and palladium(0)-catalyzed isomerization.","Organic letters","2010","12","3","504","507","10.1021/ol9027072","","","0.71073","MoKα","","0.0629","0.0523","","","0.1365","0.143","","","","","","0.996","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503389","10.1431","0.001","10.1431","0.001","17.8259","0.0019","90","","90","","120","","1588.3","0.3","173","1","173","1","","","","","","","","3","P 32","P 32","145","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C75 H96 O12 -","3","1","","Caron, Pierre-Yves; Deslongchamps, Pierre","Versatile strategy to access tricycles related to quassinoids and triterpenes.","Organic letters","2010","12","3","508","511","10.1021/ol902711b","","x-ray","0.71073","MoKα","","0.032","0.0289","","","0.0738","0.0779","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503390","15.457","0.003","9.311","0.002","15.892","0.003","90","","110.108","0.013","90","","2147.8","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C100 H116 N4 O12 -","4","1","","Caron, Pierre-Yves; Deslongchamps, Pierre","Versatile strategy to access tricycles related to quassinoids and triterpenes.","Organic letters","2010","12","3","508","511","10.1021/ol902711b","","","1.54176","CuKα","","0.0954","0.0756","","","0.1855","0.2075","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503391","11.5889","0.0005","21.2681","0.0009","12.6708","0.0006","90","","90","","90","","3123","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","2","P n a 21","P 2c -2n","33","1-(3-Ethynylphenyl)-2,3,4,5,6-pentaphenylbenzene","1-(3-Ethynylphenyl)-2,3,4,5,6-pentaphenylbenzene","","- C44 H30 -","- C44 H30 -","- C176 H120 -","4","1","","Gagnon, Eric; Rochefort, Alain; Métivaud, Valérie; Wuest, James D.","Hexaphenylbenzenes as potential acetylene sponges.","Organic letters","2010","12","2","380","383","10.1021/ol902723q","","","1.54178","CuKα","","0.0518","0.0479","","","0.136","0.1406","","","","","","1.094","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503392","11.9507","0.0006","12.462","0.0006","13.2343","0.0007","91.379","0.002","98.081","0.002","95.229","0.002","1941.93","0.17","150","","150","","","","","","","","Synthesized by the authors. See text","2","P -1","-P 1","2","1-(3,5-Diethynylphenyl)-2,3,4,5,6-pentaphenylbenzene solvate","1-(3,5-Diethynylphenyl)-2,3,4,5,6-pentaphenylbenzene, toluene solvate","","- C53 H38 -","- C53 H38 -","- C106 H76 -","2","1","","Gagnon, Eric; Rochefort, Alain; Métivaud, Valérie; Wuest, James D.","Hexaphenylbenzenes as potential acetylene sponges.","Organic letters","2010","12","2","380","383","10.1021/ol902723q","","","1.54178","CuKα","","0.046","0.0435","","","0.1174","0.1203","","","","","","1.036","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503393","12.3608","0.0007","45.744","0.003","11.5273","0.0007","90","","100.85","0.002","90","","6401.4","0.7","150","","150","","","","","","","","Synthesized by the authors. See text","2","C 1 c 1","C -2yc","9","Hexaphenylbenzene, phenylacetylene solvate","Hexaphenylbenzene, phenylacetylene solvate","","- C92 H66 -","- C92 H66 -","- C368 H264 -","4","1","","Gagnon, Eric; Rochefort, Alain; Métivaud, Valérie; Wuest, James D.","Hexaphenylbenzenes as potential acetylene sponges.","Organic letters","2010","12","2","380","383","10.1021/ol902723q","","","1.54178","CuKα","","0.0315","0.0312","","","0.0851","0.0854","","","","","","1.094","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503394","6.927","0.0014","9.783","0.002","12.619","0.003","88.48","0.03","89.77","0.03","75.68","0.03","828.3","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C34 H38 N2 O12 -","2","1","","Xu, Silong; Zhou, Lili; Ma, Renqin; Song, Haibin; He, Zhengjie","Phosphine-mediated stereoselective reductive cyclopropanation of alpha-substituted allenoates with aromatic aldehydes.","Organic letters","2010","12","3","544","547","10.1021/ol902747c","","","0.71073","MoKα","","0.0963","0.0603","","","0.1289","0.148","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503395","10.852","0.002","12.744","0.003","10.025","0.002","90","","90.14","0.03","90","","1386.4","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C60 H56 N8 O16 -","4","1","","Xu, Silong; Zhou, Lili; Ma, Renqin; Song, Haibin; He, Zhengjie","Phosphine-mediated stereoselective reductive cyclopropanation of alpha-substituted allenoates with aromatic aldehydes.","Organic letters","2010","12","3","544","547","10.1021/ol902747c","","","0.71073","MoKα","","0.0702","0.0575","","","0.1859","0.1955","","","","","","1.18","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503396","11.632","0.002","11.974","0.002","20.206","0.004","86.16","0.03","87.59","0.03","64.59","0.03","2536.1","1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C57.5 H63 Cl2.5 O5 -","- C57.5 H63 Cl2.5 O5 -","- C115 H126 Cl5 O10 -","2","1","","Tian, Xiao-Hong; Chen, Chuan-Feng","Synthesis, structures, and conformational characteristics of triptycene-derived calix[5]arenes.","Organic letters","2010","12","3","524","527","10.1021/ol902758g","","","0.71073","MoKα","","0.1117","0.076","","","0.2129","0.241","","","","","","1.027","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503397","13.746","0.003","16.676","0.003","24.705","0.005","90","","90.44","0.03","90","","5663","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H54 Cl6 O6 -","- C65 H54 Cl6 O6 -","- C260 H216 Cl24 O24 -","4","1","","Tian, Xiao-Hong; Chen, Chuan-Feng","Synthesis, structures, and conformational characteristics of triptycene-derived calix[5]arenes.","Organic letters","2010","12","3","524","527","10.1021/ol902758g","","","0.71073","MoKα","","0.1337","0.122","","","0.2673","0.2768","","","","","","1.239","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503398","7.5838","0.0001","17.6558","0.0006","9.6242","0.0003","90","","98.371","0.002","90","","1274.93","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Redondo, María C; Ribagorda, María; Carreño, M Carmen","Exploring Morita-Baylis-Hillman reactions of p-quinols.","Organic letters","2010","12","3","568","571","10.1021/ol902763g","","","1.54178","CuKα","","0.0366","0.0337","","","0.0888","0.0912","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503399","6.9945","0.0003","8.7663","0.0006","10.623","0.0006","101.662","0.003","98.586","0.003","91.319","0.003","629.81","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C28 H26 N2 O10 -","2","1","","Redondo, María C; Ribagorda, María; Carreño, M Carmen","Exploring Morita-Baylis-Hillman reactions of p-quinols.","Organic letters","2010","12","3","568","571","10.1021/ol902763g","","","0.71073","MoKα","","0.0588","0.0392","","","0.0964","0.1082","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503400","9.7173","0.0001","10.0311","0.0001","10.2086","0.0001","87.683","0.001","80.246","0.001","86.487","0.001","978.401","0.017","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O4 -","- C23 H18 N2 O4 -","- C46 H36 N4 O8 -","2","1","","Redondo, María C; Ribagorda, María; Carreño, M Carmen","Exploring Morita-Baylis-Hillman reactions of p-quinols.","Organic letters","2010","12","3","568","571","10.1021/ol902763g","","","1.54178","CuKα","","0.0569","0.0556","","","0.1466","0.1479","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503401","8.333","0.0006","22.7385","0.0015","10.352","0.0007","90","","105.193","0.004","90","","1892.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N2 O4 -","- C23 H18 N2 O4 -","- C92 H72 N8 O16 -","4","1","","Redondo, María C; Ribagorda, María; Carreño, M Carmen","Exploring Morita-Baylis-Hillman reactions of p-quinols.","Organic letters","2010","12","3","568","571","10.1021/ol902763g","","","0.71073","MoKα","","0.0532","0.0435","","","0.1214","0.1322","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503402","8.2755","0.001","10.0421","0.0013","13.439","0.0018","68.779","0.007","88.397","0.007","82.032","0.007","1030.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 Cl2 N O6 -","- C21 H21 Cl2 N O6 -","- C42 H42 Cl4 N2 O12 -","2","1","","Liang, Bo; Kalidindi, Srinivas; Porco, Jr, John A; Stephenson, Corey R. J.","Multicomponent reaction discovery: three-component synthesis of spirooxindoles.","Organic letters","2010","12","3","572","575","10.1021/ol902764k","","","0.71073","MoKα","","0.0555","0.0433","","","0.117","0.1242","","","","","","1.095","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503403","9.1725","0.0004","9.2077","0.0004","9.964","0.0004","98.295","0.002","101.709","0.002","106.97","0.002","769.31","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N O6 S -","- C16 H17 N O6 S -","- C32 H34 N2 O12 S2 -","2","1","","Liang, Bo; Kalidindi, Srinivas; Porco, Jr, John A; Stephenson, Corey R. J.","Multicomponent reaction discovery: three-component synthesis of spirooxindoles.","Organic letters","2010","12","3","572","575","10.1021/ol902764k","","","0.71073","MoKα","","0.0455","0.0369","","","0.0951","0.1006","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503404","8.95","0.003","14.718","0.003","15.388","0.004","102.52","0.02","92.08","0.03","105.12","0.02","1901","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","2","","Bélanger, Guillaume; Darsigny, Véronique; Doré, Michaël; Lévesque, François","Highly diastereoselective synthesis of substituted pyrrolidines using a sequence of azomethine ylide cycloaddition and nucleophilic cyclization.","Organic letters","2010","12","7","1396","1399","10.1021/ol902767b","","","1.54176","CuKα","","0.2189","0.0845","","","0.2134","0.2744","","","","","","0.912","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503405","13.395","0.004","7.347","0.003","17.061","0.012","90","","92.33","0.04","90","","1677.6","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Br N2 O2 -","- C18 H19 Br N2 O2 -","- C72 H76 Br4 N8 O8 -","4","1","","Bélanger, Guillaume; Darsigny, Véronique; Doré, Michaël; Lévesque, François","Highly diastereoselective synthesis of substituted pyrrolidines using a sequence of azomethine ylide cycloaddition and nucleophilic cyclization.","Organic letters","2010","12","7","1396","1399","10.1021/ol902767b","","","1.54176","CuKα","","0.0943","0.0643","","","0.1793","0.1995","","","","","","1.107","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503406","8.4937","0.0005","13.0651","0.0008","15.3562","0.0009","90","","90","","90","","1704.09","0.18","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Chen, Cheng-Hui; Chen, Yu-Kai; Sha, Chin-Kang","Enantioselective total synthesis of otteliones A and B.","Organic letters","2010","12","7","1377","1379","10.1021/ol902776d","","","0.71073","MoKα","","0.0713","0.0433","","","0.0981","0.1123","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503407","8.6362","0.0002","9.5751","0.0002","30.8559","0.0006","90","","90","","90","","2551.55","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H35 I O2 Si2 -","- C19 H35 I O2 Si2 -","- C76 H140 I4 O8 Si8 -","4","1","","Chen, Cheng-Hui; Chen, Yu-Kai; Sha, Chin-Kang","Enantioselective total synthesis of otteliones A and B.","Organic letters","2010","12","7","1377","1379","10.1021/ol902776d","","","0.71073","MoKα","","0.0197","0.0178","","","0.0478","0.0579","","","","","","1.193","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503408","6.9488","0.0003","12.9267","0.0009","21.5644","0.0012","90","","90","","90","","1937.02","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O3 S -","- C22 H26 O3 S -","- C88 H104 O12 S4 -","4","1","","Lecea, Mercedes; Hernández-Torres, Gloria; Urbano, Antonio; Carreño, M Carmen; Colobert, Françoise","Enantioselective total synthesis of the natural gamma-tocopherol metabolite (S)-gamma-CEHC [(S)-LLU-alpha].","Organic letters","2010","12","3","580","583","10.1021/ol9027804","","","0.71073","MoKα","","0.0401","0.0385","","","0.0998","0.1013","","","","","","1.088","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503409","8.3291","0.0009","13.3826","0.0014","15.8367","0.0017","90","","100.341","0.002","90","","1736.6","0.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Yao, Wei; Huang, Dejian","Unexpected reactivity of o-nitrosophenol with RCH(2)Br: C-H bond cleavage and annulation to benzoxazoles and benzoxazines (R = Alkynyl).","Organic letters","2010","12","4","736","738","10.1021/ol902812q","","","0.71073","MoKα","","0.0655","0.0537","","","0.1663","0.1763","","","","","","1.102","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503410","10.0799","0.0016","11.8568","0.0018","18.339","0.003","87.936","0.003","87.083","0.003","87.037","0.003","2184.8","0.6","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N4 O3 -","- C24 H30 N4 O3 -","- C96 H120 N16 O12 -","4","2","","Yao, Wei; Huang, Dejian","Unexpected reactivity of o-nitrosophenol with RCH(2)Br: C-H bond cleavage and annulation to benzoxazoles and benzoxazines (R = Alkynyl).","Organic letters","2010","12","4","736","738","10.1021/ol902812q","","","0.71073","MoKα","","0.1391","0.0859","","","0.185","0.209","","","","","","1.081","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503411","7.1436","0.0015","9.869","0.002","20.461","0.004","90","","90","","90","","1442.5","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","09103a","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","1","","Hayashi, Ryuji; Feltenberger, John B.; Hsung, Richard P.","Torquoselective ring closures of chiral amido trienes derived from allenamides. A tandem allene isomerization-pericyclic ring-closure-intramolecular Diels-Alder cycloaddition.","Organic letters","2010","12","6","1152","1155","10.1021/ol902821w","","","0.71073","MoKα","","0.0465","0.033","","","0.0762","0.0849","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503412","6.3398","0.0007","10.8464","0.0013","34.702","0.004","90","","90","","90","","2386.2","0.5","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","09166a","","","- C27 H30 N2 O4 S -","- C27 H30 N2 O4 S -","- C108 H120 N8 O16 S4 -","4","1","","Hayashi, Ryuji; Feltenberger, John B.; Hsung, Richard P.","Torquoselective ring closures of chiral amido trienes derived from allenamides. A tandem allene isomerization-pericyclic ring-closure-intramolecular Diels-Alder cycloaddition.","Organic letters","2010","12","6","1152","1155","10.1021/ol902821w","","","0.71073","MoKα","","0.0587","0.0404","","","0.0857","0.0945","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503413","5.857","0.003","19.125","0.01","16.336","0.009","90","","90.26","0.01","90","","1829.9","1.7","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","2","","Grenning, Alexander J.; Tunge, Jon A.","Rapid decarboxylative allylation of nitroalkanes.","Organic letters","2010","12","4","740","742","10.1021/ol902828p","","","0.71073","MoKα","","0.1024","0.0866","","","0.1864","0.1968","","","","","","1.092","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503414","10.7996","0.0006","11.8516","0.0007","17.5643","0.001","90","","90","","90","","2248.1","0.2","298","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Br2 N O4 -","- C26 H19 Br2 N O4 -","- C104 H76 Br8 N4 O16 -","4","1","","Hong, Bor-Cherng; Kotame, Prakash; Tsai, Chih-Wei; Liao, Ju-Hsiou","Enantioselective total synthesis of (+)-conicol via cascade three-component organocatalysis.","Organic letters","2010","12","4","776","779","10.1021/ol902840x","","","0.71073","MoKα","","0.107","0.0656","","","0.1029","0.1155","","","","","","1.082","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503415","18.5358","0.0018","18.5358","0.0018","10.8967","0.0015","90","","90","","120","","3242.3","0.6","295","2","295","2","","","","","","","","5","P 61","P 61","169","","","","- C22 H20 Br N O4 -","- C22 H20 Br N O4 -","- C132 H120 Br6 N6 O24 -","6","1","","Hong, Bor-Cherng; Kotame, Prakash; Tsai, Chih-Wei; Liao, Ju-Hsiou","Enantioselective total synthesis of (+)-conicol via cascade three-component organocatalysis.","Organic letters","2010","12","4","776","779","10.1021/ol902840x","","","0.71073","MoKα","","0.0938","0.0528","","","0.1005","0.1137","","","","","","0.939","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503416","13.474","0.003","13.507","0.003","14.013","0.003","103.97","0.03","99.34","0.03","118.61","0.03","2053.8","1.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","Dibenzo-24-crown-8-Based Cryptand/Paraquat [2]Catenane","","- C77 H81 F24 N9 O12 P4 -","- C77 H81 F24 N9 O12 P4 -","- C77 H81 F24 N9 O12 P4 -","1","1","","Liu, Ming; Li, Shijun; Hu, Menglong; Wang, Feng; Huang, Feihe","Selectivity algorithm for the formation of two cryptand/paraquat catenanes.","Organic letters","2010","12","4","760","763","10.1021/ol9028463","","","0.71073","MoKα","","0.109","0.0689","","","0.1095","0.1228","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503417","26.682","0.005","16.661","0.003","21.761","0.004","90","","106.66","0.03","90","","9268","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(m-phenylene)-26-crown-8-Based Cryptand/Paraquat [2]Catenane","","- C83 H90 F24 N12 O13 P4 -","- C83 H90 F24 N12 O13 P4 -","- C332 H360 F96 N48 O52 P16 -","4","1","","Liu, Ming; Li, Shijun; Hu, Menglong; Wang, Feng; Huang, Feihe","Selectivity algorithm for the formation of two cryptand/paraquat catenanes.","Organic letters","2010","12","4","760","763","10.1021/ol9028463","","","0.71073","MoKα","","0.1329","0.0989","","","0.2633","0.2988","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503418","10.2696","0.0003","12.6091","0.0003","17.8108","0.0005","90","","90","","90","","2306.33","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H40 O3 Si -","- C21 H40 O3 Si -","- C84 H160 O12 Si4 -","4","1","","Schöttner, Elisabeth; Wiechoczek, Maren; Jones, Peter G.; Lindel, Thomas","Enantiospecific synthesis of the cubitane skeleton.","Organic letters","2010","12","4","784","787","10.1021/ol902854t","","","1.54184","CuKα","","0.0258","0.0256","","","0.0687","0.0688","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503419","24.0276","0.0008","15.7652","0.0005","6.8485","0.0003","90","","90","","90","","2594.21","0.16","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H46 O2 Si -","- C26 H46 O2 Si -","- C104 H184 O8 Si4 -","4","1","","Schöttner, Elisabeth; Wiechoczek, Maren; Jones, Peter G.; Lindel, Thomas","Enantiospecific synthesis of the cubitane skeleton.","Organic letters","2010","12","4","784","787","10.1021/ol902854t","","","1.54184","CuKα","","0.0393","0.0364","","","0.0958","0.0976","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503420","9.62","0.003","12.162","0.003","16.18","0.004","90","","100.708","0.003","90","","1860.1","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O S2 -","- C23 H20 O S2 -","- C92 H80 O4 S8 -","4","1","","Qin, Qian; Mague, Joel T.; Pascal, Jr, Robert A","An in-ketocyclophane.","Organic letters","2010","12","5","928","930","10.1021/ol9028572","","","0.71073","MoKα","","0.0896","0.0684","","","0.1689","0.1829","","","","","","1.1","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503421","20.0117","0.0015","10.0091","0.0009","10.6634","0.0009","90","","115.921","0.002","90","","1921","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 O5 S2 -","- C23 H20 O5 S2 -","- C92 H80 O20 S8 -","4","0.5","","Qin, Qian; Mague, Joel T.; Pascal, Jr, Robert A","An in-ketocyclophane.","Organic letters","2010","12","5","928","930","10.1021/ol9028572","","","0.71073","MoKα","","0.0482","0.0408","","","0.109","0.1149","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503422","25.455","0.001","11.706","0.001","15.9","0.001","90","","108.646","0.003","90","","4489.1","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-(cyclohexylamino)-4-[(2,2-dimethoxy-2-phenyethyl)amino]-1H-iso chromen-1-one","","- C25 H30 N2 O4 -","- C25 H30 N2 O4 -","- C200 H240 N16 O32 -","8","1","","Faggi, Cristina; García-Valverde, María; Marcaccini, Stefano; Menchi, Gloria","Isolation of ugi four-component condensation primary adducts: a straightforward route to isocoumarins.","Organic letters","2010","12","4","788","791","10.1021/ol9028622","","x-ray","1.54178","CuKα","","0.111","0.0409","","","0.0838","0.0959","","","","","","0.85","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503423","16.221","0.003","6.3082","0.0013","18.484","0.004","90","","106.31","0.03","90","","1815.3","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 F3 N O2 S -","- C19 H18 F3 N O2 S -","- C76 H72 F12 N4 O8 S4 -","4","1","","Ye, Siyu; Yu, Zhi-Xiang","Gold(I)-catalyzed ring expansions of unactivated alkynylcyclopropanes to (e)-2-alkylidenecyclobutanamines in the presence of sulfonamides.","Organic letters","2010","12","4","804","807","10.1021/ol9028786","","","0.71073","MoKα","","0.0552","0.0513","","","0.1118","0.1141","","","","","","1.146","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503424","9.911","","10.101","","11.103","","68.09","","70.35","","68.86","","935.354","","293","2","293","2","","","","","","","","3","P -1","-P 1","2","phenylfuran","5-benzyl-2-(4'-methoxyphenyl)-3-phenylfuran","","- C24 H20 O2 -","- C24 H20 O2 -","- C48 H40 O4 -","2","1","","Schneider, Caroline C.; Caldeira, Helton; Gay, Bibiana M.; Back, Davi F.; Zeni, Gilson","Transmetalation of Z-telluroenynes: stereoselective synthesis of Z-enynols and their application in palladium-catalyzed cyclization.","Organic letters","2010","12","5","936","939","10.1021/ol902896x","","","0.71073","MoKα","","0.1364","0.0554","","","0.1304","0.1624","","","","","","0.916","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503425","14.9632","0.0011","18.7349","0.0015","6.3505","0.0004","90","","90","","90","","1780.3","0.2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","dihydrofuran","(E)-5-benzylidene-2-isobutyl-2-methyl-3-phenyl-2,5-dihydrofuran","","- C22 H24 O -","- C22 H24 O -","- C88 H96 O4 -","4","1","","Schneider, Caroline C.; Caldeira, Helton; Gay, Bibiana M.; Back, Davi F.; Zeni, Gilson","Transmetalation of Z-telluroenynes: stereoselective synthesis of Z-enynols and their application in palladium-catalyzed cyclization.","Organic letters","2010","12","5","936","939","10.1021/ol902896x","","","0.71073","MoKα","","0.1299","0.0547","","","0.1183","0.1519","","","","","","0.943","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503426","10.4253","0.0003","12.8475","0.0004","19.086","0.0006","78.59","0.002","86.532","0.002","88.841","0.002","2501.16","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Br N2 O4 S -","- C26 H25 Br N2 O4 S -","- C104 H100 Br4 N8 O16 S4 -","4","2","","Liu, Xiaodong; Deng, Leijiao; Jiang, Xianxing; Yan, Wenjin; Liu, Chunliang; Wang, Rui","Asymmetric Aza-Mannich Addition of Oxazolones to N-Tosyl Aldimines: Synthesis of Chiral α-Disubstituted α,β-Diamino Acids","Organic letters","2010","12","4","876","879","10.1021/ol902916s","","","0.71073","MoKα","","0.1229","0.0534","","","0.1142","0.1443","","","","","","0.997","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503427","17.276","0.005","17.432","0.005","18.466","0.005","90","","91.919","0.013","90","","5558","3","200.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C56.3 H46.3 Cl3.9 F12 N3 P2 -","- C56.15 H46.15 Cl3.375 F12 N3 P2 -","- C224.6 H184.6 Cl13.5 F48 N12 P8 -","4","1","","Matsumoto, Kouzou; Inokuchi, Daisuke; Hirao, Yasukazu; Kurata, Hiroyuki; Sato, Kazunobu; Takui, Takeji; Kubo, Takashi","Synthesis and identification of a trimethylenemethane derivative pi-extended with three pyridinyl radicals.","Organic letters","2010","12","4","836","839","10.1021/ol902937k","","","0.71075","MoKα","","","0.0975","","","","0.3416","","","","","","1.305","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503428","14.1471","0.0016","9.6689","0.0011","15.6438","0.0017","90","","101.356","0.002","90","","2098","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H40 Cl2 N4 O4 -","- C49 H40 Cl2 N4 O4 -","- C98 H80 Cl4 N8 O8 -","2","0.5","","Dogutan, Dilek K.; Bediako, D. Kwabena; Teets, Thomas S.; Schwalbe, Matthias; Nocera, Daniel G.","Efficient synthesis of hangman porphyrins.","Organic letters","2010","12","5","1036","1039","10.1021/ol902947h","","","0.71073","MoKα","","0.0935","0.0762","","","0.229","0.2524","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503429","13.3905","0.0007","14.3534","0.0007","14.7139","0.0007","89.899","0.003","88.145","0.003","87.412","0.003","2823.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H10 F20 N4 -","- C44 H10 F20 N4 -","- C132 H30 F60 N12 -","3","1.5","","Dogutan, Dilek K.; Bediako, D. Kwabena; Teets, Thomas S.; Schwalbe, Matthias; Nocera, Daniel G.","Efficient synthesis of hangman porphyrins.","Organic letters","2010","12","5","1036","1039","10.1021/ol902947h","","","1.54178","CuKα","","0.1109","0.0854","","","0.2127","0.2428","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503430","13.2763","0.0014","13.5303","0.0014","17.55","0.0018","68.543","0.002","89.669","0.002","72.898","0.002","2785.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H62 Cl2 N4 O6 -","- C66 H62 Cl2 N4 O6 -","- C132 H124 Cl4 N8 O12 -","2","1","","Dogutan, Dilek K.; Bediako, D. Kwabena; Teets, Thomas S.; Schwalbe, Matthias; Nocera, Daniel G.","Efficient synthesis of hangman porphyrins.","Organic letters","2010","12","5","1036","1039","10.1021/ol902947h","","","0.71073","MoKα","","0.1221","0.0748","","","0.1955","0.2279","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503431","13.8469","0.0012","20.6199","0.0016","28.1033","0.0017","86.439","0.007","77.642","0.007","81.864","0.008","7755.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C136 H94 F36 N8 O7 Zn2 -","- C136 H94 F36 N8 O7 Zn2 -","- C272 H188 F72 N16 O14 Zn4 -","2","1","","Dogutan, Dilek K.; Bediako, D. Kwabena; Teets, Thomas S.; Schwalbe, Matthias; Nocera, Daniel G.","Efficient synthesis of hangman porphyrins.","Organic letters","2010","12","5","1036","1039","10.1021/ol902947h","","","1.54178","CuKα","","0.0834","0.059","","","0.1538","0.1622","","","","","","1.037","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503432","15.257","0.003","7.3998","0.0015","15.245","0.003","90","","91.42","0.03","90","","1720.6","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Zhou, Rong; Wang, Chunzhang; Song, Haibin; He, Zhengjie","Wittig olefination between phosphine, aldehyde, and allylic carbonate: a general method for stereoselective synthesis of trisubstituted 1,3-dienes with highly variable substituents.","Organic letters","2010","12","5","976","979","10.1021/ol902956y","","","0.71073","MoKα","","0.0789","0.05","","","0.0855","0.0909","","","","","","0.885","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503433","16.035","0.003","13.589","0.003","7.4609","0.0015","90","","93.89","0.03","90","","1622","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Zhou, Rong; Wang, Chunzhang; Song, Haibin; He, Zhengjie","Wittig olefination between phosphine, aldehyde, and allylic carbonate: a general method for stereoselective synthesis of trisubstituted 1,3-dienes with highly variable substituents.","Organic letters","2010","12","5","976","979","10.1021/ol902956y","","","0.71073","MoKα","","0.0504","0.0418","","","0.1049","0.1109","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503434","6.4007","0.0004","8.3512","0.0007","15.9954","0.0014","93.237","0.003","90.24","0.003","102.451","0.004","833.45","0.11","296","1","296","1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 F O4 -","- C20 H15 F O4 -","- C40 H30 F2 O8 -","2","1","","Wu, Yihua; Yao, Weijun; Pan, Lianjie; Zhang, Yiping; Ma, Cheng","N-heterocyclic carbene catalyzed transformations of 3-halopropenals to the equivalents of beta-acylvinyl anions.","Organic letters","2010","12","3","640","643","10.1021/ol902961y","","","0.71075","MoKα","","","0.0729","","","","0.1837","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503435","9.5516","0.0006","9.9896","0.0005","10.7976","0.0007","97.369","0.002","101.399","0.002","107.244","0.002","945.15","0.1","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 Br N2 O5 -","- C17 H19 Br N2 O5 -","- C34 H38 Br2 N4 O10 -","2","1","","Wu, Yihua; Yao, Weijun; Pan, Lianjie; Zhang, Yiping; Ma, Cheng","N-heterocyclic carbene catalyzed transformations of 3-halopropenals to the equivalents of beta-acylvinyl anions.","Organic letters","2010","12","3","640","643","10.1021/ol902961y","","","0.71073","MoKα","","0.0899","0.039","","","0.0841","0.1275","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503436","7.9402","0.0002","11.7992","0.0003","15.7954","0.0004","90","","90","","90","","1479.84","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","","Xiao, Jian; Xu, Feng-Xia; Lu, Yun-Peng; Loh, Teck-Peng","Chemzymes: a new class of structurally rigid tricyclic amphibian organocatalyst inspired by natural product.","Organic letters","2010","12","6","1220","1223","10.1021/ol9029758","","","0.71073","MoKα","","0.071","0.0512","","","0.1272","0.149","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503437","10.6835","0.0006","8.7762","0.0005","12.7768","0.0007","90","","97.709","0.004","90","","1187.13","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H12 Br N O3 -","- C11 H12 Br N O3 -","- C44 H48 Br4 N4 O12 -","4","2","","Xiao, Jian; Xu, Feng-Xia; Lu, Yun-Peng; Loh, Teck-Peng","Chemzymes: a new class of structurally rigid tricyclic amphibian organocatalyst inspired by natural product.","Organic letters","2010","12","6","1220","1223","10.1021/ol9029758","","","0.71073","MoKα","","0.0862","0.0463","","","0.1263","0.1494","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503438","6.3734","0.0002","12.5913","0.0003","26.0483","0.0006","90","","90","","90","","2090.36","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C92 H112 N8 O12 -","4","1","","Caille, Seb; Boni, Jerome; Cox, Geoffrey B.; Faul, Margaret M.; Franco, Pilar; Khattabi, Saab; Klingensmith, Liane M.; Larrow, Jay F.; Lee, James K.; Martinelli, Michael J.; Miller, Larry M.; Moniz, George A.; Sakai, Kenichi; Tedrow, Jason S.; Hansen, Karl B.","Comparison of Large-Scale Routes to Manufacture Chiralexo-2-Norbornyl Thiourea","Organic Process Research & Development","2010","14","1","133","","10.1021/op9002328","","x-ray","0.71073","MoKα","","0.0775","0.0417","","","0.0737","0.0844","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503439","14.961","0.005","14.961","0.005","25.968","0.005","90","0.005","90","0.005","120","0.005","5034","3","291","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C35 H27 Cl2 N O5 -","- C35 H27 Cl2 N O5 -","- C210 H162 Cl12 N6 O30 -","6","2","","Wei, Qiang; Gong, Liu-Zhu","Organocatalytic asymmetric formal [4 + 2] cycloaddition for the synthesis of spiro[4-cyclohexanone-1,3'-oxindoline] derivatives in high optical purity.","Organic letters","2010","12","5","1008","1011","10.1021/ol100020v","","","0.71073","MoKα","","0.1046","0.0785","","","0.2167","0.2259","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503440","18.093","0.004","9.0114","0.0018","28.029","0.006","90","","101.57","0.03","90","","4477.1","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45.71 H55.01 N3.86 O12.14 -","- C45.712 H55.008 N3.856 O12.144 -","- C182.848 H220.032 N15.424 O48.576 -","4","0.5","","Liu, Ming; Yan, Xuzhou; Hu, Menglong; Chen, Xiaopeng; Zhang, Mingming; Zheng, Bo; Hu, Xiaohuan; Shao, Shuang; Huang, Feihe","Photoresponsive host-guest systems based on a new azobenzene-containing cryptand.","Organic letters","2010","12","11","2558","2561","10.1021/ol100770j","","","0.71073","MoKα","","0.0518","0.0465","","","0.1224","0.127","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503441","6.7733","0.0005","10.6708","0.0006","13.4177","0.0006","90","","91.054","0.005","90","","969.62","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F12 N2 P2 -","- C16 H14 F12 N2 P2 -","- C32 H28 F24 N4 P4 -","2","0.5","","Liu, Ming; Yan, Xuzhou; Hu, Menglong; Chen, Xiaopeng; Zhang, Mingming; Zheng, Bo; Hu, Xiaohuan; Shao, Shuang; Huang, Feihe","Photoresponsive host-guest systems based on a new azobenzene-containing cryptand.","Organic letters","2010","12","11","2558","2561","10.1021/ol100770j","","","1.54184","CuKα","","0.0728","0.0588","","","0.1765","0.1906","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503442","6.1272","0.0003","11.7615","0.0006","21.1408","0.0012","90","","90.364","0.004","90","","1523.48","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Mycka, Robert J.; Steward, Omar W.; Fleming, Fraser F.","Gamma-hydroxynitrile alkylations: electrophile-dependent stereoselectivity.","Organic letters","2010","12","13","3030","3033","10.1021/ol101030r","","","0.71073","MoKα","","0.0624","0.0419","","","0.1129","0.1259","","","","","","0.801","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503443","25.123","0.003","6.487","0.0012","27.418","0.004","90","","134.853","0.008","90","","3167.7","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C128 H184 N8 O16 -","8","1","","Mycka, Robert J.; Steward, Omar W.; Fleming, Fraser F.","Gamma-hydroxynitrile alkylations: electrophile-dependent stereoselectivity.","Organic letters","2010","12","13","3030","3033","10.1021/ol101030r","","","0.71073","MoKα","","0.588","0.1394","","","0.2223","0.3441","","","","","","0.96","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503444","9.7044","0.0002","7.0265","0.0002","23.8043","0.0005","90","","93.659","0.001","90","","1619.86","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Mycka, Robert J.; Steward, Omar W.; Fleming, Fraser F.","Gamma-hydroxynitrile alkylations: electrophile-dependent stereoselectivity.","Organic letters","2010","12","13","3030","3033","10.1021/ol101030r","","","0.71073","MoKα","","0.078","0.0453","","","0.1081","0.1248","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503445","10.557","0.007","10.13","0.006","10.861","0.007","90","","110.844","0.01","90","","1085.5","1.2","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C40 H60 N4 O8 -","4","2","","Mycka, Robert J.; Steward, Omar W.; Fleming, Fraser F.","Gamma-hydroxynitrile alkylations: electrophile-dependent stereoselectivity.","Organic letters","2010","12","13","3030","3033","10.1021/ol101030r","","","0.71073","MoKα","","0.1505","0.1262","","","0.3396","0.3586","","","","","","1.381","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503446","6.4938","0.0005","10.5697","0.0008","20.8128","0.0015","91.968","0.005","91.78","0.005","99.199","0.003","1408.37","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H25 N O2 -","- C13 H25 N O2 -","- C52 H100 N4 O8 -","4","2","","Mycka, Robert J.; Steward, Omar W.; Fleming, Fraser F.","Gamma-hydroxynitrile alkylations: electrophile-dependent stereoselectivity.","Organic letters","2010","12","13","3030","3033","10.1021/ol101030r","","","0.71073","MoKα","","0.0573","0.0396","","","0.0898","0.1014","","","","","","1.072","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503447","7.4731","0.0002","11.0807","0.0003","13.9955","0.0004","90","","105.044","0.001","90","","1119.21","0.05","90","0.1","90","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O4 -","- C25 H36 O4 -","- C50 H72 O8 -","2","1","","Daoust, Julie; Fontana, Angelo; Merchant, Catherine E.; de Voogd, Nicole J.; Patrick, Brian O.; Kieffer, Timothy J.; Andersen, Raymond J.","Ansellone A, a sesterterpenoid isolated from the nudibranch Cadlina luteromarginata and the sponge Phorbas sp., activates the cAMP signaling pathway.","Organic letters","2010","12","14","3208","3211","10.1021/ol101151f","","","1.54178","CuKα","","0.034","0.0326","","","0.0804","0.0815","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503448","32.0014","0.0017","10.3331","0.0005","22.6217","0.0012","90","","96.632","0.001","90","","7430.3","0.7","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 O -","- C23 H24 O -","- C368 H384 O16 -","16","2","","Yang, Chun-Ming; Jeganmohan, Masilamani; Parthasarathy, Kanniyappan; Cheng, Chien-Hong","Highly selective nickel-catalyzed three-component coupling of alkynes with enones and alkenyl boronic acids: a novel route to substituted 1,3-dienes","Organic Letters","2010","12","16","3610","3613","10.1021/ol101319f","","","0.71073","MoKα","","0.1525","0.0531","","","0.115","0.154","","","","","","0.937","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503449","7.424","0.003","15.481","0.007","17.646","0.01","67.579","0.018","79.68","0.017","79.989","0.015","1832","1.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.5 H25 B Cl N3 O S6 -","- C40.5 H25 B Cl N3 O S6 -","- C81 H50 B2 Cl2 N6 O2 S12 -","2","1","","Hayashi, Shin-ya; Inokuma, Yasuhide; Osuka, Atsuhiro","meso-Tris(oligo-2,5-thienylene)-substituted subporphyrins.","Organic letters","2010","12","18","4148","4151","10.1021/ol101746d","","","0.71075","MoKα","","0.1187","0.0878","","","0.2399","0.2738","","","","","","1.038","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503450","29.161","0.0004","29.161","0.0004","17.6054","0.0003","90","","90","","120","","12965.3","0.3","135","2","135","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C90 H102 N6 Si6 -","- C90 H102 N6 Si6 -","- C540 H612 N36 Si36 -","6","0.333333","","Ji, Lei; Fang, Qi; Yuan, Mao-Sen; Liu, Zhi-Qiang; Shen, Yu-Xiang; Chen, Hong-Feng","Switching high two-photon efficiency: from 3,8,13-substituted triindole derivatives to their 2,7,12-isomers.","Organic letters","2010","12","22","5192","5195","10.1021/ol102057t","","","0.71073","MoKα","","0.1038","0.0582","","","0.1458","0.1769","","","","","","0.945","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503451","18.791","0.002","6.8256","0.0007","24.898","0.003","90","","107.546","0.002","90","","3044.8","0.6","160.2","","160","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37.2 H28 O9 -","- C37.195 H28 O9 -","- C148.78 H112 O36 -","4","1","","Lumb, Jean-Philip; Krinsky, Jamin L.; Trauner, Dirk","Theoretical investigation of the rubicordifolin cascade.","Organic letters","2010","12","22","5162","5165","10.1021/ol102157d","","","0.7107","MoKα","","0.1462","0.0548","","0.0737","","0.0567","","","","","","1.491","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503452","11.1498","0.0001","11.1498","0.0001","40.4482","0.0008","90","","90","","90","","5028.44","0.12","150","2","150","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","psidial A","","","- C30 H34 O5 -","- C30 H34 O5 -","- C240 H272 O40 -","8","1","","Shao, Meng; Wang, Ying; Liu, Zhong; Zhang, Dong-Mei; Cao, Hui-Hui; Jiang, Ren-Wang; Fan, Chun-Lin; Zhang, Xiao-Qi; Chen, He-Ru; Yao, Xin-Sheng; Ye, Wen-Cai","Psiguadials A and B, two novel meroterpenoids with unusual skeletons from the leaves of Psidium guajava.","Organic letters","2010","12","21","5040","5043","10.1021/ol102179u","","","1.54178","CuKα","","0.0386","0.0312","","","0.0687","0.0705","","","","","","0.964","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503453","11.5025","0.0012","9.3758","0.001","15.054","0.0016","90","","101.188","0.002","90","","1592.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","","Cao, Jian; Huang, Xian","Facile synthesis of tetrahydro-1H-isoindolones via a sequential three-component copper-catalyzed coupling/propargyl-allenyl isomerization/[4 + 2] cyclization reaction.","Organic letters","2010","12","21","5048","5051","10.1021/ol102235t","","","0.71073","MoKα","","0.0689","0.0507","","","0.1128","0.1214","","","","","","0.977","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503454","6.2608","0.0002","27.9762","0.002","11.5615","0.0004","89.99","0.006","90.002","0.006","89.995","0.006","2025.04","0.17","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C100 H88 N8 O16 -","4","2","","Zhang, Hankun; Tückmantel, Werner; Eaton, J. Brek; Yuen, Po-Wai; Yu, Li-Fang; Bajjuri, Krishna Mohan; Fedolak, Allison; Wang, Daguang; Ghavami, Afshin; Caldarone, Barbara; Paterson, Neil E.; Lowe, David A.; Brunner, Daniela; Lukas, Ronald J.; Kozikowski, Alan P.","Chemistry and Behavioral Studies Identify Chiral Cyclopropanes as Selective α4β2-Nicotinic Acetylcholine Receptor Partial Agonists Exhibiting an Antidepressant Profile.","Journal of medicinal chemistry","2012","55","2","717","724","10.1021/jm201157c","","","1.54187","CuKα","","","0.0584","","","","0.1598","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503455","10.18411","0.00014","14.96067","0.00018","9.13052","0.00013","90","","99.2862","0.0014","90","","1372.9","0.03","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Br N3 O2 S -","- C12 H16 Br N3 O2 S -","- C48 H64 Br4 N12 O8 S4 -","4","1","","Baud, Matthias G. J.; Leiser, Thomas; Haus, Patricia; Samlal, Sharon; Wong, Ai Ching; Wood, Robert J.; Petrucci, Vanessa; Gunaratnam, Mekala; Hughes, Siobhan M.; Buluwela, Lakjaya; Turlais, Fabrice; Neidle, Stephen; Meyer-Almes, Franz-Josef; White, Andrew J. P.; Fuchter, Matthew J.","Defining the Mechanism of Action and Enzymatic Selectivity of Psammaplin A against Its Epigenetic Targets.","Journal of medicinal chemistry","2012","55","4","1731","1750","10.1021/jm2016182","","","0.71073","MoKα","","0.0401","0.024","","","0.0518","0.0532","","","","","","0.927","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503456","11.6351","0.0009","16.2914","0.0012","20.4165","0.0013","75.588","0.006","87.355","0.006","77.305","0.007","3656.4","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C155 H176 N4 O9 -","- C155 H176 N4 O9 -","- C155 H176 N4 O9 -","1","1","","Gibson, Harry W.; Wang, Hong; Niu, Zhenbin; Slebodnick, Carla; Zhakharov, Lev N.; Rheingold, Arnold L.","Rotaxanes from Tetralactams","Macromolecules","2012","45","3","1270","","10.1021/ma202373x","","x-ray","1.54178","CuKα","","0.1877","0.1011","","","0.2651","0.3075","","","","","","0.828","","","","has coordinates","295939","2024-11-15","15:37:59",""
"1503457","10.99","0.0002","11.295","0.0003","11.649","0.0002","117.001","0.001","95.826","0.0014","104.191","0.0012","1210.58","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H23 N O3 -","- C31 H23 N O3 -","- C62 H46 N2 O6 -","2","1","","Lee, Chung-Chieh; Leung, Man-kit; Lee, Pei-Yu; Chiu, Tien-Lung; Lee, Jiun-Haw; Liu, Chun; Chou, Pi-Tai","Synthesis and Properties of Oxygen-LinkedN-Phenylcarbazole Dendrimers","Macromolecules","2012","45","2","751","","10.1021/ma202433y","","","0.71073","MoKα","","0.1039","0.0517","","","0.1425","0.1757","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503458","21.9636","0.0011","12.4959","0.0007","23.6723","0.0016","90","","101.38","0.004","90","","6369.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Fe2 O2 Si4 -","- C30 H44 Fe2 O2 Si4 -","- C240 H352 Fe16 O16 Si32 -","8","2","","Bruña, Sonia; González-Vadillo, Ana M; Nieto, Daniel; Pastor, César J.; Cuadrado, Isabel","Redox-Active Macrocyclic and Linear Oligo-Carbosiloxanes Prepared via Hydrosilylation from 1,3-Divinyl-1,3-Dimethyl-1,3-Diferrocenyldisiloxane","Macromolecules","2012","45","2","781","","10.1021/ma202521n","","","0.71073","MoKα","","0.0826","0.047","","","0.1051","0.1307","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503459","8.90851","0.00016","15.3789","0.0003","12.3961","0.0009","90","","102.989","0.007","90","","1654.85","0.14","153.1","","153.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H18 O5 -","- C21 H18 O5 -","- C84 H72 O20 -","4","2","","Fukai, Miyuki; Tsukada, Mariko; Miki, Kazuhiko; Suzuki, Toshihiro; Sugita, Takashi; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Hypoxylonols C-F, Benzo[j]fluoranthenes from Hypoxylon truncatum.","Journal of natural products","2012","75","1","22","25","10.1021/np2004193","","","1.54187","CuKα","","","0.0314","","","","0.081","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503460","5.68762","0.0001","13.586","0.0003","24.108","0.0017","90","","90","","90","","1862.87","0.14","123.1","","123.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 O6 -","- C23 H22 O6 -","- C92 H88 O24 -","4","1","","Fukai, Miyuki; Tsukada, Mariko; Miki, Kazuhiko; Suzuki, Toshihiro; Sugita, Takashi; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Hypoxylonols C-F, Benzo[j]fluoranthenes from Hypoxylon truncatum.","Journal of natural products","2012","75","1","22","25","10.1021/np2004193","","","1.54187","CuKα","","","0.0313","","","","0.0792","","","","","","1.086","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503461","8.4841","0.0006","35.0879","0.0006","12.7693","0.0009","90","","109.561","0.008","90","","3581.9","0.4","153.1","","153.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21.25 H20.69 O6.1 -","- C21.25 H20.6935 O6.09675 -","- C170 H165.548 O48.774 -","8","4","","Fukai, Miyuki; Tsukada, Mariko; Miki, Kazuhiko; Suzuki, Toshihiro; Sugita, Takashi; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Hypoxylonols C-F, Benzo[j]fluoranthenes from Hypoxylon truncatum","Journal of natural products","2012","75","1","22","25","10.1021/np2004193","","","1.54187","CuKα","","","0.0847","","","","0.231","","","","","","1.048","","","","has coordinates,has disorder","189517","2020-10-21","18:00:00",""
"1503462","5.205","0.0003","18.0275","0.001","8.0225","0.0006","90","","92.299","0.007","90","","752.17","0.08","153.1","","153.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H16 O5 -","- C20 H16 O5 -","- C40 H32 O10 -","2","1","","Fukai, Miyuki; Tsukada, Mariko; Miki, Kazuhiko; Suzuki, Toshihiro; Sugita, Takashi; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Hypoxylonols C-F, Benzo[j]fluoranthenes from Hypoxylon truncatum.","Journal of natural products","2012","75","1","22","25","10.1021/np2004193","","","1.54187","CuKα","","","0.0353","","","","0.0897","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503463","11.5565","0.0007","14.6892","0.001","22.021","0.0015","90","","90","","90","","3738.2","0.4","180","2","180","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H53 N O8 -","- C41 H53 N O8 -","- C164 H212 N4 O32 -","4","1","","Long, Christophe; Beck, Joséphine; Cantagrel, Frédéric; Marcourt, Laurence; Vendier, Laure; David, Bruno; Plisson, Fabien; Derguini, Fadila; Vandenberghe, Isabelle; Aussagues, Yannick; Ausseil, Frédéric; Lavaud, Catherine; Sautel, François; Massiot, Georges","Proteasome Inhibitors from Neoboutonia melleri.","Journal of natural products","2012","75","1","34","47","10.1021/np200441h","","","0.71073","MoKα","","0.0558","0.0394","","","0.0972","0.1086","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503464","17.48","0.04","7.99","0.018","12.93","0.03","90","","132.34","0.03","90","","1335","5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","Asperolide A","","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","","Sun, Hao-Fen; Li, Xiao-Ming; Meng, Li; Cui, Chuan-Ming; Gao, Shu-Shan; Li, Chun-Shun; Huang, Cai-Guo; Wang, Bin-Gui","Asperolides A-C, Tetranorlabdane Diterpenoids from the Marine Alga-Derived Endophytic Fungus Aspergillus wentii EN-48.","Journal of natural products","2012","75","2","148","152","10.1021/np2006742","","","0.71073","MoKα","","0.1361","0.0922","","","0.2362","0.2889","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503465","7.7085","0.0015","9.851","0.002","10.445","0.002","80.9","0.03","69.55","0.03","67.39","0.03","685.8","0.3","293","2","293","2","","","","","","","","3","P 1","P 1","1","wentilactone B","","","- C16 H18 O5 -","- C16 H18 O5 -","- C32 H36 O10 -","2","2","","Sun, Hao-Fen; Li, Xiao-Ming; Meng, Li; Cui, Chuan-Ming; Gao, Shu-Shan; Li, Chun-Shun; Huang, Cai-Guo; Wang, Bin-Gui","Asperolides A-C, Tetranorlabdane Diterpenoids from the Marine Alga-Derived Endophytic Fungus Aspergillus wentii EN-48.","Journal of natural products","2012","75","2","148","152","10.1021/np2006742","","","0.71073","MoKα","","0.0787","0.0731","","","0.2007","0.2101","","","","","","1.101","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503466","12.48","0.003","13.14","0.003","21.92","0.004","90","","90","","90","","3594.6","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Metacridamide A","","","- C37 H55 N O6 -","- C37 H55 N O6 -","- C148 H220 N4 O24 -","4","1","","Krasnoff, Stuart B.; Englich, Ulrich; Miller, Paula G.; Shuler, Michael L.; Glahn, Raymond P.; Donzelli, Bruno G. G.; Gibson, Donna M.","Metacridamides A and B, Macrocycles from Conidia of the Entomopathogenic Fungus Metarhizium acridum.","Journal of natural products","2012","75","2","175","180","10.1021/np2007044","","","0.9177","Synchrotron","","0.0531","0.0497","","","0.1287","0.1315","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503467","10.9243","0.0019","7.6452","0.0013","13.624","0.002","90","","92.005","0.003","90","","1137.2","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C50 H52 N4 O10 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Namjoshi, Ojas A.; Deschamps, Jeffrey R.; Cook, James M.","Brønsted Acid mediated cyclization of enaminones. Rapid and efficient access to the tetracyclic framework of the strychnos alkaloids.","Journal of natural products","2012","75","2","181","188","10.1021/np200759h","","","0.71073","MoKα","","0.0873","0.0502","","","0.1103","0.1287","","","","","","0.99","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503468","7.9956","0.0008","12.2939","0.0013","11.3263","0.0011","90","","91.511","0.002","90","","1112.96","0.19","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C50 H52 N4 O10 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Namjoshi, Ojas A.; Deschamps, Jeffrey R.; Cook, James M.","Brønsted Acid mediated cyclization of enaminones. Rapid and efficient access to the tetracyclic framework of the strychnos alkaloids.","Journal of natural products","2012","75","2","181","188","10.1021/np200759h","","","0.71073","MoKα","","0.0457","0.0395","","","0.1059","0.1118","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503469","5.6703","0.001","10.858","0.002","23.955","0.004","90","","90","","90","","1474.9","0.4","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O7 -","- C16 H20 O7 -","- C64 H80 O28 -","4","1","","Zheng, Cai-Juan; Shao, Chang-Lun; Guo, Zhi-Yong; Chen, Jian-Feng; Deng, Dong-Sheng; Yang, Kai-Lin; Chen, Yi-Yan; Fu, Xiu-Mei; She, Zhi-Gang; Lin, Yong-Cheng; Wang, Chang-Yun","Bioactive Hydroanthraquinones and Anthraquinone Dimers from a Soft Coral-Derived Alternaria sp. Fungus.","Journal of natural products","2012","75","2","189","197","10.1021/np200766d","","","0.71073","MoKα","","0.0487","0.0357","","","0.0813","0.0879","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503470","5.3587","0.0011","13.167","0.003","11.052","0.002","90","","99.957","0.004","90","","768.1","0.3","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O8 -","- C16 H22 O9 -","- C32 H44 O18 -","2","1","","Zheng, Cai-Juan; Shao, Chang-Lun; Guo, Zhi-Yong; Chen, Jian-Feng; Deng, Dong-Sheng; Yang, Kai-Lin; Chen, Yi-Yan; Fu, Xiu-Mei; She, Zhi-Gang; Lin, Yong-Cheng; Wang, Chang-Yun","Bioactive Hydroanthraquinones and Anthraquinone Dimers from a Soft Coral-Derived Alternaria sp. Fungus.","Journal of natural products","2012","75","2","189","197","10.1021/np200766d","","","0.71073","MoKα","","0.0382","0.0327","","","0.0833","0.0876","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503471","8.3669","0.0006","17.2652","0.0012","20.0508","0.0014","90","","90","","90","","2896.5","0.4","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","1","","Ponnapalli, M. Gowri; Annam, S Ch V A Rao; Ravirala, Saidulu; Sukki, Sushma; Ankireddy, Madhu; Tuniki, V. Raju","Unusual Isomeric Corniculatolides from Mangrove, Aegiceras corniculatum.","Journal of natural products","2012","75","2","275","279","10.1021/np200789s","","","0.71073","MoKα","","0.0436","0.0409","","","0.095","0.0968","","","","","","1.09","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503472","6.2359","0.0012","20.924","0.004","15.489","0.003","90","","91.34","0.03","90","","2020.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 F N O3 S -","- C22 H24 F N O3 S -","- C88 H96 F4 N4 O12 S4 -","4","1","","Li, Xiao-Xiao; Zhu, Li-Li; Zhou, Wen; Chen, Zili","Formal intermolecular [2 + 2] cycloaddition reaction of alleneamides with alkenes via gold catalysis.","Organic letters","2012","14","2","436","439","10.1021/ol202703a","","","0.71073","MoKα","","0.0779","0.0568","","","0.1446","0.1619","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503473","8.4193","0.0013","9.0149","0.0012","23.033","0.003","91.14","0.004","99.797","0.004","117.495","0.006","1518.4","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 F2 N2 O4 S2 -","- C34 H32 F2 N2 O4 S2 -","- C68 H64 F4 N4 O8 S4 -","2","1","","Li, Xiao-Xiao; Zhu, Li-Li; Zhou, Wen; Chen, Zili","Formal intermolecular [2 + 2] cycloaddition reaction of alleneamides with alkenes via gold catalysis.","Organic letters","2012","14","2","436","439","10.1021/ol202703a","","","0.71073","MoKα","","0.0492","0.0325","","","0.0717","0.0748","","","","","","1.132","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503474","8.5292","0.0017","9.4437","0.0018","9.5965","0.0018","61.113","0.002","78.878","0.006","64.12","0.009","608.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","diphenylammonium sulfate","","","- C12 H13 N O4 S -","- C12 H13 N O4 S -","- C24 H26 N2 O8 S2 -","2","1","","Sakakura, Akira; Koshikari, Yoshiki; Akakura, Matsujiro; Ishihara, Kazuaki","Hydrophobic N,N-diarylammonium pyrosulfates as dehydrative condensation catalysts under aqueous conditions.","Organic letters","2012","14","1","30","33","10.1021/ol2027366","","","0.71073","MoKα","","0.0621","0.0602","","","0.1544","0.1567","","","","","","1.252","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503475","11.3832","0.0006","11.7346","0.0006","13.7133","0.0007","84.235","0.001","73.974","0.001","80.192","0.001","1732.1","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H16 N2 -","- C23 H16 N2 -","- C92 H64 N8 -","4","2","","Cao, Jian; Xu, Yongping; Kong, Yulong; Cui, Yuming; Hu, Ziqiang; Wang, Guanhai; Deng, Yuan; Lai, Guoqiao","Synthesis of δ-carbolines via a Pd-catalyzed sequential reaction from 2-iodoanilines and N-tosyl-enynamines.","Organic letters","2012","14","1","38","41","10.1021/ol2027762","","","0.71073","MoKα","","0.0649","0.044","","","0.1366","0.1739","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503476","11.4305","0.0008","25.443","0.002","12.0501","0.0008","90","","90","","90","","3504.5","0.4","110","","110","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C48 H36 N2 O2 -","- C48 H36 N2 O2 -","- C192 H144 N8 O8 -","4","0.5","","Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan","Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.","Organic letters","2012","14","1","288","291","10.1021/ol202799j","","","1.5418","CuKα","","0.0433","0.04","","0.1145","0.1097","0.1145","","","","","","0.9889","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503477","34.248","0.005","12.589","0.005","20.845","0.005","90","","124.556","0.005","90","","7402","4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Cl2 N2 O2 -","- C48 H34 Cl2 N2 O2 -","- C384 H272 Cl16 N16 O16 -","8","1","","Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan","Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.","Organic letters","2012","14","1","288","291","10.1021/ol202799j","","","0.71069","MoKα","","0.1569","0.0902","","0.1907","0.107","0.0999","","","","","","0.8814","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503478","9.824","0.001","24.577","0.002","12.167","0.001","90","","107.43","0.01","90","","2802.8","0.5","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H68 N2 O6 -","- C68 H68 N2 O6 -","- C136 H136 N4 O12 -","2","1","","Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan","Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.","Organic letters","2012","14","1","288","291","10.1021/ol202799j","","","1.5418","CuKα","","0.0549","0.0508","","0.146","0.1367","0.146","","","","","","0.959","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503479","15.359","0.005","23.994","0.005","10.421","0.005","90","","93.476","0.005","90","","3833","2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 N2 O2 -","- C46 H32 N2 O2 -","- C184 H128 N8 O8 -","4","0.5","","Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan","Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.","Organic letters","2012","14","1","288","291","10.1021/ol202799j","","","0.71069","MoKα","","0.144","0.0658","","0.1504","0.0741","0.0741","","","","","","1.1294","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503480","12.319","0.0003","14.533","0.0003","16.017","0.0004","64.082","0.0011","69.33","0.0011","66.126","0.0013","2303.78","0.1","100","","100","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","","","","- C27 H28 N6 O -","- C27 H28 N6 O -","- C108 H112 N24 O4 -","4","2","","Chiu, Melanie; Jaun, Bernhard; Beels, Marten T. R.; Biaggio, Ivan; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Kivala, Milan; Diederich, François","N,N'-Dicyanoquinone diimide-derived donor-acceptor chromophores: conformational analysis and optoelectronic properties.","Organic letters","2012","14","1","54","57","10.1021/ol202815q","","","0.71073","MoKα","","0.1294","0.0689","","","0.1817","0.219","","","","","","1.136","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503481","26.6002","0.0006","12.4004","0.0008","17.7239","0.0012","90","","120.646","0.005","90","","5029.8","0.5","100","","100","","","","","","","","LOC ETH Zurich","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N6 -","- C30 H26 N6 -","- C240 H208 N48 -","8","1","","Chiu, Melanie; Jaun, Bernhard; Beels, Marten T. R.; Biaggio, Ivan; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Kivala, Milan; Diederich, François","N,N'-Dicyanoquinone diimide-derived donor-acceptor chromophores: conformational analysis and optoelectronic properties.","Organic letters","2012","14","1","54","57","10.1021/ol202815q","","","0.71073","MoKα","","0.121","0.0849","","","0.2215","0.2435","","","","","","1.442","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503482","11.504","0.0007","12.1136","0.0007","12.853","0.0008","100.552","0.002","98.525","0.002","96.793","0.003","1721.79","0.18","100","","100","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","","","","- C75 H80 N14 O -","- C75 H80 N14 O -","- C75 H80 N14 O -","1","0.5","","Chiu, Melanie; Jaun, Bernhard; Beels, Marten T. R.; Biaggio, Ivan; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Kivala, Milan; Diederich, François","N,N'-Dicyanoquinone diimide-derived donor-acceptor chromophores: conformational analysis and optoelectronic properties.","Organic letters","2012","14","1","54","57","10.1021/ol202815q","","","0.71073","MoKα","","0.1624","0.0988","","","0.2314","0.2618","","","","","","1.28","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503483","7.2402","0.0013","11.587","0.002","13.95","0.004","89.683","0.008","78.116","0.009","74.635","0.013","1102.8","0.4","100","","100","","","","","","","","LOC ETH Zurich","3","P 1","P 1","1","","","","- C55 H46 N10 -","- C55 H46 N10 -","- C55 H46 N10 -","1","1","","Chiu, Melanie; Jaun, Bernhard; Beels, Marten T. R.; Biaggio, Ivan; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Kivala, Milan; Diederich, François","N,N'-Dicyanoquinone diimide-derived donor-acceptor chromophores: conformational analysis and optoelectronic properties.","Organic letters","2012","14","1","54","57","10.1021/ol202815q","","","0.71073","MoKα","","0.2572","0.138","","","0.2811","0.3595","","","","","","1.267","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503484","12.57","0.003","12.57","","23.061","0.005","90","","90","","120","","3155.6","1","150","2","150","2","","","","","","","synthesis as described","4","P 61","P 61","169","","","","- C21 H30 N2 O4 -","- C21 H30 N2 O4 -","- C126 H180 N12 O24 -","6","1","","Jacolot, Maiwenn; Jean, Mickael; Levoin, Nicolas; van de Weghe, Pierre","The Prins reaction using ketones: rationalization and application toward the synthesis of the portentol skeleton.","Organic letters","2012","14","1","58","61","10.1021/ol202829u","","x-ray","0.71073","MoKα","","0.0473","0.0363","","","0.0798","0.085","","","","","","1.098","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503485","11.317","0.002","12.747","0.003","15.369","0.003","75.186","0.003","78.547","0.003","84","0.003","2097.3","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H54 S2 Si2 -","- C48 H54 S2 Si2 -","- C96 H108 S4 Si4 -","2","1","","Lehnherr, Dan; Hallani, Rawad; McDonald, Robert; Anthony, John E.; Tykwinski, Rik R.","Synthesis and properties of isomerically pure anthrabisbenzothiophenes.","Organic letters","2012","14","1","62","65","10.1021/ol202843x","","","0.71073","MoKα","","0.098","0.054","","","0.1295","0.153","","","","","","1.017","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503486","11.1453","0.0011","16.4944","0.0016","26.181","0.003","88.4584","0.0013","85.4059","0.0014","89.7663","0.0013","4795.8","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 S2 Si2 -","- C54 H66 S2 Si2 -","- C216 H264 S8 Si8 -","4","2","","Lehnherr, Dan; Hallani, Rawad; McDonald, Robert; Anthony, John E.; Tykwinski, Rik R.","Synthesis and properties of isomerically pure anthrabisbenzothiophenes.","Organic letters","2012","14","1","62","65","10.1021/ol202843x","","","0.71073","MoKα","","0.1007","0.0599","","","0.1313","0.1527","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503487","8.9292","0.0004","15.2194","0.0006","18.4144","0.0008","83.0261","0.0005","76.3552","0.0005","88.7465","0.0005","2413.78","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 S2 Si2 -","- C54 H66 S2 Si2 -","- C108 H132 S4 Si4 -","2","1","","Lehnherr, Dan; Hallani, Rawad; McDonald, Robert; Anthony, John E.; Tykwinski, Rik R.","Synthesis and properties of isomerically pure anthrabisbenzothiophenes.","Organic letters","2012","14","1","62","65","10.1021/ol202843x","","","0.71073","MoKα","","0.0602","0.0451","","","0.1255","0.1395","","","","","","1.046","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503488","19.9856","0.0008","9.602","0.0003","9.2975","0.0003","90","","90","","90","","1784.21","0.11","100","","100","","","","","","","","LOC ETH Zurich","5","P n a 21","P 2c -2n","33","","","","- C19 H20 N2 O3 S -","- C19 H20 N2 O3 S -","- C76 H80 N8 O12 S4 -","4","1","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Carreira, Erick M.","Expanding the azaspiro[3.3]heptane family: synthesis of novel highly functionalized building blocks.","Organic letters","2012","14","1","66","69","10.1021/ol2028459","","","0.71073","MoKα","","0.0633","0.0423","","","0.1041","0.1185","","","","","","0.816","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503489","23.477","0.003","23.477","0.003","12.0406","0.0013","90","","90","","120","","5747.3","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","6-tosyl-1-oxa-6-azaspiro[3.3]heptan-3-ol","","- C12 H15.67 N O4.33 S -","- C12 H15.6667 N O4.33333 S -","- C216 H282 N18 O78 S18 -","18","1","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Carreira, Erick M.","Expanding the azaspiro[3.3]heptane family: synthesis of novel highly functionalized building blocks.","Organic letters","2012","14","1","66","69","10.1021/ol2028459","","","0.71073","MoKα","","0.0648","0.0518","","","0.1623","0.1772","","","","","","1.299","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1503490","12.7011","0.00015","5.87973","0.00007","29.5998","0.0004","90","","91.6291","0.0011","90","","2209.59","0.05","123","","123","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N O -","- C30 H27 N O -","- C120 H108 N4 O4 -","4","1","","Kohls, Paul; Jadhav, Deepak; Pandey, Ganesh; Reiser, Oliver","Visible Light Photoredox Catalysis: Generation and Addition of N-Aryltetrahydroisoquinoline-Derived α-Amino Radicals to Michael Acceptors.","Organic letters","2012","14","3","672","675","10.1021/ol202857t","","x-ray","1.54184","CuKα","","0.0413","0.0357","","","0.0968","0.1002","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503491","7.5553","0.0007","10.2402","0.0008","14.3883","0.0015","94.865","0.008","90.429","0.008","101.756","0.007","1085.56","0.18","123","","123","","","","","","","","see text","3","P -1","-P 1","2","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","1","","Kohls, Paul; Jadhav, Deepak; Pandey, Ganesh; Reiser, Oliver","Visible Light Photoredox Catalysis: Generation and Addition of N-Aryltetrahydroisoquinoline-Derived α-Amino Radicals to Michael Acceptors.","Organic letters","2012","14","3","672","675","10.1021/ol202857t","","x-ray","1.54184","CuKα","","0.0577","0.0504","","","0.1295","0.1333","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503492","9.1545","0.0005","21.6152","0.001","8.6185","0.0003","90","","98.632","0.004","90","","1686.08","0.14","123","","123","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Kohls, Paul; Jadhav, Deepak; Pandey, Ganesh; Reiser, Oliver","Visible Light Photoredox Catalysis: Generation and Addition of N-Aryltetrahydroisoquinoline-Derived α-Amino Radicals to Michael Acceptors.","Organic letters","2012","14","3","672","675","10.1021/ol202857t","","x-ray","1.54184","CuKα","","0.0767","0.0501","","","0.1233","0.1373","","","","","","0.923","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503493","11.8807","0.001","19.0098","0.0016","8.062","0.0007","90","","90","","90","","1820.8","0.3","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Ding, Chun-Feng; Liao, Ju-Hsiou","Organocatalytic Michael-Knoevenagel-hetero-Diels-Alder reactions: an efficient asymmetric one-pot strategy to isochromene pyrimidinedione derivatives.","Organic letters","2012","14","2","448","451","10.1021/ol202877m","","","0.71073","MoKα","","0.0628","0.0531","","","0.1242","0.1297","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503494","6.1676","0.0009","13.819","0.002","26.298","0.004","90","","90","","90","","2241.4","0.6","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N3 O4 -","- C25 H27 N3 O4 -","- C100 H108 N12 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Ding, Chun-Feng; Liao, Ju-Hsiou","Organocatalytic Michael-Knoevenagel-hetero-Diels-Alder reactions: an efficient asymmetric one-pot strategy to isochromene pyrimidinedione derivatives.","Organic letters","2012","14","2","448","451","10.1021/ol202877m","","","0.71073","MoKα","","0.1173","0.0561","","","0.1179","0.1533","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503495","5.7843","0.0007","21.111","0.003","21.215","0.003","90","","90","","90","","2590.6","0.6","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Br N3 O4 -","- C25 H26 Br N3 O4 -","- C100 H104 Br4 N12 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Ding, Chun-Feng; Liao, Ju-Hsiou","Organocatalytic Michael-Knoevenagel-hetero-Diels-Alder reactions: an efficient asymmetric one-pot strategy to isochromene pyrimidinedione derivatives.","Organic letters","2012","14","2","448","451","10.1021/ol202877m","","","0.71073","MoKα","","0.0863","0.0526","","","0.1334","0.1466","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503496","8.5445","0.0006","13.2014","0.001","12.4279","0.0011","90","","102.815","0.002","90","","1366.94","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl N3 -","- C16 H12 Cl N3 -","- C64 H48 Cl4 N12 -","4","1","","Wang, Xiaoqiang; Jin, Yunhe; Zhao, Yufen; Zhu, Lin; Fu, Hua","Copper-catalyzed aerobic oxidative intramolecular C-H amination leading to imidazobenzimidazole derivatives.","Organic letters","2012","14","2","452","455","10.1021/ol202884z","","","0.71073","MoKα","","0.049","0.041","","","0.085","0.0879","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503497","13.6228","0.0017","6.4397","0.0008","17.484","0.002","90","","95.313","0.002","90","","1527.2","0.3","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","Adachi, Masaatsu; Higuchi, Keiko; Thasana, Nopporn; Yamada, Hitomi; Nishikawa, Toshio","Stereocontrolled synthesis of an indole moiety of sespendole and stereochemical assignment of the side chain.","Organic letters","2012","14","1","114","117","10.1021/ol202895u","","","0.71073","MoKα","","0.0953","0.069","","","0.1841","0.2037","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503498","30.0284","0.0004","30.0284","0.0004","9.5833","0.0002","90","","90","","120","","7483.6","0.2","293","2","293","2","","","","","","","synthesis as described","4","R -3 :H","-R 3","148","","","","- C15 H24 O3 Si -","- C15 H24 O3 Si -","- C270 H432 O54 Si18 -","18","1","","Bartoli, Alexandra; Chouraqui, Gaëlle; Parrain, Jean-Luc","Collective domino approach toward the core of molecules isolated from the genus Schisandra.","Organic letters","2012","14","1","122","125","10.1021/ol2029146","","x-ray","0.71073","MoKα","","0.0813","0.0516","","","0.1527","0.1925","","","","","","1.166","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503499","9.9429","0.0012","10.034","0.0013","19.916","0.002","90","","95.124","0.003","90","","1979","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N S -","- C25 H21 N S -","- C100 H84 N4 S4 -","4","1","","Hemming, Karl; Khan, Musharraf N.; Kondakal, Vishnu V. R.; Pitard, Arnaud; Qamar, M. Ilyas; Rice, Craig R.","Pyridines from azabicyclo[3.2.0]hept-2-en-4-ones through a proposed azacyclopentadienone.","Organic letters","2012","14","1","126","129","10.1021/ol202924s","","","0.71073","MoKα","","0.0799","0.0441","","","0.1013","0.1179","","","","","","1.003","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503500","7.2587","0.0007","10.3598","0.001","16.6645","0.0016","90","","90","","90","","1253.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br N3 O3 -","- C12 H10 Br N3 O3 -","- C48 H40 Br4 N12 O12 -","4","1","","Liu, Lu; Wu, Deyan; Zheng, Shu; Li, Tengfei; Li, Xiangmin; Wang, Sinan; Li, Jian; Li, Hao; Wang, Wei","Synthesis of highly functionalized chiral 3,3'-disubstituted oxindoles via an organocatalytic enantioselective Michael addition of nitroalkanes to indolylidenecyanoacetates.","Organic letters","2012","14","1","134","137","10.1021/ol202931e","","","0.71073","MoKα","","0.0519","0.0452","","","0.1124","0.1168","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503501","6.9954","0.0004","11.7795","0.0007","29.5906","0.0017","90","","90","","90","","2438.3","0.2","293","2","292","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bicyclo[4.2.0]octa-2,4-diene derivative","","","- C26 H28 N2 O4 -","- C26 H28 N2 O4 -","- C104 H112 N8 O16 -","4","1","","Kim, Keunsoo; Lauher, Joseph W.; Parker, Kathlyn A.","Asymmetric induction in 8π electrocyclizations. Design of a removable chiral auxiliary.","Organic letters","2012","14","1","138","141","10.1021/ol202932x","","","0.7107","MoKα","","0.1397","0.0364","","","0.0624","0.075","","","","","","0.966","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503502","9.9252","0.0018","10.0516","0.0018","11.659","0.002","67.709","0.003","69.292","0.003","66.289","0.003","957.2","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C48 H46 N2 O4 -","2","1","","Fournier, Anne M.; Clayden, Jonathan","Tertiary alcohols by tandem β-carbolithiation and N→ C aryl migration in enol carbamates.","Organic letters","2012","14","1","142","145","10.1021/ol2029355","","","0.71073","MoKα","","0.1111","0.053","","","0.0721","0.0853","","","","","","0.883","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503503","9.807","0.004","23.295","0.01","21.312","0.009","90","","90.032","0.009","90","","4869","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N O2 -","- C28 H33 N O2 -","- C224 H264 N8 O16 -","8","2","","Fournier, Anne M.; Clayden, Jonathan","Tertiary alcohols by tandem β-carbolithiation and N→ C aryl migration in enol carbamates.","Organic letters","2012","14","1","142","145","10.1021/ol2029355","","","0.71073","MoKα","","0.2003","0.0806","","","0.1116","0.1473","","","","","","0.905","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503504","16.897","0.003","7.9962","0.0012","14.334","0.002","90","","91.242","0.003","90","","1936.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl2 O2 -","- C23 H22 Cl2 O2 -","- C92 H88 Cl8 O8 -","4","1","","Sautier, Brice; Lyons, Sarah E.; Webb, Michael R.; Procter, David J.","Radical cyclization cascades of unsaturated Meldrum's acid derivatives.","Organic letters","2012","14","1","146","149","10.1021/ol2029367","","","0.71073","MoKα","","0.0475","0.0402","","","0.1043","0.108","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503505","11.3127","0.0012","11.5028","0.0012","17.0515","0.0018","76.16","0.002","74.987","0.002","81.589","0.002","2072.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 Cl2 O3 -","- C24 H24 Cl2 O3 -","- C96 H96 Cl8 O12 -","4","2","","Sautier, Brice; Lyons, Sarah E.; Webb, Michael R.; Procter, David J.","Radical cyclization cascades of unsaturated Meldrum's acid derivatives.","Organic letters","2012","14","1","146","149","10.1021/ol2029367","","","0.71073","MoKα","","0.0529","0.044","","","0.1021","0.107","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503506","8.3674","0.0005","10.8816","0.001","28.719","0.002","90","","90","","90","","2614.9","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C120 H168 O20 -","4","1","","Farimani, M. Moridi; Taheri, Salman; Ebrahimi, Samad N.; Bahadori, M. Babak; Khavasi, Hamid R.; Zimmermann, Stefanie; Brun, Reto; Hamburger, Matthias","Hydrangenone, a new isoprenoid with an unprecedented skeleton from Salvia hydrangea.","Organic letters","2012","14","1","166","169","10.1021/ol202953b","","","0.71073","MoKα","","0.1237","0.0691","","","0.109","0.1231","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503507","8.1046","0.0008","16.1014","0.0015","16.2436","0.0016","80.001","0.001","82.991","0.001","83.36","0.001","2062.2","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","dinaphthylsilanediol with diethyl ether solvate","","","- C24 H26 O3 Si -","- C24 H26 O3 Si -","- C96 H104 O12 Si4 -","4","2","","Tran, Ngon T.; Wilson, Sean O.; Franz, Annaliese K.","Cooperative hydrogen-bonding effects in silanediol catalysis.","Organic letters","2012","14","1","186","189","10.1021/ol202971m","","","0.71073","MoKα","","0.0497","0.0378","","","0.0985","0.1078","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503508","9.389","0.003","19.374","0.006","8.611","0.003","90","","93.933","0.004","90","","1562.7","0.9","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dinaphthylsilanediol","","","- C20 H16 O2 Si -","- C20 H16 O2 Si -","- C80 H64 O8 Si4 -","4","1","","Tran, Ngon T.; Wilson, Sean O.; Franz, Annaliese K.","Cooperative hydrogen-bonding effects in silanediol catalysis.","Organic letters","2012","14","1","186","189","10.1021/ol202971m","","","0.71073","MoKα","","0.0585","0.036","","","0.0829","0.0961","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503509","22.06","0.0019","6.295","0.0006","34.93","0.003","90","","90","","90","","4850.6","0.7","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[5-Azido-10,20-diphenylporphyrinato]nickel(II)","","- C32 H19 N7 Ni -","- C32 H19 N7 Ni -","- C256 H152 N56 Ni8 -","8","1","","Yamashita, Ken-ichi; Kataoka, Kazuyuki; Asano, Motoko S.; Sugiura, Ken-ichi","Catalyst-free aromatic nucleophilic substitution of meso-bromoporphyrins with azide anion: efficient synthesis and structural analyses of meso-azidoporphyrins.","Organic letters","2012","14","1","190","193","10.1021/ol202973z","","","0.71073","MoKα","","0.0854","0.0555","","","0.1243","0.1384","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503510","19.929","0.004","17.419","0.003","7.3381","0.0014","90","","93.911","0.004","90","","2541.4","0.8","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[5,15-Diazido-10,20-diphenylporphyrinato]nickel(II)","","- C32 H18 N10 Ni -","- C32 H18 N10 Ni -","- C128 H72 N40 Ni4 -","4","1","","Yamashita, Ken-ichi; Kataoka, Kazuyuki; Asano, Motoko S.; Sugiura, Ken-ichi","Catalyst-free aromatic nucleophilic substitution of meso-bromoporphyrins with azide anion: efficient synthesis and structural analyses of meso-azidoporphyrins.","Organic letters","2012","14","1","190","193","10.1021/ol202973z","","","0.71073","MoKα","","0.0963","0.0565","","","0.1488","0.1854","","","","","","0.825","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503511","15.131","0.008","11.066","0.005","19.286","0.009","90","","101.158","0.008","90","","3168","3","153","","153","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C64 H80 Cl2 Cu2 N4 O3 P2 -","- C63.3568 H80 Cl2 Cu2 N4 O2.788 P2 -","- C126.714 H160 Cl4 Cu4 N8 O5.576 P4 -","2","1","","Osako, Takao; Panichakul, Duanghathai; Uozumi, Yasuhiro","Enantioselective carbenoid insertion into phenolic O-H bonds with a chiral copper(I) imidazoindolephosphine complex.","Organic letters","2012","14","1","194","197","10.1021/ol202977j","","","0.7107","MoKα","","","0.0576","","","","0.1123","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503512","9.4821","0.0005","9.8407","0.0005","12.7059","0.0007","71.701","0.002","75.391","0.002","79.222","0.002","1081.72","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 O11 -","- C24 H20 O11 -","- C48 H40 O22 -","2","1","","Gidron, Ori; Shimon, Linda J. W.; Leitus, Gregory; Bendikov, Michael","Reactivity of long conjugated systems: selectivity of Diels-Alder cycloaddition in oligofurans.","Organic letters","2012","14","2","502","505","10.1021/ol202987e","","","0.71073","MoKα","","0.0496","0.0386","","","0.1044","0.1121","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503513","6.0151","0.0012","10.963","0.002","20.032","0.004","90","","90","","90","","1321","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 N O5 -","- C16 H11 N O5 -","- C64 H44 N4 O20 -","4","1","","Gidron, Ori; Shimon, Linda J. W.; Leitus, Gregory; Bendikov, Michael","Reactivity of long conjugated systems: selectivity of Diels-Alder cycloaddition in oligofurans.","Organic letters","2012","14","2","502","505","10.1021/ol202987e","","","0.71073","MoKα","","0.0562","0.0381","","","0.0846","0.0926","","","","","","1.093","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503514","5.8327","0.0001","10.1818","0.0002","33.8568","0.0008","90","","94.4233","0.0008","90","","2004.68","0.07","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","0.71073","MoKα","","0.0781","0.0593","","0.1481","0.1385","0.1481","","","","","","1.0178","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503515","9.9186","0.0003","13.6626","0.0005","15.7674","0.0005","109.51","0.003","92.589","0.003","104.121","0.003","1934.32","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H57 Cl N2 O3 -","- C42 H57 Cl N2 O3 -","- C84 H114 Cl2 N4 O6 -","2","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","1.5418","CuKα","","0.0653","0.062","","0.1774","0.1756","0.1774","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503516","11.68976","0.00018","14.9507","0.0002","18.3439","0.0003","90","","90","","90","","3205.97","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 N2 O2 -","- C38 H46 N2 O2 -","- C152 H184 N8 O8 -","4","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","1.54184","CuKα","","0.0403","0.0365","","0.0936","0.0894","0.0936","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503517","17.6291","0.0003","11.7882","0.0002","18.3855","0.0004","90","","116.637","0.0009","90","","3415.28","0.11","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 N2 O2 -","- C39 H48 N2 O2 -","- C156 H192 N8 O8 -","4","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","0.71073","MoKα","","0.0723","0.0534","","0.138","0.1252","0.1378","","","","","","0.9928","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503518","17.711","0.0006","12.0009","0.0004","18.5046","0.0006","90","","116.31","0.0014","90","","3525.7","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H52 N2 O2 -","- C41 H52 N2 O2 -","- C164 H208 N8 O8 -","4","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","0.71073","MoKα","","0.1713","0.0632","","0.1171","0.0627","0.0627","","","","","","1.1484","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503519","10.26594","0.00007","9.75883","0.00008","17.96995","0.00014","90","","98.0805","0.0007","90","","1782.42","0.02","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H50 N2 O4 -","- C40 H50 N2 O4 -","- C80 H100 N4 O8 -","2","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","1.54184","CuKα","","0.0463","0.0456","","0.1336","0.1326","0.1336","","","","","","1.0828","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503520","13.5392","0.0006","6.7124","0.0004","20.4694","0.001","90","","90","","90","","1860.27","0.17","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H16 N2 O2 -","- C8 H16 N2 O2 -","- C64 H128 N16 O16 -","8","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","1.5418","CuKα","","0.0708","0.0608","","0.1994","0.1944","0.1994","","","","","","1.1802","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503521","27.33","0.003","5.2842","0.0005","14.3245","0.0014","90","","100.363","0.001","90","","2035","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","09204a","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","","Trost, Barry M.; Bringley, Dustin A.; Seng, Pamela S.","Enantioselective palladium-catalyzed [3 + 2] cycloadditions of trimethylenemethane with nitroalkenes.","Organic letters","2012","14","1","234","237","10.1021/ol2030179","","","0.71073","MoKα","","0.0511","0.0375","","","0.0856","0.0932","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503522","5.938","0.0001","7.9686","0.0002","27.9472","0.0006","90","","90","","90","","1322.39","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C64 H56 Cl4 N4 O8 -","4","1","","Trost, Barry M.; Bringley, Dustin A.; Seng, Pamela S.","Enantioselective palladium-catalyzed [3 + 2] cycloadditions of trimethylenemethane with nitroalkenes.","Organic letters","2012","14","1","234","237","10.1021/ol2030179","","","1.54178","CuKα","","0.0356","0.0318","","","0.0785","0.0808","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503523","8.3229","0.0013","9.1982","0.0015","16.957","0.002","78.594","0.016","85.87","0.02","89.47","0.02","1269.2","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H18.18 Cl2.82 N3 O4 -","- C29 H18.182 Cl2.818 N3 O4 -","- C58 H36.364 Cl5.636 N6 O8 -","2","1","","Li, Chengjie; Zhang, Tianyi; Zeng, Zhe; Liu, Xiujun; Zhao, Yunfeng; Zhang, Bao; Feng, Yaqing","A new route to indazolone via amidation reaction of o-carboxyazobenzene.","Organic letters","2012","14","2","479","481","10.1021/ol203020x","","","0.71073","MoKα","","0.0874","0.0525","","","0.0878","0.1012","","","","","","0.989","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503524","7.678","0.006","11.164","0.009","18.619","0.013","95.269","0.017","95.202","0.015","107.487","0.014","1504","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 B F N2 O2 -","- C15 H18 B F N2 O2 -","- C60 H72 B4 F4 N8 O8 -","4","2","","Jiang, Xin-Dong; Zhang, Jian; Furuyama, Taniyuki; Zhao, Weili","Development of mono- and di-AcO substituted BODIPYs on the boron center.","Organic letters","2012","14","1","248","251","10.1021/ol2030229","","","0.71073","MoKα","","0.1226","0.0824","","","0.2179","0.2437","","","","","","1.183","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503525","15.8268","0.0002","14.2082","0.0003","8.8506","0.0002","90","","116.466","0.002","90","","1781.66","0.07","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C17 H21 B N2 O4 -","- C17 H21 B N2 O4 -","- C68 H84 B4 N8 O16 -","4","0.5","","Jiang, Xin-Dong; Zhang, Jian; Furuyama, Taniyuki; Zhao, Weili","Development of mono- and di-AcO substituted BODIPYs on the boron center.","Organic letters","2012","14","1","248","251","10.1021/ol2030229","","","0.71073","MoKα","","0.1134","0.069","","","0.1944","0.2152","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503526","13.6242","0.0013","10.5606","0.001","14.0237","0.0013","90","","107.306","0.002","90","","1926.4","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","RH-4-34","","","- C21 H26 N2 O4 S -","- C21 H26 N2 O4 S -","- C84 H104 N8 O16 S4 -","4","1","","Hayashi, Ryuji; Ma, Zhi-Xiong; Hsung, Richard P.","A tandem 1,3-H-shift-6π-electrocyclization-cyclic 2-amido-diene intramolecular Diels-Alder cycloaddition approach to BCD-Ring of atropurpuran.","Organic letters","2012","14","1","252","255","10.1021/ol203030a","","","0.71073","MoKα","","0.0737","0.0499","","","0.1137","0.1296","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503527","7.7364","0.0003","11.3727","0.0005","10.3702","0.0005","90","","93.049","0.001","90","","911.12","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","11254a","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C40 H44 N4 O12 -","2","1","","Hayashi, Ryuji; Ma, Zhi-Xiong; Hsung, Richard P.","A tandem 1,3-H-shift-6π-electrocyclization-cyclic 2-amido-diene intramolecular Diels-Alder cycloaddition approach to BCD-Ring of atropurpuran.","Organic letters","2012","14","1","252","255","10.1021/ol203030a","","","0.71073","MoKα","","0.0306","0.0298","","","0.0751","0.0759","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503528","6.0812","0.0004","13.6176","0.0008","15.5864","0.0009","90","","90","","90","","1290.73","0.14","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Denmark, Scott E.; Burk, Matthew T.","Enantioselective bromocycloetherification by Lewis base/chiral Brønsted acid cooperative catalysis.","Organic letters","2012","14","1","256","259","10.1021/ol203033k","","","1.54178","CuKα","","0.0317","0.0305","","","0.0828","0.0838","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503529","6.152","0.0014","9.748","0.0013","26.381","0.004","90","","90","","90","","1582.1","0.5","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 -","- C20 H18 N2 -","- C80 H72 N8 -","4","1","","Broman, Søren Lindbæk; Petersen, Anne Ugleholdt; Tortzen, Christian Gregers; Vibenholt, Johan; Bond, Andrew D.; Nielsen, Mogens Brøndsted","A bis(heptafulvenyl)-dicyanoethylene thermoswitch with two sites for ring closure.","Organic letters","2012","14","1","318","321","10.1021/ol2030586","","","0.71073","MoKα","","0.0599","0.0456","","","0.1033","0.1104","","","","","","1.09","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503530","6.9618","0.0006","14.5124","0.0012","8.2473","0.0007","90","","110.215","0.003","90","","781.92","0.12","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Azulenium ion","","","- C18 H11 B F4 N2 -","- C18 H11 B F4 N2 -","- C36 H22 B2 F8 N4 -","2","1","","Broman, Søren Lindbæk; Petersen, Anne Ugleholdt; Tortzen, Christian Gregers; Vibenholt, Johan; Bond, Andrew D.; Nielsen, Mogens Brøndsted","A bis(heptafulvenyl)-dicyanoethylene thermoswitch with two sites for ring closure.","Organic letters","2012","14","1","318","321","10.1021/ol2030586","","","0.71073","MoKα","","0.0421","0.0398","","","0.1039","0.1057","","","","","","1.049","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503531","7.9713","0.0004","11.856","0.0008","19.9106","0.0013","89.124","0.005","87.531","0.004","86.362","0.005","1876","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H44 F6 N O9 P -","- C30 H44 F6 N O9 P -","- C60 H88 F12 N2 O18 P2 -","2","1","","Zheng, Bo; Zhang, Mingming; Dong, Shengyi; Liu, Jiyong; Huang, Feihe","A benzo-21-crown-7/secondary ammonium salt [c2]daisy chain.","Organic letters","2012","14","1","306","309","10.1021/ol203062w","","","1.54184","CuKα","","0.0738","0.0528","","","0.1035","0.111","","","","","","1.018","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503532","7.7103","0.0003","13.3553","0.0004","11.7923","0.0004","90","","100.094","0.002","90","","1195.5","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N O6 -","- C10 H15 N O6 -","- C40 H60 N4 O24 -","4","2","","Aydillo, Carlos; Avenoza, Alberto; Busto, Jesús H; Jiménez-Osés, Gonzalo; Peregrina, Jesús M; Zurbano, María M","A biomimetic approach to lanthionines.","Organic letters","2012","14","1","334","337","10.1021/ol203068s","","","0.71073","MoKα","","0.0322","0.0308","","","0.0768","0.0782","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503533","9.1136","0.0006","11.9642","0.0008","13.0996","0.0008","90","","90","","90","","1428.34","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C48 H76 N4 O24 -","4","1","","Aydillo, Carlos; Avenoza, Alberto; Busto, Jesús H; Jiménez-Osés, Gonzalo; Peregrina, Jesús M; Zurbano, María M","A biomimetic approach to lanthionines.","Organic letters","2012","14","1","334","337","10.1021/ol203068s","","","0.71073","MoKα","","0.0628","0.047","","","0.1203","0.1302","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503534","9.6167","0.0007","11.4223","0.0008","15.7554","0.0011","90","","90","","90","","1730.6","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 S -","- C14 H25 N O6 S -","- C56 H100 N4 O24 S4 -","4","1","","Aydillo, Carlos; Avenoza, Alberto; Busto, Jesús H; Jiménez-Osés, Gonzalo; Peregrina, Jesús M; Zurbano, María M","A biomimetic approach to lanthionines.","Organic letters","2012","14","1","334","337","10.1021/ol203068s","","","0.71073","MoKα","","0.0659","0.0459","","","0.0958","0.1045","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503535","6.5524","0.0002","10.82","0.0003","28.23","0.0009","90","","90","","90","","2001.42","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O6 S -","- C17 H29 N O6 S -","- C68 H116 N4 O24 S4 -","4","1","","Aydillo, Carlos; Avenoza, Alberto; Busto, Jesús H; Jiménez-Osés, Gonzalo; Peregrina, Jesús M; Zurbano, María M","A biomimetic approach to lanthionines.","Organic letters","2012","14","1","334","337","10.1021/ol203068s","","","0.71073","MoKα","","0.0575","0.0463","","","0.1095","0.1164","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503536","11.03","0.005","8.972","0.005","12.853","0.005","90","0.005","91.448","0.005","90","0.005","1271.5","1","291","2","291","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C26 H22 F N3 O4 S2 -","- C26 H22 F N3 O4 S2 -","- C52 H44 F2 N6 O8 S4 -","2","1","","Han, Yan-Yan; Chen, Wen-Bing; Han, Wen-Yong; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Highly efficient and stereoselective construction of dispiro-[oxazolidine-2-thione]bisoxindoles and dispiro[imidazolidine-2-thione]bisoxindoles.","Organic letters","2012","14","2","490","493","10.1021/ol203081x","","","0.71073","MoKα","","0.0354","0.0323","","","0.0844","0.0865","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503537","11.244","0.0002","19.7631","0.0003","13.6481","0.0002","90","","92.766","0.002","90","","3029.3","0.08","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 N4 O4 S2 -","- C33 H30 N4 O4 S2 -","- C132 H120 N16 O16 S8 -","4","1","","Han, Yan-Yan; Chen, Wen-Bing; Han, Wen-Yong; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Highly efficient and stereoselective construction of dispiro-[oxazolidine-2-thione]bisoxindoles and dispiro[imidazolidine-2-thione]bisoxindoles.","Organic letters","2012","14","2","490","493","10.1021/ol203081x","","","0.71073","MoKα","","0.0502","0.038","","","0.0893","0.0963","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503538","6.3","0.003","8.992","0.004","8.35","0.003","90","","94.468","0.007","90","","471.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O2 -","- C10 H11 Br O2 -","- C20 H22 Br2 O4 -","2","1","","Ginotra, Sandeep K.; Friest, Jacob A.; Berkowitz, David B.","Halocarbocyclization Entry into the Oxabicyclo[4.3.1]decyl Exomethylene-δ-Lactone Cores of Linearifolin and Zaluzanin A: Exploiting Combinatorial Catalysis.","Organic letters","2012","14","4","968","971","10.1021/ol203088g","","","0.71073","MoKα","","0.0443","0.0388","","","0.0866","0.0888","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503539","6.343","0.002","9.068","0.003","8.4","0.003","90","","94.432","0.005","90","","481.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O2 -","- C10 H11 Br O2 -","- C20 H22 Br2 O4 -","2","1","","Ginotra, Sandeep K.; Friest, Jacob A.; Berkowitz, David B.","Halocarbocyclization Entry into the Oxabicyclo[4.3.1]decyl Exomethylene-δ-Lactone Cores of Linearifolin and Zaluzanin A: Exploiting Combinatorial Catalysis.","Organic letters","2012","14","4","968","971","10.1021/ol203088g","","","0.71073","MoKα","","0.0721","0.0468","","","0.0957","0.1065","","","","","","1.003","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503540","16.6297","0.0004","8.0075","0.0002","10.8932","0.0003","90","","91.258","0.001","90","","1450.21","0.06","123","2","123","2","","","","","","","","3","C 1 2 1","C 2y","5","tenuipyrone","","","- C16 H18 O6 -","- C16 H18 O6 -","- C64 H72 O24 -","4","1","","Asai, Teigo; Chung, Yu-Ming; Sakurai, Hiroaki; Ozeki, Tomoji; Chang, Fang-Rong; Yamashita, Kouwa; Oshima, Yoshiteru","Tenuipyrone, a novel skeletal polyketide from the entomopathogenic fungus, Isaria tenuipes, cultivated in the presence of epigenetic modifiers.","Organic letters","2012","14","2","513","515","10.1021/ol203097b","","","1.54186","CuKα","","0.0248","0.0244","","","0.0643","0.0648","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503541","9.9868","0.0005","30.2095","0.0015","11.8887","0.0005","90","","90","","90","","3586.8","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2,7-bis(4-methylbenzyl)thieno[2,3-c:5,4-c']dipyridine-2,7-diium hexafluorophosphate(V) tris-acetontrile solvate","","- C32 H33 F12 N5 P2 S -","- C32 H33 F12 N5 P2 S -","- C128 H132 F48 N20 P8 S4 -","4","0.5","","Benniston, Andrew C.; Hagon, Jerry; He, Xiaoyan; Yang, Songjie; Harrington, Ross W.","Spring open two-plus-two electron storage in a disulfide-strapped methyl viologen derivative.","Organic letters","2012","14","2","506","509","10.1021/ol203099h","","","0.71073","MoKα","","0.1392","0.072","","","0.1611","0.2031","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503542","6.1108","0.0005","11.5152","0.0008","12.9622","0.0009","90","","99.776","0.008","90","","898.87","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,7-dimethylthieno[2,3-c:5,4-c']dipyridine-2,7-diium hexafluorophosphate(V)","","- C12 H12 F12 N2 P2 S -","- C12 H12 F12 N2 P2 S -","- C24 H24 F24 N4 P4 S2 -","2","0.5","","Benniston, Andrew C.; Hagon, Jerry; He, Xiaoyan; Yang, Songjie; Harrington, Ross W.","Spring open two-plus-two electron storage in a disulfide-strapped methyl viologen derivative.","Organic letters","2012","14","2","506","509","10.1021/ol203099h","","","1.54178","CuKα","","0.0885","0.0775","","","0.1986","0.2081","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503543","12.3446","0.0006","7.2892","0.0003","10.3201","0.0005","90","","105.901","0.005","90","","893.09","0.07","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[1,2]dithiino[3,4-c:6,5-c']dipyridine","","- C10 H6 N2 S2 -","- C10 H6 N2 S2 -","- C40 H24 N8 S8 -","4","0.5","","Benniston, Andrew C.; Hagon, Jerry; He, Xiaoyan; Yang, Songjie; Harrington, Ross W.","Spring open two-plus-two electron storage in a disulfide-strapped methyl viologen derivative.","Organic letters","2012","14","2","506","509","10.1021/ol203099h","","","0.71073","MoKα","","0.0277","0.0247","","","0.0655","0.0662","","","","","","1.083","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503544","13.4563","0.0017","16.559","0.002","20.379","0.003","90","","96.937","0.002","90","","4507.7","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H58 Cl N9 O7 -","- C43 H58 Cl N9 O7 -","- C172 H232 Cl4 N36 O28 -","4","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.1568","0.0709","","","0.1696","0.2118","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503545","13.673","0.004","13.729","0.004","14.697","0.005","75.33","0.003","69.249","0.003","78.752","0.004","2478.8","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H58 Cl N9 O7 -","- C43 H22 Cl N9 O7 -","- C86 H44 Cl2 N18 O14 -","2","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.1613","0.133","","","0.3715","0.4075","","","","","","1.533","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503546","19.8924","0.0018","18.594","0.0018","18.4455","0.0018","90","","90.145","0.002","90","","6822.6","1.1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H100 Cl2 N12 O8 -","- C66 H77 Cl2 N12 O8 -","- C264 H308 Cl8 N48 O32 -","4","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.0906","0.0817","","","0.2391","0.2592","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503547","21.418","0.003","13.542","0.002","23.871","0.004","90","","112.779","0.002","90","","6383.6","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H80 Cl2 N14 O10 -","- C60 H60 Cl2 N14 O10 -","- C240 H240 Cl8 N56 O40 -","4","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.1243","0.0779","","","0.2311","0.2732","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503548","13.469","0.002","13.882","0.002","24.624","0.004","85.928","0.002","86.382","0.002","71.005","0.002","4338.5","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H117 Cl2 N16 O10.5 -","- C80.75 H112 Cl2 N16 O10.25 -","- C161.5 H224 Cl4 N32 O20.5 -","2","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.1409","0.0837","","","0.2521","0.3055","","","","","","1.025","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503549","20.36","0.003","14.2083","0.0018","26.254","0.003","90","","93.84","0.002","90","","7577.7","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H96 Cl2 N16 O10 -","- C72 H96 Cl2 N16 O10 -","- C288 H384 Cl8 N64 O40 -","4","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.1442","0.0598","","","0.157","0.2054","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503550","7.45","0.0003","8.4761","0.0004","10.9301","0.0004","111.384","0.002","90.97","0.003","110.979","0.002","591.39","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H17 Cl O3 -","- C12 H17 Cl O3 -","- C24 H34 Cl2 O6 -","2","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0407","0.0352","","","0.0975","0.1075","","","","","","1.122","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503551","10.0884","0.0004","10.8974","0.0006","14.8238","0.0007","90","","119.668","0.003","90","","1416.05","0.12","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 Cl O4 -","- C13 H21 Cl O4 -","- C52 H84 Cl4 O16 -","4","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0698","0.0492","","","0.114","0.1239","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503552","13.2969","0.0004","10.1697","0.0005","9.6831","0.0004","90","","105.662","0.002","90","","1260.79","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C52 H76 Cl4 O12 -","4","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0446","0.0376","","","0.097","0.1046","","","","","","1.088","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503553","8.0876","0.0005","14.5181","0.0008","10.8895","0.0007","90","","122.497","0.004","90","","1078.4","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 Cl O2 -","- C11 H17 Cl O2 -","- C44 H68 Cl4 O8 -","4","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0583","0.0425","","","0.1015","0.1101","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503554","7.6705","0.0002","26.6937","0.0008","8.6661","0.0003","90","","120.88","0.002","90","","1522.88","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl O4 -","- C15 H23 Cl O4 -","- C60 H92 Cl4 O16 -","4","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0518","0.0421","","","0.1203","0.1339","","","","","","1.112","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503555","8.4807","0.0006","8.7173","0.0008","10.2127","0.0009","102.494","0.003","103.958","0.005","95.693","0.005","706.18","0.11","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 Cl O4 -","- C13 H21 Cl O4 -","- C26 H42 Cl2 O8 -","2","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0883","0.0766","","","0.2421","0.2476","","","","","","1.234","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503556","8.109","0.0004","8.3193","0.0004","11.0227","0.0003","103.803","0.003","95.754","0.003","117.584","0.002","620.57","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C26 H38 Cl2 O6 -","2","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0416","0.0386","","","0.1183","0.121","","","","","","1.181","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503557","6.8265","0.0005","9.4699","0.0008","24.772","0.002","90","","90","","90","","1601.4","0.2","85","2","85","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H28 B N O4 S -","- C13 H28 B N O4 S -","- C52 H112 B4 N4 O16 S4 -","4","1","","De Vries, Timothy S.; Majumder, Supriyo; Sandelin, Angela M.; Wang, Guoqiang; Vedejs, Edwin","Mechanistic variations in ionic hydrogenation of unsaturated phosphine and amine boranes.","Organic letters","2012","14","3","688","691","10.1021/ol2031203","","","0.71073","MoKα","","0.0332","0.033","","","0.0892","0.0893","","","","","","1.171","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503558","7.0668","0.0011","17.519","0.004","24.193","0.004","90","","90","","90","","2995.2","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N5 O11 P -","- C26 H36 N5 O11 P -","- C104 H144 N20 O44 P4 -","4","1","","Bera, Kalisankar; Namboothiri, Irishi N. N.","Enantioselective Synthesis of Quaternary α-Aminophosphonates via Conjugate Addition of α-Nitrophosphonates to Enones (§).","Organic letters","2012","14","4","980","983","10.1021/ol203132h","","","0.71073","MoKα","","0.4075","0.0971","","","0.1366","0.2165","","","","","","0.924","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503559","6.8478","0.0002","6.6488","0.0002","17.2236","0.0004","90","","90.252","0.001","90","","784.18","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O7 -","- C16 H17 N O7 -","- C32 H34 N2 O14 -","2","1","","Norsikian, Stéphanie; Soulé, Jean-François; Cannillo, Alexandre; Guillot, Régis; Dau, Marie-Elise Tran Huu; Beau, Jean-Marie","Remarkable stereoselectivity in intramolecular Borono-Mannich reactions: synthesis of conduramines.","Organic letters","2012","14","2","544","547","10.1021/ol203162s","","x-ray","0.71073","MoKα","","0.0485","0.0431","","","0.1125","0.1177","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503560","5.6131","0.0005","25.331","0.002","10.1079","0.0009","90","","91.766","0.002","90","","1436.5","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.1137","0.0648","","","0.1364","0.1568","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503561","16.7103","0.0015","11.6052","0.001","12.5938","0.0011","90","","90","","90","","2442.3","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","2","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.0602","0.0445","","","0.0918","0.0982","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503562","10.071","0.001","11.93","0.0012","13.1405","0.0013","76.838","0.002","83.588","0.002","71.284","0.002","1454.7","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H36 N4 -","- C30 H36 N4 -","- C60 H72 N8 -","2","1","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.1019","0.0673","","","0.168","0.184","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503563","8.627","0.008","21.841","0.008","9.936","0.005","90","","110.68","0.09","90","","1752","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 O S -","- C17 H24 N2 O S -","- C68 H96 N8 O4 S4 -","4","1","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.2655","0.049","","","0.085","0.1175","","","","","","0.698","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503564","13.9875","0.0018","13.9875","0.0018","31.44","0.007","90","","90","","90","","6151.2","1.8","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C18 H22 N2 -","- C18 H22 N2 -","- C288 H352 N32 -","16","1","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.2735","0.0933","","","0.1229","0.1742","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503565","9.4161","0.0012","9.7498","0.0013","13.4677","0.0017","110.833","0.002","93.481","0.002","102.57","0.002","1114.9","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H28 N4 -","- C26 H28 N4 -","- C52 H56 N8 -","2","1","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.1118","0.0791","","","0.1416","0.1537","","","","","","1.17","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503566","8.3574","0.0008","9.8705","0.0009","11.1365","0.0012","82.181","0.001","81.74","0.001","85.669","0.002","899.22","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 F N O3 -","- C20 H20 F N O3 -","- C40 H40 F2 N2 O6 -","2","1","","Jiang, Bo; Li, Qiu-Yun; Zhang, Hao; Tu, Shu-Jiang; Pindi, Suresh; Li, Guigen","Efficient Domino Approaches to Multifunctionalized Fused Pyrroles and Dibenzo[b,e][1,4]diazepin-1-ones.","Organic letters","2012","14","3","700","703","10.1021/ol203166c","","","0.71073","MoKα","","0.1823","0.0746","","","0.1639","0.2286","","","","","","0.92","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503567","9.0334","0.0006","7.3253","0.0005","23.9981","0.0015","90","","99.161","0.001","90","","1567.76","0.18","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O5 -","- C19 H14 N2 O5 -","- C76 H56 N8 O20 -","4","1","","Iqbal, Javed; Tangellamudi, Neelima D.; Dulla, Balakrishna; Balasubramanian, Sridhar","Sequential C-N and C-O bond formation in a single pot: synthesis of 2H-benzo[b][1,4]oxazines from 2,5-dihydroxybenzaldehyde and amino acid precursors.","Organic letters","2012","14","2","552","555","10.1021/ol2031747","","","0.71073","MoKα","","0.036","0.0335","","","0.0911","0.0937","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503568","7.886","0.001","21.928","0.003","8.292","0.001","90","","114.76","0.02","90","","1302.1","0.4","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Guyonnet, Mathieu; Baudoin, Olivier","Synthesis of tricyclic nitrogen heterocycles by a sequence of palladium-catalyzed N-H and C(sp3)-H arylations.","Organic letters","2012","14","1","398","401","10.1021/ol2031763","","","0.7107","MoKα","","0.1042","0.0874","","0.1519","0.1408","0.1519","","","","","","0.9851","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503569","8.6577","0.0009","12.786","0.001","33.474","0.004","90","","90","","90","","3705.5","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C168 H160 N16 O40 -","8","2","","Guyonnet, Mathieu; Baudoin, Olivier","Synthesis of tricyclic nitrogen heterocycles by a sequence of palladium-catalyzed N-H and C(sp3)-H arylations.","Organic letters","2012","14","1","398","401","10.1021/ol2031763","","","1.5418","CuKα","","0.0442","0.0431","","0.1194","0.1179","0.1194","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503570","8.7624","0.0007","12.4446","0.0016","12.7515","0.001","101.367","0.009","109.546","0.008","102.862","0.009","1220.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 N2 O5 S0 -","- C29 H28 N2 O5 -","- C58 H56 N4 O10 -","2","1","","Wei, Ying; Lin, Shaoxia; Xue, Hongxun; Liang, Fushun; Zhao, Baozhong","Halonium-Initiated C-O Bond Formation via Umpolung of α-Carbon to the Carbonyl: Efficient Access to 5-Amino-3(2H)-furanones.","Organic letters","2012","14","3","712","715","10.1021/ol203183k","","","0.71073","MoKα","","0.0958","0.0536","","","0.1255","0.1509","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503571","21.4899","0.0013","39.043","0.002","16.3001","0.001","90","","100.915","0.001","90","","13428.9","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 F21 N6 O0 P4 Pt -","- C35 H34 F21 N6 P4 Pt -","- C280 H272 F168 N48 P32 Pt8 -","8","2","","López-Vidal, Eva M; Blanco, Víctor; García, Marcos D; Peinador, Carlos; Quintela, José M","Synthesis of platinum(II) metallocycles using microwave-assisted heating.","Organic letters","2012","14","2","580","583","10.1021/ol203191b","","","0.71073","MoKα","","0.0949","0.0722","","","0.1875","0.2015","","","","","","0.705","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503572","6.8563","0.0002","8.0054","0.0002","11.0535","0.0003","90","","102.385","0.001","90","","592.58","0.03","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H12 O5 -","- C13 H12 O5 -","- C26 H24 O10 -","2","1","","Liu, Yu; Ma, Shengming","Benzofurans or Isochromenes via the Ring-Opening Cyclization of Cyclopropene Derivatives with Organolithiums.","Organic letters","2012","14","3","720","723","10.1021/ol2032009","","","0.71073","MoKα","","0.0304","0.0299","","","0.0825","0.0834","","","","","","1.092","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503573","8.0662","0.0003","8.5553","0.0003","18.2403","0.0006","90","","90","","90","","1258.74","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C56 H56 O20 -","4","1","","Liu, Yu; Ma, Shengming","Benzofurans or Isochromenes via the Ring-Opening Cyclization of Cyclopropene Derivatives with Organolithiums.","Organic letters","2012","14","3","720","723","10.1021/ol2032009","","","0.71073","MoKα","","0.0342","0.031","","","0.0751","0.0775","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503574","17.309","0.005","16.096","0.005","8.0997","0.0016","90","","95.76","0.03","90","","2245.2","1.1","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C42 H40 Cu2 F12 N8 P2 -","- C42 H40 Cu2 F12 N8 P2 -","- C84 H80 Cu4 F24 N16 P4 -","2","0.25","","Pandey, Rampal; Gupta, Rakesh Kumar; Li, Pei-Zhou; Xu, Qiang; Misra, Arvind; Pandey, Daya Shankar","Photoassisted ""gate-lock"" fluorescence ""turn-on"" in a new Schiff base and coordination ability of E-Z isomers.","Organic letters","2012","14","2","592","595","10.1021/ol2032043","","","0.71073","MoKα","","0.0911","0.053","","","0.1345","0.1619","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503575","8.8884","0.0018","12.195","0.002","14.334","0.003","109.96","0.03","105.4","0.03","97.38","0.03","1366.2","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Co F6 N6 O5 P -","- C24 H18 Co F6 N6 O5 P -","- C48 H36 Co2 F12 N12 O10 P2 -","2","1","","Pandey, Rampal; Gupta, Rakesh Kumar; Li, Pei-Zhou; Xu, Qiang; Misra, Arvind; Pandey, Daya Shankar","Photoassisted ""gate-lock"" fluorescence ""turn-on"" in a new Schiff base and coordination ability of E-Z isomers.","Organic letters","2012","14","2","592","595","10.1021/ol2032043","","","0.71073","MoKα","","0.1831","0.0856","","","0.1527","0.2116","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503576","10.164","0.002","15.148","0.003","31.248","0.006","90","","90","","90","","4811.1","1.6","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C42 H48 N12 Ni2 O16 -","- C42 H48 N12 Ni2 O16 -","- C168 H192 N48 Ni8 O64 -","4","0.5","","Pandey, Rampal; Gupta, Rakesh Kumar; Li, Pei-Zhou; Xu, Qiang; Misra, Arvind; Pandey, Daya Shankar","Photoassisted ""gate-lock"" fluorescence ""turn-on"" in a new Schiff base and coordination ability of E-Z isomers.","Organic letters","2012","14","2","592","595","10.1021/ol2032043","","","0.71073","MoKα","","0.0651","0.0454","","","0.1243","0.1454","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503577","7.9975","0.0016","19.899","0.004","13.827","0.003","90","","100.76","0.03","90","","2161.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 Ag2 N10 O8 -","- C42 H44 Ag2 N10 O8 -","- C84 H88 Ag4 N20 O16 -","2","0.5","","Pandey, Rampal; Gupta, Rakesh Kumar; Li, Pei-Zhou; Xu, Qiang; Misra, Arvind; Pandey, Daya Shankar","Photoassisted ""gate-lock"" fluorescence ""turn-on"" in a new Schiff base and coordination ability of E-Z isomers.","Organic letters","2012","14","2","592","595","10.1021/ol2032043","","","0.71073","MoKα","","0.192","0.0709","","","0.1273","0.1661","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503578","10.8194","0.0009","8.4261","0.0007","20.2679","0.0017","90","","97.113","0.005","90","","1833.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N -","- C23 H25 N -","- C92 H100 N4 -","4","1","","Laouiti, Anouar; Rammah, Mohamed M.; Rammah, Mohamed B.; Marrot, Jérome; Couty, François; Evano, Gwilherm","Copper-catalyzed oxidative alkynylation of diaryl imines with terminal alkynes: a facile synthesis of ynimines.","Organic letters","2012","14","1","6","9","10.1021/ol2032152","","","0.71073","MoKα","","0.0989","0.0526","","","0.1429","0.1696","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503579","10.1859","0.0008","19.9122","0.0019","16.1404","0.0015","90","","94.415","0.004","90","","3263.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H32 F2 N2 -","- C43 H32 F2 N2 -","- C172 H128 F8 N8 -","4","1","","Laouiti, Anouar; Rammah, Mohamed M.; Rammah, Mohamed B.; Marrot, Jérome; Couty, François; Evano, Gwilherm","Copper-catalyzed oxidative alkynylation of diaryl imines with terminal alkynes: a facile synthesis of ynimines.","Organic letters","2012","14","1","6","9","10.1021/ol2032152","","","0.71073","MoKα","","0.1028","0.0494","","","0.0989","0.1187","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503580","7.601","0.003","12.967","0.005","13.991","0.005","90","","90","","90","","1379","0.9","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","1","","Seki, Tomoaki; Tanaka, Shinji; Kitamura, Masato","Enantioselective synthesis of pyrrolidine-, piperidine-, and azepane-type N-heterocycles with α-alkenyl substitution: the CpRu-catalyzed dehydrative intramolecular N-allylation approach.","Organic letters","2012","14","2","608","611","10.1021/ol203218d","","","0.7107","MoKα","","","0.0318","","","","0.099","","","","","","0.471","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503581","7.521","0.002","16.456","0.005","23.063","0.007","90","","90","","90","","2854.4","1.4","103","2","103","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C22 H14 -","- C22 H14 -","- C176 H112 -","8","2","","Kawasumi, Katsuaki; Mochida, Kenji; Kajino, Tomonori; Segawa, Yasutomo; Itami, Kenichiro","Pd(OAc)2/o-chloranil/M(OTf)n: a catalyst for the direct C-H arylation of polycyclic aromatic hydrocarbons with boryl-, silyl-, and unfunctionalized arenes.","Organic letters","2012","14","1","418","421","10.1021/ol203235w","","","0.7107","MoKα","","0.1377","0.0974","","","0.2133","0.2403","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503582","9.587","0.004","6.368","0.002","27.417","0.011","90","","96.254","0.006","90","","1663.8","1.1","103","2","103","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Kawasumi, Katsuaki; Mochida, Kenji; Kajino, Tomonori; Segawa, Yasutomo; Itami, Kenichiro","Pd(OAc)2/o-chloranil/M(OTf)n: a catalyst for the direct C-H arylation of polycyclic aromatic hydrocarbons with boryl-, silyl-, and unfunctionalized arenes.","Organic letters","2012","14","1","418","421","10.1021/ol203235w","","","0.7107","MoKα","","0.1623","0.0909","","","0.214","0.2694","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503583","11.241","0.004","6.823","0.002","11.298","0.004","90","","117.314","0.004","90","","769.9","0.4","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C36 H38 N2 O8 -","2","1","","Xu, Silong; Chen, Rongshun; Qin, Zifeng; Wu, Guiping; He, Zhengjie","Divergent amine-catalyzed [4 + 2] annulation of morita-baylis-hillman allylic acetates with electron-deficient alkenes.","Organic letters","2012","14","4","996","999","10.1021/ol2032569","","","0.71073","MoKα","","0.0387","0.0291","","","0.0559","0.0576","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503584","10.852","0.003","13.438","0.004","18.449","0.004","90","","104.594","0.009","90","","2603.6","1.2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br N O -","- C15 H12 Br N O -","- C120 H96 Br8 N8 O8 -","8","2","","Li, Bin; Ma, Jianfeng; Wang, Nuancheng; Feng, Huiliang; Xu, Shansheng; Wang, Baiquan","Ruthenium-catalyzed oxidative C-h bond olefination of N-methoxybenzamides using an oxidizing directing group.","Organic letters","2012","14","3","736","739","10.1021/ol2032575","","","0.71073","MoKα","","0.0873","0.0548","","","0.1226","0.1376","","","","","","1.003","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503585","10.299","0.003","8.974","0.003","12.702","0.004","90","","95.653","0.005","90","","1168.3","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Li, Bin; Ma, Jianfeng; Wang, Nuancheng; Feng, Huiliang; Xu, Shansheng; Wang, Baiquan","Ruthenium-catalyzed oxidative C-h bond olefination of N-methoxybenzamides using an oxidizing directing group.","Organic letters","2012","14","3","736","739","10.1021/ol2032575","","","0.71073","MoKα","","0.056","0.043","","","0.0999","0.1068","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503586","6.4053","0.0005","15.8952","0.0013","13.1993","0.0011","90","","101.104","0.007","90","","1318.71","0.19","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","","Mahendar, Lodi; Krishna, Jonnada; Reddy, Alavala Gopi Krishna; Ramulu, Bokka Venkat; Satyanarayana, Gedu","A domino palladium-catalyzed C-C and C-O bonds formation via dual O-H bond activation: synthesis of 6,6-dialkyl-6H-benzo[c]chromenes.","Organic letters","2012","14","2","628","631","10.1021/ol2032625","","","1.5418","CuKα","","0.0694","0.0577","","","0.1804","0.2037","","","","","","1.501","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503587","7.0822","0.0007","12.7318","0.001","17.576","0.0014","90","","90","","90","","1584.8","0.2","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C76 H88 O12 -","4","1","","Mahendar, Lodi; Krishna, Jonnada; Reddy, Alavala Gopi Krishna; Ramulu, Bokka Venkat; Satyanarayana, Gedu","A domino palladium-catalyzed C-C and C-O bonds formation via dual O-H bond activation: synthesis of 6,6-dialkyl-6H-benzo[c]chromenes.","Organic letters","2012","14","2","628","631","10.1021/ol2032625","","","1.5418","CuKα","","0.0996","0.0928","","","0.3066","0.3088","","","","","","2.264","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503588","19.5308","0.0011","10.1952","0.0006","24.8108","0.0014","90","","90","","90","","4940.3","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N2 O4 S -","- C27.96 H27.91 N2 O4 S -","- C223.68 H223.28 N16 O32 S8 -","8","1","","Wang, Liang; Guo, Wei; Zhang, Xiao-Xiao; Xia, Xu-Dong; Xiao, Wen-Jing","Synthesis of Indolo [1,2-a]Quinoxalines via a Pd-Catalyzed Regioselective C-H Olefination/Cyclization Sequence.","Organic letters","2012","14","3","740","743","10.1021/ol203275b","","","0.71073","MoKα","","0.0755","0.0633","","","0.1329","0.1376","","","","","","1.198","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503589","6.6099","0.0013","10.144","0.002","14.147","0.003","102.26","0.03","92.21","0.03","99.96","0.03","910.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 Cl N2 O3 -","- C22 H15 Cl N2 O3 -","- C44 H30 Cl2 N4 O6 -","2","1","","Li, Yang; Zhang, Xi-Sha; Chen, Kang; He, Ke-Han; Pan, Fei; Li, Bi-Jie; Shi, Zhang-Jie","N-Directing group assisted rhodium-catalyzed aryl C-H addition to aryl aldehydes.","Organic letters","2012","14","2","636","639","10.1021/ol2032784","","","0.71073","MoKα","","0.0558","0.0507","","","0.1171","0.1246","","","","","","1.166","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503590","16.142","0.003","8.118","0.004","20.461","0.006","90","","97.661","0.006","90","","2657.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl N2 O2 -","- C13 H15 Cl N2 O2 -","- C104 H120 Cl8 N16 O16 -","8","2","","Xiang, Dexuan; Xin, Xiaoqing; Liu, Xu; Zhang, Rui; Yang, Jiming; Dong, Dewen","Regioselective synthesis of 3-arylamino- and 5-arylaminoisoxazoles from enaminones.","Organic letters","2012","14","2","644","647","10.1021/ol203282h","","","0.71069","MoKα","","0.0954","0.0557","","","0.1171","0.1352","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503591","3.7429","0.0008","15.815","0.003","13.99","0.003","90","","93.947","0.014","90","","826.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 N4 -","- C26 H12 N4 -","- C52 H24 N8 -","2","0.5","","Fan, Jian; Zhang, Lei; Briseno, Alejandro L.; Wudl, Fred","Synthesis and characterization of 7,8,15,16-tetraazaterrylene.","Organic letters","2012","14","4","1024","1026","10.1021/ol203285n","","","0.71073","MoKα","","0.0571","0.0443","","","0.1219","0.1313","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503592","10.9498","0.0002","10.9498","0.0002","77.5761","0.0019","90","","90","","120","","8055.1","0.3","240","2","240","2","","","","","","","","6","P 61","P 61","169","","","","- C23.5 H33 Cl I N O6 -","- C23.5 H33 Cl I N O6 -","- C282 H396 Cl12 I12 N12 O72 -","12","2","","Fairhurst, Nathan W. G.; Mahon, Mary F.; Munday, Rachel H.; Carbery, David R.","Remote stereocontrol in [3,3]-sigmatropic rearrangements: application to the total synthesis of the immunosuppressant mycestericin g.","Organic letters","2012","14","3","756","759","10.1021/ol203300k","","","1.54184","CuKα","","0.0533","0.0498","","","0.1255","0.1283","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503593","11.8866","0.0008","15.5331","0.001","7.554","0.0005","90","","104.626","0.001","90","","1349.54","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Organic","Organic","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Xu, Xinfang; Shabashov, Dmitry; Zavalij, Peter Y.; Doyle, Michael P.","Unexpected Catalytic Reactions of Silyl-Protected Enol Diazoacetates with Nitrile Oxides That Form 5-Arylaminofuran-2(3H)-one-4-carboxylates.","Organic letters","2012","14","3","800","803","10.1021/ol203331r","","","0.71073","MoKα","","0.0442","0.0407","","","0.08","0.0816","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503594","15.1773","0.0009","9.148","0.0006","16.963","0.001","90","","94.546","0.001","90","","2347.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Organic","Organic","","- C21 H33 N O5 Si -","- C21 H33 N O5 Si -","- C84 H132 N4 O20 Si4 -","4","1","","Xu, Xinfang; Shabashov, Dmitry; Zavalij, Peter Y.; Doyle, Michael P.","Unexpected Catalytic Reactions of Silyl-Protected Enol Diazoacetates with Nitrile Oxides That Form 5-Arylaminofuran-2(3H)-one-4-carboxylates.","Organic letters","2012","14","3","800","803","10.1021/ol203331r","","","0.71073","MoKα","","0.0489","0.0381","","","0.0729","0.0762","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503595","8.6741","0.0004","12.0321","0.0005","19.0097","0.0008","96.795","0.002","102.509","0.002","99.276","0.002","1887.24","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","2 in manuscript","","","- C39 H49 N5 O Si2 -","- C39 H49 N5 O Si2 -","- C78 H98 N10 O2 Si4 -","2","1","","Engelhart, Jens U.; Lindner, Benjamin D.; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Large azaacenes: pyridine rings reacting like carbonyl groups.","Organic letters","2012","14","4","1008","1011","10.1021/ol203334u","","","0.71073","MoKα","","0.0861","0.0546","","","0.1348","0.1521","","","","","","1.027","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503596","8.7703","0.0002","9.2477","0.0002","12.0469","0.0003","100.055","0.001","102.351","0.002","115.531","0.001","820.86","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C34 H42 N2 O10 -","2","1","","Boyce, Gregory R.; Liu, Shubin; Johnson, Jeffrey S.","Construction of cyclopentanol derivatives via three-component coupling of silyl glyoxylates, acetylides, and nitroalkenes.","Organic letters","2012","14","2","652","655","10.1021/ol2033527","","","1.54178","CuKα","","0.0411","0.0381","","","0.1039","0.1073","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503597","9.6171","0.0002","12.0518","0.0003","12.9794","0.0003","69.417","0.002","87.631","0.001","73.582","0.002","1348.08","0.06","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H41 N O5 Si -","- C26 H41 N O5 Si -","- C52 H82 N2 O10 Si2 -","2","1","","Boyce, Gregory R.; Liu, Shubin; Johnson, Jeffrey S.","Construction of cyclopentanol derivatives via three-component coupling of silyl glyoxylates, acetylides, and nitroalkenes.","Organic letters","2012","14","2","652","655","10.1021/ol2033527","","","1.54178","CUKα","","0.07","0.0592","","","0.1534","0.1644","","","","","","1.037","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503598","16.5126","0.0011","6.9927","0.0005","20.1398","0.0013","90","","112.999","0.001","90","","2140.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Me_Oki_D_1115","","","- C24 H34 O4 -","- C24 H34 O4 -","- C96 H136 O16 -","4","1","","Niu, Dawen; Hoye, Thomas R.","A concise total synthesis of (±)- and (-)-okilactomycin d.","Organic letters","2012","14","3","828","831","10.1021/ol203355g","","","0.71073","MoKα","","0.0749","0.0442","","","0.1065","0.1299","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503599","10.1195","0.0005","13.0223","0.0006","16.5396","0.0007","90","","103.812","0.001","90","","2116.55","0.17","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 O4 -","- C24 H34 O4 -","- C96 H136 O16 -","4","1","","Niu, Dawen; Hoye, Thomas R.","A concise total synthesis of (±)- and (-)-okilactomycin d.","Organic letters","2012","14","3","828","831","10.1021/ol203355g","","","0.71073","MoKα","","0.0437","0.0386","","","0.1028","0.1078","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503600","7.9894","0.0002","11.0136","0.0002","14.6649","0.0003","90.994","0.001","105.668","0.001","103.389","0.001","1204.27","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H23 I N2 O8 -","- C23 H23 I N2 O8 -","- C46 H46 I2 N4 O16 -","2","2","","Shan, Mingde; Kishi, Yoshito","Concise and highly stereoselective synthesis of the C20-C26 building block of halichondrins and Eribulin","Organic Letters","2012","14","2","660","663","10.1021/ol203373d","","","0.71073","MoKα","","0.0489","0.036","","","0.0479","0.0505","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503601","5.9241","0.0006","15.5212","0.0015","18.2461","0.0017","90","","90","","90","","1677.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl O3 -","- C21 H17 Cl O3 -","- C84 H68 Cl4 O12 -","4","1","","Liu, Guansai; Wilkerson, Phillip D.; Toth, Christopher A.; Xu, Hao","Highly enantioselective cyclizations of conjugated trienes with low catalyst loadings: a robust chiral N-heterocyclic carbene enabled by acetic Acid cocatalyst.","Organic letters","2012","14","3","858","861","10.1021/ol203375y","","","0.71073","MoKα","","0.0277","0.0268","","","0.0719","0.0726","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503602","10.2548","0.0011","13.2868","0.0015","14.5076","0.0016","112.753","0.002","97.302","0.002","92.737","0.002","1797.9","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.75 H15 B0.5 Cl2 F N -","- C21.75 H15 B0.5 Cl2 F N -","- C87 H60 B2 Cl8 F4 N4 -","4","2","","Hayashi, Yosuke; Obata, Naoki; Tamaru, Masatomo; Yamaguchi, Shigeru; Matsuo, Yutaka; Saeki, Akinori; Seki, Shu; Kureishi, Yuka; Saito, Shohei; Yamaguchi, Shigehiro; Shinokubo, Hiroshi","Facile Synthesis of Biphenyl-Fused BODIPY and Its Property.","Organic letters","2012","14","3","866","869","10.1021/ol2033916","","","0.71073","MoKα","","0.0974","0.0895","","","0.2053","0.2109","","","","","","1.076","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503603","16.0215","0.0015","11.2646","0.0011","7.0956","0.0007","90","","90","","90","","1280.6","0.2","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","5,14-dihydro-1,4,5,14-tetraazapentacene","","- C18 H12 N4 -","- C18 H12 N4 -","- C72 H48 N16 -","4","0.5","","He, Zikai; Liu, Danqing; Mao, Renxin; Tang, Qin; Miao, Qian","Hydrogen-bonded dihydrotetraazapentacenes.","Organic letters","2012","14","4","1050","1053","10.1021/ol203404q","","","0.71073","MoKα","","0.0691","0.0444","","","0.1211","0.1424","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503604","7.5446","0.0005","7.8619","0.0006","16.904","0.0012","78.243","0.002","89.12","0.002","79.67","0.002","965.48","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6,13-bis((triisopropylsilyl)ethynyl)-5,14-dihydro-1,4,5,14-tetraazapentacene","","- C40 H52 N4 Si2 -","- C40 H52 N4 Si2 -","- C40 H52 N4 Si2 -","1","0.5","","He, Zikai; Liu, Danqing; Mao, Renxin; Tang, Qin; Miao, Qian","Hydrogen-bonded dihydrotetraazapentacenes.","Organic letters","2012","14","4","1050","1053","10.1021/ol203404q","","","0.71073","MoKα","","0.0945","0.0705","","","0.1986","0.2208","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503605","9.815","0.001","11.972","0.001","24.772","0.003","90","","90","","90","","2910.8","0.5","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C112 H184 N8 O32 -","8","2","","André, Christophe; Legrand, Baptiste; Deng, Cheng; Didierjean, Claude; Pickaert, Guillaume; Martinez, Jean; Averlant-Petit, Marie Christine; Amblard, Muriel; Calmes, Monique","(S)-ABOC: A Rigid Bicyclic β-Amino Acid as Turn Inducer.","Organic letters","2012","14","4","960","963","10.1021/ol203406v","","x-ray","0.71073","MoKα","","0.0956","0.0502","","","0.0911","0.109","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503606","10.7803","0.0004","9.3194","0.0004","15.7897","0.0006","90","","107.214","0.003","90","","1515.27","0.11","110","2","110","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C32 H42 N4 O5 -","- C32 H42 N4 O5 -","- C64 H84 N8 O10 -","2","1","","André, Christophe; Legrand, Baptiste; Deng, Cheng; Didierjean, Claude; Pickaert, Guillaume; Martinez, Jean; Averlant-Petit, Marie Christine; Amblard, Muriel; Calmes, Monique","(S)-ABOC: A Rigid Bicyclic β-Amino Acid as Turn Inducer.","Organic letters","2012","14","4","960","963","10.1021/ol203406v","","x-ray","0.71073","MoKα","","0.0465","0.0422","","","0.0922","0.0954","","","","","","1.075","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503607","10.1761","0.0003","16.4292","0.0003","16.8698","0.0005","90","","98.939","0.001","90","","2786.13","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H31 Co O2 -","- C37 H31 Co O2 -","- C148 H124 Co4 O8 -","4","1","","Cassar, Doyle J.; Nagaradja, Elisabeth; Butler, David C. D.; Villemin, Didier; Richards, Christopher J.","Regioselective, Stereoselective, and Conformationally Controlled Synthesis of (η(4)-Tetraarylcyclobutadiene)(η(5)-carbomethoxycyclopentadienyl)cobalt Metallocenes.","Organic letters","2012","14","3","894","897","10.1021/ol203415r","","","0.71073","MoKα","","0.0702","0.0442","","","0.0928","0.1033","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503608","11.0108","0.0003","14.7106","0.0004","19.4035","0.0005","90","","90.016","0.001","90","","3142.89","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 Co O2 -","- C41 H39 Co O2 -","- C164 H156 Co4 O8 -","4","1","","Cassar, Doyle J.; Nagaradja, Elisabeth; Butler, David C. D.; Villemin, Didier; Richards, Christopher J.","Regioselective, Stereoselective, and Conformationally Controlled Synthesis of (η(4)-Tetraarylcyclobutadiene)(η(5)-carbomethoxycyclopentadienyl)cobalt Metallocenes.","Organic letters","2012","14","3","894","897","10.1021/ol203415r","","","0.71075","MoKα","","0.0371","0.0353","","","0.098","0.1009","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503609","15.6147","0.0003","15.2102","0.0004","19.6534","0.0005","90","","94.109","0.001","90","","4655.74","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H43 Co O6 -","- C63 H43 Co O6 -","- C252 H172 Co4 O24 -","4","1","","Cassar, Doyle J.; Nagaradja, Elisabeth; Butler, David C. D.; Villemin, Didier; Richards, Christopher J.","Regioselective, Stereoselective, and Conformationally Controlled Synthesis of (η(4)-Tetraarylcyclobutadiene)(η(5)-carbomethoxycyclopentadienyl)cobalt Metallocenes.","Organic letters","2012","14","3","894","897","10.1021/ol203415r","","","0.71075","MoKα","","0.0845","0.0593","","","0.119","0.1447","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503610","8.9698","0.0018","18.143","0.004","9.6888","0.0019","90","","91.91","0.03","90","","1575.9","0.6","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 -","- C22 H18 -","- C88 H72 -","4","1","","Zhou, Lei; Ye, Fei; Zhang, Yan; Wang, Jianbo","Cyclopropylmethyl palladium species from carbene migratory insertion: new routes to 1,3-butadienes.","Organic letters","2012","14","3","922","925","10.1021/ol2034405","","","0.71073","MoKα","","0.0794","0.0713","","","0.1777","0.1894","","","","","","1.291","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503611","12.7522","0.0009","7.1242","0.0005","13.8104","0.001","90","","110.072","0.001","90","","1178.46","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H27 N3 O3 -","- C28 H27 N3 O3 -","- C56 H54 N6 O6 -","2","1","","Paul, Bishwajit; Butterfoss, Glenn L.; Boswell, Mikki G.; Huang, Mia L.; Bonneau, Richard; Wolf, Christian; Kirshenbaum, Kent","N-naphthyl peptoid foldamers exhibiting atropisomerism.","Organic letters","2012","14","3","926","929","10.1021/ol203452f","","","0.71073","MoKα","","0.0465","0.0357","","","0.0786","0.084","","","","","","1.025","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503612","11.2179","0.0013","9.3563","0.0011","23.908","0.003","90","","102.239","0.002","90","","2452.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H52 N6 O6.35 -","- C56 H52 N6 O6.352 -","- C112 H104 N12 O12.704 -","2","0.5","","Paul, Bishwajit; Butterfoss, Glenn L.; Boswell, Mikki G.; Huang, Mia L.; Bonneau, Richard; Wolf, Christian; Kirshenbaum, Kent","N-naphthyl peptoid foldamers exhibiting atropisomerism.","Organic letters","2012","14","3","926","929","10.1021/ol203452f","","","0.71073","MoKα","","0.1017","0.091","","","0.2358","0.2416","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503613","8.533","0.004","12.505","0.005","14.664","0.006","72.58","0.007","77.245","0.006","78.328","0.006","1440.4","1.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H42 Br N O4 Si -","- C29 H42 Br N O4 Si -","- C58 H84 Br2 N2 O8 Si2 -","2","1","","Feldman, Ken S.; Antoline, Joshua F.","Allenyl azide cycloaddition chemistry: application to the total synthesis of (±)-meloscine.","Organic letters","2012","14","3","934","937","10.1021/ol203463n","","","0.71073","MoKα","","0.1186","0.0809","","","0.2359","0.2617","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503614","11.567","0.003","6.2104","0.0014","15.2","0.003","90","","105.426","0.003","90","","1052.6","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 Cl3 N2 O5 -","- C16 H25 Cl3 N2 O5 -","- C32 H50 Cl6 N4 O10 -","2","1","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0613","0.0482","","","0.117","0.1253","","","","","","1.076","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503615","9.3943","0.0008","9.5053","0.0008","10.3313","0.0009","84.826","0.001","72.368","0.001","65.433","0.001","798.93","0.12","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H25 N O4 -","- C14 H25 N O4 -","- C28 H50 N2 O8 -","2","1","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0512","0.045","","","0.1234","0.1286","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503616","11.1228","0.0007","18.7458","0.0011","20.9423","0.0013","90","","90","","90","","4366.6","0.5","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 Cl3 N2 O5 -","- C16 H25 Cl3 N2 O5 -","- C128 H200 Cl24 N16 O40 -","8","2","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0448","0.0391","","","0.1002","0.1049","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503617","9.8718","0.0007","10.072","0.0008","16.2663","0.0012","90","","90","","90","","1617.3","0.2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O5 -","- C14 H25 N O5 -","- C56 H100 N4 O20 -","4","1","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0553","0.0545","","","0.1793","0.1799","","","","","","1.211","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503618","11.21","0.006","18.823","0.009","20.925","0.01","90","","90","","90","","4415","4","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 Cl3 N2 O5 -","- C16 H25 Cl3 N2 O5 -","- C128 H200 Cl24 N16 O40 -","8","2","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.113","0.0748","","","0.1418","0.1576","","","","","","1.101","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503619","11.454","0.009","6.186","0.005","15.081","0.012","90","","105.582","0.012","90","","1029.3","1.4","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 Cl3 N2 O5 -","- C16 H25 Cl3 N2 O5 -","- C32 H50 Cl6 N4 O10 -","2","1","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0778","0.071","","","0.1791","0.1875","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503620","6.03188","0.00017","12.4097","0.0004","25.1549","0.0006","90","","90","","90","","1882.94","0.09","123","0.1","123","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","1","","Kemppainen, Eeva K.; Sahoo, Gokarneswar; Valkonen, Arto; Pihko, Petri M.","Mukaiyama-Michael reactions with acrolein and methacrolein: a catalytic enantioselective synthesis of the c17-c28 fragment of pectenotoxins.","Organic letters","2012","14","4","1086","1089","10.1021/ol203486p","","","1.54184","CuKα","","0.0444","0.0373","","","0.0883","0.0914","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503621","28.568","0.007","6.3111","0.0016","7.901","0.003","90","","96.49","0.04","90","","1415.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C68 H56 Br4 N4 O4 -","4","1","","Joshi, Megha; Tiwari, Rakesh; Verma, Akhilesh Kumar","Regioselective Preferential Nucleophilic Addition of N-Heterocycles onto Haloarylalkynes over N-Arylation of Aryl Halides.","Organic letters","2012","14","4","1106","1109","10.1021/ol203491p","","","0.71073","MoKα","","0.1571","0.1248","","","0.3341","0.3858","","","","","","1.28","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503622","10.964","0.004","10.964","0.004","13.249","0.005","90","","90","","90","","1592.7","1","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C17 H13 Cl O2 S -","- C17 H15 Cl O2 S -","- C68 H60 Cl4 O8 S4 -","4","1","","Ling, Jun-Bing; Su, Yu; Zhu, Hai-Liang; Wang, Guan-Yu; Xu, Peng-Fei","Hydrogen-bond-mediated cascade reaction involving chalcones: facile synthesis of enantioenriched trisubstituted tetrahydrothiophenes.","Organic letters","2012","14","4","1090","1093","10.1021/ol2034959","","","0.71073","MoKα","","0.0442","0.0416","","","0.1217","0.1262","","","","","","0.87","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503623","13.7792","0.0017","39.505","0.005","6.2897","0.0008","90","","90","","90","","3423.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","pallambin A","","","- C19 H22 O4 -","- C19 H22 O4 -","- C152 H176 O32 -","8","2","","Wang, Li-Ning; Zhang, Jiao-Zhen; Li, Xia; Wang, Xiao-Ning; Xie, Chun-Feng; Zhou, Jin-Chuan; Lou, Hong-Xiang","Pallambins A and B, Unprecedented Hexacyclic 19-nor-Secolabdane Diterpenoids from the Chinese Liverwort Pallavicinia ambigua.","Organic letters","2012","14","4","1102","1105","10.1021/ol3000124","","","0.71069","MoKα","","0.1445","0.0728","","","0.1814","0.2212","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503624","8.1441","0.0006","28.387","0.002","7.2652","0.0006","90","","90","","90","","1679.6","0.2","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","pallambin D","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Wang, Li-Ning; Zhang, Jiao-Zhen; Li, Xia; Wang, Xiao-Ning; Xie, Chun-Feng; Zhou, Jin-Chuan; Lou, Hong-Xiang","Pallambins A and B, Unprecedented Hexacyclic 19-nor-Secolabdane Diterpenoids from the Chinese Liverwort Pallavicinia ambigua.","Organic letters","2012","14","4","1102","1105","10.1021/ol3000124","","","0.71069","MoKα","","0.089","0.0461","","","0.0975","0.1171","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503625","13.058","0.0005","13.0653","0.0005","14.077","0.0006","97.904","0.004","105.81","0.004","112.461","0.004","2055.14","0.18","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N3 O3 -","- C19 H23.001 N3 O3 -","- C76 H92.004 N12 O12 -","4","2","","Doveston, Richard G.; Steendam, René; Jones, Stuart; Taylor, Richard J. K.","Total synthesis of an oxepine natural product, (±)-janoxepin.","Organic letters","2012","14","4","1122","1125","10.1021/ol300039x","","","0.7107","MoKα","","0.0934","0.0686","","","0.1927","0.2104","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503626","9.28387","0.00017","10.7517","0.00019","11.9589","0.0008","90","","94.002","0.007","90","","1190.8","0.09","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 F3 N O3 -","- C10 H16 F3 N O3 -","- C40 H64 F12 N4 O12 -","4","2","","Romney, David K.; Miller, Scott J.","A Peptide-embedded trifluoromethyl ketone catalyst for enantioselective epoxidation.","Organic letters","2012","14","4","1138","1141","10.1021/ol3000712","","","1.54187","CuKα","","","0.0228","","","","0.0539","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503627","17.325","0.01","4.393","0.003","20.866","0.012","90","","92.132","0.008","90","","1587","1.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Br2 O4 -","- C16 H10 Br2 O4 -","- C64 H40 Br8 O16 -","4","1","","Wei, Wei; Wang, Yao; Yin, Jianpeng; Xue, Jijun; Li, Ying","Construction of Aromatic [5,5] Spiroketals via Hypoiodite-Catalyzed Etherification Combined in Relay Cascades.","Organic letters","2012","14","4","1158","1161","10.1021/ol300107v","","","0.71073","MoKα","","0.0953","0.0468","","","0.1052","0.1231","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503628","19.247","0.008","4.881","0.002","16.331","0.007","90","","112.154","0.004","90","","1420.9","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br O4 -","- C16 H11 Br O4 -","- C64 H44 Br4 O16 -","4","1","","Wei, Wei; Wang, Yao; Yin, Jianpeng; Xue, Jijun; Li, Ying","Construction of Aromatic [5,5] Spiroketals via Hypoiodite-Catalyzed Etherification Combined in Relay Cascades.","Organic letters","2012","14","4","1158","1161","10.1021/ol300107v","","","0.71073","MoKα","","0.1687","0.0554","","","0.0916","0.1212","","","","","","0.995","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503629","15.278","0.002","15.133","0.002","15.916","0.002","90","","90","","90","","3679.8","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H22 N2 O5 -","- C20 H21 N2 O5 -","- C160 H168 N16 O40 -","8","1","","Chen, Fei; Feng, Zhang; He, Chun-Yang; Wang, Hao-Yang; Guo, Yin-Long; Zhang, Xingang","Pd-catalyzed dehydrogenative cross-coupling of polyfluoroarenes with heteroatom-substituted enones.","Organic letters","2012","14","4","1176","1179","10.1021/ol300240k","","","0.71073","MoKα","","0.1344","0.0737","","","0.2164","0.2654","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503630","11.299","0.003","11.299","0.003","30.405","0.008","90","","90","","120","","3361.7","1.5","293","2","293","2","","","","","","","synthesis as described","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C35 H46 Br2 N2 O15 -","- C41 H46 Br2 N2 O15 -","- C123 H138 Br6 N6 O45 -","3","0.5","","Gonella, Silvia; Mahieux, Julien; Sanselme, Morgane; Coquerel, Gérard","Spotting a Conglomerate Is Just Halfway to Achieving a Preparative Resolution by Preferential Crystallization","Organic Process Research & Development","2012","16","2","286","","10.1021/op200092f","","x-ray","0.71073","MoKα","","0.0977","0.0503","","","0.1167","0.131","","","","","","0.856","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503631","5.7819","0.0011","9.6587","0.0018","13.317","0.003","79.109","0.003","82.475","0.003","86.782","0.003","723.6","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C28 H32 Cl2 N2 O8 -","- C28 H32 Cl2 N2 O8 -","- C28 H32 Cl2 N2 O8 -","1","1","","Gonella, Silvia; Mahieux, Julien; Sanselme, Morgane; Coquerel, Gérard","Spotting a Conglomerate Is Just Halfway to Achieving a Preparative Resolution by Preferential Crystallization","Organic Process Research & Development","2012","16","2","286","","10.1021/op200092f","","x-ray","0.71073","MoKα","","0.0394","0.0387","","","0.1023","0.1033","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503632","44.415","0.0009","10.361","0.0003","27.44","0.0008","90","","127.384","0.0009","90","","10033.6","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","OsTMeDMPEHFB","OsTMeDMPEHFB","","- C46 H48 F14 N4 O4 Os P2 -","- C46 H48 F14 N4 O4 Os P2 -","- C368 H384 F112 N32 O32 Os8 P16 -","8","1","","Carlson, Brenden; Bullock, John P.; Hance, Timothy M.; Phelan, Gregory D.","Barometric sensitive coatings based upon osmium complexes dissolved in a fluoroacrylic polymer","Analytical chemistry","2009","81","1","262","267","10.1021/ac801945u","","","0.71073","MoKα","","0.1933","0.0597","","","0.1199","0.1582","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503633","19.0902","0.0011","14.6852","0.0008","20.6888","0.0012","90","","100.591","0.001","90","","5701.2","0.6","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[R1R2Re(CO)3] + acetone","","","- C24 H19 F3 N5 O9 Re -","- C24 H19 F3 N5 O9 Re -","- C192 H152 F24 N40 O72 Re8 -","8","1","","He, Haiyang; Morely, Jennifer E.; Silva-Lopez, Elsa; Bottenus, Brienne; Montajano, Maribel; Fugate, Glenn A.; Twamley, Brendan; Benny, Paul D.","Synthesis and characterization of nonsteroidal-linked M(CO)(3)+ (M = 99mTc, Re) compounds based on the androgen receptor targeting molecule flutamide.","Bioconjugate chemistry","2009","20","1","78","86","10.1021/bc8003183","","x-ray","0.71073","MoKα","","0.0233","0.0201","","","0.0478","0.0495","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503634","9.1421","0.001","20.355","0.002","9.6776","0.001","90","","90.67","0.001","90","","1800.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N O10 P -","- C15 H16 N O10 P -","- C60 H64 N4 O40 P4 -","4","1","","Rostamnia, Sadegh; Alizadeh, Abdolali; Zhu, Long-Guan","Novel Three-Component Route to Diastereoselective Synthesis of Trisubstituted Vinylphosphonates Using Phosphites, Acetylenic Esters, and Aroyl Chlorides","Journal of Combinatorial Chemistry","2009","11","1","143","","10.1021/cc800128j","","","0.71073","MoKα","","0.0551","0.0448","","","0.1121","0.1189","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503635","13.466","0.005","5.758","0.002","7.713","0.003","90","","93.049","0.009","90","","597.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C32 H24 N4 -","2","0.5","","Mei, Luo; Hai, Zhang Jia; Jie, Sun; Ming, Zhou Shi; Hao, Yin; Liang, Hu Ke","Modular synthesis of oxazolines and their derivatives.","Journal of combinatorial chemistry","2009","11","2","220","227","10.1021/cc8001537","","","0.71073","MoKα","","0.0879","0.0633","","","0.1564","0.1704","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503636","5.8138","0.0015","9.773","0.003","15.314","0.004","84.585","0.004","88.44","0.005","79.196","0.005","850.8","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C36 H48 N4 O4 -","2","2","","Mei, Luo; Hai, Zhang Jia; Jie, Sun; Ming, Zhou Shi; Hao, Yin; Liang, Hu Ke","Modular synthesis of oxazolines and their derivatives.","Journal of combinatorial chemistry","2009","11","2","220","227","10.1021/cc8001537","","","0.71073","MoKα","","0.0751","0.0592","","","0.1334","0.1546","","","","","","0.995","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503637","7.8004","0.0007","11.6387","0.0011","30.824","0.003","90","","90","","90","","2798.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C136 H112 N16 O8 -","8","2","","Mei, Luo; Hai, Zhang Jia; Jie, Sun; Ming, Zhou Shi; Hao, Yin; Liang, Hu Ke","Modular synthesis of oxazolines and their derivatives.","Journal of combinatorial chemistry","2009","11","2","220","227","10.1021/cc8001537","","","0.71073","MoKα","","0.0849","0.0614","","","0.1328","0.1449","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503638","7.147","0.001","12.501","0.0014","13.094","0.0016","118.506","0.002","99.047","0.001","93.074","0.001","1004","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Br2 N6 O6 -","- C42 H40 Br2 N6 O6 -","- C42 H40 Br2 N6 O6 -","1","0.5","","Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng","Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction.","Journal of combinatorial chemistry","2009","11","2","310","314","10.1021/cc800175n","","","0.71073","MoKα","","0.1175","0.0602","","","0.1406","0.1545","","","","","","1.055","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503639","11.6798","0.001","14.8279","0.0016","11.8422","0.0012","90","","115.022","0.002","90","","1858.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N3 O3 -","- C19 H23 N3 O3 -","- C76 H92 N12 O12 -","4","1","","Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng","Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction.","Journal of combinatorial chemistry","2009","11","2","310","314","10.1021/cc800175n","","","0.71073","MoKα","","0.0932","0.0451","","","0.112","0.1455","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503640","7.1563","0.0012","19.637","0.002","13.2746","0.0018","90","","101.74","0.002","90","","1826.4","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C80 H100 N12 O12 -","4","1","","Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng","Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction.","Journal of combinatorial chemistry","2009","11","2","310","314","10.1021/cc800175n","","","0.71073","MoKα","","0.0961","0.0476","","","0.0926","0.1042","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503641","6.8061","0.0008","22.23","0.003","14.9656","0.0016","90","","99.243","0.002","90","","2234.9","0.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O9 -","- C25 H22 O9 -","- C100 H88 O36 -","4","1","","Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng","Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction.","Journal of combinatorial chemistry","2009","11","2","310","314","10.1021/cc800175n","","","0.71073","MoKα","","0.3029","0.0943","","","0.1917","0.2599","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503642","8.0245","0.0005","9.6791","0.0006","11.3233","0.0007","91.953","0.002","106.421","0.001","100.371","0.002","826.45","0.09","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","7-benzyl-5,6-dimethyl-2-phenylpyrrolo[2,3-d][1,3]oxazin-4(7H)-one","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C42 H36 N4 O4 -","2","1","","Che, Jun; Raghavendra, Makam S.; Lam, Yulin","Traceless Solid-Phase Synthesis of Heteroannulated 1,3-Oxazin-6-ones","Journal of Combinatorial Chemistry","2009","11","3","378","","10.1021/cc800193r","","","0.71073","MoKα","","0.0858","0.0575","","","0.1392","0.1536","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503643","25.657","0.002","25.657","0.002","25.657","0.002","90","","90","","90","","16890","2","298","2","298","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- C24 H28.42 Br2 N5 O4.71 -","- C24 H28.4133 Br2 N5 O4.70833 -","- C576 H681.92 Br48 N120 O113 -","24","1","","Han, Zheng-Guo; Zhang, Ge; Jiang, Bo; Ma, Ning; Shi, Feng; Tu, Shu-Jiang","Diversity Synthesis of Pyrimido[4,5-b][1,6]naphthyridine and Its Derivatives under Microwave Irradiation","Journal of Combinatorial Chemistry","2009","11","5","809","","10.1021/cc800196u","","","0.71073","MoKα","","0.2899","0.0709","","","0.1255","0.1538","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503644","10.7187","0.0016","10.9704","0.0019","11.153","0.002","109.785","0.002","102.364","0.001","104.201","0.001","1131.1","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N4 S2 -","- C26 H22 N4 S2 -","- C52 H44 N8 S4 -","2","1","","Han, Zheng-Guo; Zhang, Ge; Jiang, Bo; Ma, Ning; Shi, Feng; Tu, Shu-Jiang","Diversity Synthesis of Pyrimido[4,5-b][1,6]naphthyridine and Its Derivatives under Microwave Irradiation","Journal of Combinatorial Chemistry","2009","11","5","809","","10.1021/cc800196u","","","0.71073","MoKα","","0.0983","0.0574","","","0.1549","0.1764","","","","","","0.997","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503645","9.8714","0.0013","16.11","0.02","16.131","0.002","95.159","0.001","103.578","0.002","91.954","0.001","2479","3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N4 O1.5 -","- C28 H28 N4 O1.5 -","- C112 H112 N16 O6 -","4","2","","Han, Zheng-Guo; Zhang, Ge; Jiang, Bo; Ma, Ning; Shi, Feng; Tu, Shu-Jiang","Diversity Synthesis of Pyrimido[4,5-b][1,6]naphthyridine and Its Derivatives under Microwave Irradiation","Journal of Combinatorial Chemistry","2009","11","5","809","","10.1021/cc800196u","","","0.71073","MoKα","","0.24","0.0837","","","0.1784","0.2166","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503646","11.7147","0.0014","6.9466","0.0009","20.785","0.002","90","","90","","90","","1691.4","0.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H17 Cl N2 O2 -","- C19 H17 Cl N2 O2 -","- C76 H68 Cl4 N8 O8 -","4","0.5","","Tu, Shu-Jiang; Zhang, Xiao-Hong; Han, Zheng-Guo; Cao, Xu-Dong; Wu, Shan-Shan; Yan, Shu; Hao, Wen-Juan; Zhang, Ge; Ma, Ning","Synthesis of Isoxazolo[5,4-b]pyridines by Microwave-Assisted Multi-Component Reactions in Water","Journal of Combinatorial Chemistry","2009","11","3","428","","10.1021/cc800212v","","","0.71073","MoKα","","0.0858","0.056","","","0.1294","0.1458","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503647","13.8513","0.0016","7.6116","0.0011","12.6732","0.0015","90","","95.592","0.001","90","","1329.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C64 H48 N8 O16 -","4","1","","Tu, Shu-Jiang; Zhang, Xiao-Hong; Han, Zheng-Guo; Cao, Xu-Dong; Wu, Shan-Shan; Yan, Shu; Hao, Wen-Juan; Zhang, Ge; Ma, Ning","Synthesis of Isoxazolo[5,4-b]pyridines by Microwave-Assisted Multi-Component Reactions in Water","Journal of Combinatorial Chemistry","2009","11","3","428","","10.1021/cc800212v","","","0.71073","MoKα","","0.1284","0.0575","","","0.0806","0.0934","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503648","8.0812","0.0006","20.3378","0.0016","11.4913","0.0008","90","","94.843","0.004","90","","1881.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O2 S -","- C24 H21 N O2 S -","- C96 H84 N4 O8 S4 -","4","1","","Wang, Xiang-Shan; Li, Qing; Wu, Jian-Rong; Tu, Shu-Jiang","Efficient Method for the Synthesis of Pyranoquinoline, Thiopyranoquinoline, Thienoquinoline, and Naphtho[2,7]naphthyridine Derivatives Catalyzed by Iodine","Journal of Combinatorial Chemistry","2009","11","3","433","","10.1021/cc900026x","","","0.71073","MoKα","","0.0961","0.0468","","","0.1153","0.131","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503649","28.2746","0.0006","7.6602","0.0002","7.6661","0.0002","90","","90","","90","","1660.39","0.07","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H17 N O S -","- C22 H17 N O S -","- C88 H68 N4 O4 S4 -","4","1","","Wang, Xiang-Shan; Li, Qing; Wu, Jian-Rong; Tu, Shu-Jiang","Efficient Method for the Synthesis of Pyranoquinoline, Thiopyranoquinoline, Thienoquinoline, and Naphtho[2,7]naphthyridine Derivatives Catalyzed by Iodine","Journal of Combinatorial Chemistry","2009","11","3","433","","10.1021/cc900026x","","","0.71073","MoKα","","0.0877","0.065","","","0.1955","0.214","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503650","11.3027","0.0003","11.7909","0.0004","12.2358","0.0004","84.75","0.002","72.521","0.002","63.339","0.002","1388.2","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Br N3 O3 -","- C30 H32 Br N3 O3 -","- C60 H64 Br2 N6 O6 -","2","1","","Wang, Xiang-Shan; Li, Qing; Wu, Jian-Rong; Tu, Shu-Jiang","Efficient Method for the Synthesis of Pyranoquinoline, Thiopyranoquinoline, Thienoquinoline, and Naphtho[2,7]naphthyridine Derivatives Catalyzed by Iodine","Journal of Combinatorial Chemistry","2009","11","3","433","","10.1021/cc900026x","","","0.71073","MoKα","","0.0971","0.0506","","","0.1318","0.1536","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503651","3.999","0.002","10.875","0.006","12.398","0.007","97.269","0.006","95.339","0.007","92.014","0.006","531.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C26 H20 N4 S2 -","2","1","","Ding, Qiuping; He, Xiaodan; Wu, Jie","Synthesis of 2-Aminobenzothiazole via Copper(I)-Catalyzed Tandem Reaction of 2-Iodobenzenamine with Isothiocyanate","Journal of Combinatorial Chemistry","2009","11","4","587","","10.1021/cc900027c","","","0.71073","MoKα","","0.0632","0.0501","","","0.1277","0.1406","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503652","9.153","0.003","11.9412","0.0007","12.0912","0.0016","114.907","0.009","93.676","0.018","94.575","0.014","1187.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N4 O6 S -","- C25 H24 N4 O6 S -","- C50 H48 N8 O12 S2 -","2","1","","Dzhavakhishvili, Sergey G.; Gorobets, Nikolay Yu.; Shishkina, Svetlana V.; Shishkin, Oleg V.; Desenko, Sergey M.; Groth, Ulrich M.","Diversification of a Thieno[2,3-d]pyrimidin-4-one Scaffold via Regioselective Alkylation Reactions","Journal of Combinatorial Chemistry","2009","11","3","508","","10.1021/cc9000373","","","0.71073","MoKα","","0.062","0.0349","","","0.0843","0.0907","","","","","","0.893","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503653","9.2189","0.0015","12.5924","0.0017","14.1","0.002","64.634","0.002","81.467","0.003","69.027","0.002","1381","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 F2 N6 O5 -","- C26 H26 F2 N6 O5 -","- C52 H52 F4 N12 O10 -","2","1","","Jiang, Bo; Cao, Long-Ji; Tu, Shu-Jiang; Zheng, Wen-Rui; Yu, Hai-Zhu","Highly Diastereoselective Domino Synthesis of 6-Spirosubstituted Pyrido[2,3-d]pyrimidine Derivatives in Water","Journal of Combinatorial Chemistry","2009","11","4","612","","10.1021/cc900038g","","","0.71073","MoKα","","0.1526","0.0664","","","0.1072","0.1198","","","","","","1.002","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1503654","10.721","0.002","14.43","0.003","14.681","0.003","90","","91.134","0.004","90","","2270.8","0.8","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 F N4 -","- C27 H17 F N4 -","- C108 H68 F4 N16 -","4","1","","Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang","Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids","Journal of Combinatorial Chemistry","2009","11","6","1011","","10.1021/cc9000482","","","0.71073","MoKα","","0.1139","0.0476","","","0.1005","0.1263","","","","","","0.99","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503655","30.9404","0.0004","9.1578","0.0001","16.8812","0.0002","90","","99.108","0.001","90","","4722.91","0.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 N5 O3 -","- C24 H27 N5 O3 -","- C192 H216 N40 O24 -","8","1","","Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang","Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids","Journal of Combinatorial Chemistry","2009","11","6","1011","","10.1021/cc9000482","","","0.71073","MoKα","","0.0665","0.0477","","","0.1415","0.1587","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503656","16.7648","0.0005","9.245","0.0002","15.4532","0.0005","90","","114.316","0.002","90","","2182.63","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Amino-8,8a-dihydro-8-(3,4-dichlorophenyl)-1H-isochromene-5,7,7(3H)-tricarbonitrile dimethylformamide solvate","","- C21 H19 Cl2 N5 O2 -","- C21 H18 Cl2 N5 O2 -","- C84 H72 Cl8 N20 O8 -","4","1","","Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang","Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids","Journal of Combinatorial Chemistry","2009","11","6","1011","","10.1021/cc9000482","","","0.71073","MoKα","","0.1014","0.063","","","0.1771","0.2008","","","","","","1.043","","","","has coordinates,has disorder","299195","2025-04-07","13:14:30",""
"1503657","9.1603","0.0019","18.484","0.004","14.556","0.003","90","","104.556","0.004","90","","2385.5","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Cl N4 -","- C28 H19 Cl N4 -","- C112 H76 Cl4 N16 -","4","1","","Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang","Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids","Journal of Combinatorial Chemistry","2009","11","6","1011","","10.1021/cc9000482","","","0.71073","MoKα","","0.0945","0.0511","","","0.1209","0.1501","","","","","","1.004","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503658","11.2726","0.0014","11.8903","0.0015","14.5544","0.0017","86.571","0.002","88.755","0.002","81.249","0.001","1924.5","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 N3 S -","- C23 H15 N3 S -","- C92 H60 N12 S4 -","4","2","","Jiang, Bo; Hao, Wen-Juan; Wang, Xiang; Shi, Feng; Tu, Shu-Jiang","Diversity-Oriented Synthesis of Kröhnke Pyridines","Journal of Combinatorial Chemistry","2009","11","5","846","","10.1021/cc900052b","","","0.71073","MoKα","","0.1233","0.0676","","","0.1736","0.1992","","","","","","1.07","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503659","8.7519","0.0003","16.8317","0.0005","25.6881","0.0008","90","","90","","90","","3784.1","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dibenzyl-6-(butylamino)-1,3,5-triazine-2,4(1H,3H)-dione","","- C21 H24 N4 O2 -","- C21 H24 N4 O2 -","- C168 H192 N32 O16 -","8","1","","Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin","Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones","Journal of Combinatorial Chemistry","2009","11","6","1050","","10.1021/cc900091e","","","0.71073","MoKα","","0.0807","0.0684","","","0.1681","0.1774","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503660","8.973","0.0005","8.3478","0.0005","28.1826","0.0015","90","","90","","90","","2111","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-(Hydroxyimino)-1-methyl-3-phenyl-1,3,5-triazine-2,4-dione","","- C10 H10 N4 O3 -","- C10 H10 N4 O3 -","- C80 H80 N32 O24 -","8","1","","Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin","Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones","Journal of Combinatorial Chemistry","2009","11","6","1050","","10.1021/cc900091e","","","0.71073","MoKα","","0.0814","0.0708","","","0.148","0.1529","","","","","","1.253","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503661","10.3181","0.0001","18.679","0.0003","11.1566","0.0002","90","","105.516","0.001","90","","2071.87","0.05","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O5 S -","- C23 H20 N2 O5 S -","- C92 H80 N8 O20 S4 -","4","1","","Shaabani, Ahmad; Ghadari, Rahim; Ghasemi, Sabrieh; Pedarpour, Milad; Rezayan, Ali Hossein; Sarvary, Afshin; Ng, Seik Weng","Novel One-Pot Three- and Pseudo-Five-Component Reactions: Synthesis of Functionalized Benzo[g]- and Dihydropyrano[2,3-g]chromene Derivatives","Journal of Combinatorial Chemistry","2009","11","6","956","","10.1021/cc900101w","","","0.71073","MoKα","","0.0418","0.0338","","","0.0898","0.0974","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503662","13.516","0.006","9.108","0.004","22.558","0.009","90","","90","","90","","2777","2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","aa_py4os2","","","- C14 H13 N O3 S2 -","- C14 H13 N O3 S2 -","- C112 H104 N8 O24 S16 -","8","2","","Agrawal, Arpita; de Oliveira, César Augusto F; Cheng, Yuhui; Jacobsen, Jennifer A.; McCammon, J. Andrew; Cohen, Seth M.","Thioamide hydroxypyrothiones supersede amide hydroxypyrothiones in potency against anthrax lethal factor.","Journal of medicinal chemistry","2009","52","4","1063","1074","10.1021/jm8013212","","","0.71073","MoKα","","0.0467","0.0422","","","0.1054","0.1096","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503663","8.3877","0.0002","8.4043","0.0002","15.1821","0.0004","100.357","0.001","103.537","0.001","101.37","0.001","991","0.04","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O3 -","- C22 H25 N3 O3 -","- C44 H50 N6 O6 -","2","1","","Diaz, Philippe; Phatak, Sharangdhar S.; Xu, Jijun; Astruc-Diaz, Fanny; Cavasotto, Claudio N.; Naguib, Mohamed","6-Methoxy-N-alkyl isatin acylhydrazone derivatives as a novel series of potent selective cannabinoid receptor 2 inverse agonists: design, synthesis, and binding mode prediction.","Journal of medicinal chemistry","2009","52","2","433","444","10.1021/jm801353p","","","0.7107","MoKα","","0.0688","0.0485","","","0.1088","0.1192","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503664","6.6457","0.0002","10.369","0.0003","11.3174","0.0004","90","","92.645","0.001","90","","779.04","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H26 N2 O2 -","- C17 H26 N2 O2 -","- C34 H52 N4 O4 -","2","1","","Fox, David J.; Reckless, Jill; Lingard, Hannah; Warren, Stuart; Grainger, David J.","Highly potent, orally available anti-inflammatory broad-spectrum chemokine inhibitors.","Journal of medicinal chemistry","2009","52","11","3591","3595","10.1021/jm900133w","","","0.71073","MoKα","","0.0389","0.0339","","","0.0767","0.08","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503665","10.2116","0.0002","10.8607","0.0003","13.1256","0.0004","90","","90","","90","","1455.7","0.07","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 O2 -","- C14 H24 N2 O2 -","- C56 H96 N8 O8 -","4","1","","Fox, David J.; Reckless, Jill; Lingard, Hannah; Warren, Stuart; Grainger, David J.","Highly potent, orally available anti-inflammatory broad-spectrum chemokine inhibitors.","Journal of medicinal chemistry","2009","52","11","3591","3595","10.1021/jm900133w","","","0.71073","MoKα","","0.0523","0.0402","","","0.082","0.0879","","","","","","1.102","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503666","11.4279","0.0004","9.9784","0.0003","16.245","0.0006","90","","93.967","0.001","90","","1848.01","0.11","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H20 N2 O2 -","- C11 H20 N2 O2 -","- C66 H120 N12 O12 -","6","3","","Fox, David J.; Reckless, Jill; Lingard, Hannah; Warren, Stuart; Grainger, David J.","Highly potent, orally available anti-inflammatory broad-spectrum chemokine inhibitors.","Journal of medicinal chemistry","2009","52","11","3591","3595","10.1021/jm900133w","","","0.71073","MoKα","","0.0627","0.0457","","","0.0997","0.1081","","","","","","1.02","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503667","10.834","0.001","11.623","0.001","13.511","0.001","90","0.05","104","0.05","90","0.05","1650.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O5 -","- C18 H20 O5 -","- C72 H80 O20 -","4","1","","Messaoudi, Samir; Tréguier, Bret; Hamze, Abdallah; Provot, Olivier; Peyrat, Jean-François; De Losada, Jordi Rodrigo; Liu, Jian-Miao; Bignon, Jérôme; Wdzieczak-Bakala, Joanna; Thoret, Sylviane; Dubois, Joëlle; Brion, Jean-Daniel; Alami, Mouâd","Isocombretastatins a versus combretastatins a: the forgotten isoCA-4 isomer as a highly promising cytotoxic and antitubulin agent.","Journal of medicinal chemistry","2009","52","14","4538","4542","10.1021/jm900321u","","","0.7107","MoKα","","0.0692","0.0443","","","0.1126","0.1267","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503668","9.7642","0.0014","8.0842","0.0011","11.694","0.0017","90","","98.007","0.002","90","","914.1","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C42 H48 O12 -","2","1","","Li, Zheng; Zhou, Zhao-Li; Miao, Ze-Hong; Lin, Li-Ping; Feng, Hui-Jin; Tong, Lin-Jiang; Ding, Jian; Li, Yuan-Chao","Design and synthesis of novel C14-hydroxyl substituted triptolide derivatives as potential selective antitumor agents.","Journal of medicinal chemistry","2009","52","16","5115","5123","10.1021/jm900342g","","","0.71073","MoKα","","0.0555","0.0475","","","0.1058","0.1099","","","","","","0.957","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503669","9.8274","0.0008","11.5318","0.0009","17.6885","0.0015","90","","90","","90","","2004.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O8 S -","- C21 H24 O8 S -","- C84 H96 O32 S4 -","4","1","","Li, Zheng; Zhou, Zhao-Li; Miao, Ze-Hong; Lin, Li-Ping; Feng, Hui-Jin; Tong, Lin-Jiang; Ding, Jian; Li, Yuan-Chao","Design and synthesis of novel C14-hydroxyl substituted triptolide derivatives as potential selective antitumor agents.","Journal of medicinal chemistry","2009","52","16","5115","5123","10.1021/jm900342g","","","0.71073","MoKα","","0.0508","0.0433","","","0.094","0.097","","","","","","0.984","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503670","7.3747","0.0002","7.4532","0.0002","9.6324","0.0003","97.192","0.002","109.63","0.002","95.02","0.002","489.97","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Pyridine-2-carbaldehyde N,N-dimethylthiosemicarbazone","","- C9 H12 N4 S -","- C9 H12 N4 S -","- C18 H24 N8 S2 -","2","1","","Kowol, Christian R.; Trondl, Robert; Heffeter, Petra; Arion, Vladimir B.; Jakupec, Michael A.; Roller, Alexander; Galanski, Markus; Berger, Walter; Keppler, Bernhard K.","Impact of metal coordination on cytotoxicity of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (triapine) and novel insights into terminal dimethylation.","Journal of medicinal chemistry","2009","52","16","5032","5043","10.1021/jm900528d","","","0.71073","MoKα","","0.0355","0.0274","","","0.0734","0.0806","","","","","","0.869","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503671","9.3441","0.0007","9.7491","0.001","12.9501","0.0013","102.437","0.006","95.239","0.005","96.569","0.005","1136.26","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Ga N11 O4 S2 -","- C16 H22 Ga N11 O4 S2 -","- C32 H44 Ga2 N22 O8 S4 -","2","1","","Kowol, Christian R.; Trondl, Robert; Heffeter, Petra; Arion, Vladimir B.; Jakupec, Michael A.; Roller, Alexander; Galanski, Markus; Berger, Walter; Keppler, Bernhard K.","Impact of metal coordination on cytotoxicity of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (triapine) and novel insights into terminal dimethylation.","Journal of medicinal chemistry","2009","52","16","5032","5043","10.1021/jm900528d","","","0.71073","MoKα","","0.1081","0.0577","","","0.1381","0.1526","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503672","18.5732","0.0008","5.5273","0.0002","17.2799","0.0007","90","","90","","90","","1773.95","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-Aminopyridine-2-carbaldehyde thiosemicarbazone","","- C7 H9 N5 S -","- C7 H9 N5 S -","- C56 H72 N40 S8 -","8","2","","Kowol, Christian R.; Trondl, Robert; Heffeter, Petra; Arion, Vladimir B.; Jakupec, Michael A.; Roller, Alexander; Galanski, Markus; Berger, Walter; Keppler, Bernhard K.","Impact of metal coordination on cytotoxicity of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (triapine) and novel insights into terminal dimethylation.","Journal of medicinal chemistry","2009","52","16","5032","5043","10.1021/jm900528d","","","0.71073","MoKα","","0.0498","0.0364","","","0.0831","0.0893","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503673","9.2033","0.0004","23.0998","0.0011","21.2104","0.0008","90","","92.473","0.003","90","","4505","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis(3-aminopyridine-2-carbaldehyde thiosemicarbazonato)- N,N,S-iron(III)] nitrate hydrate","","- C28 H46 Fe2 N22 O13 S4 -","- C28 H40 Fe2 N22 O13 S4 -","- C112 H160 Fe8 N88 O52 S16 -","4","0.5","","Kowol, Christian R.; Trondl, Robert; Heffeter, Petra; Arion, Vladimir B.; Jakupec, Michael A.; Roller, Alexander; Galanski, Markus; Berger, Walter; Keppler, Bernhard K.","Impact of metal coordination on cytotoxicity of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (triapine) and novel insights into terminal dimethylation.","Journal of medicinal chemistry","2009","52","16","5032","5043","10.1021/jm900528d","","","0.71073","MoKα","","0.0691","0.0615","","","0.1419","0.1446","","","","","","1.003","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503674","12.6727","0.0005","30.0947","0.0013","13.5037","0.0006","90","","96.832","0.003","90","","5113.5","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H44.5 N4 O20.25 S8 -","- C48 H42 N4 O20.25 S8 -","- C192 H168 N16 O81 S32 -","4","1","","Wang, Kui; Guo, Dong-Sheng; Zhang, Hong-Qing; Li, Dong; Zheng, Xi-Long; Liu, Yu","Highly effective binding of viologens by p-sulfonatocalixarenes for the treatment of viologen poisoning.","Journal of medicinal chemistry","2009","52","20","6402","6412","10.1021/jm900811z","","","0.7107","MoKα","","0.0561","0.0474","","","0.1119","0.1175","","","","","","1.058","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503675","13.699","0.005","13.796","0.005","15.189","0.006","88.402","0.011","77.838","0.006","81.671","0.01","2776.6","1.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H65 N4 O26.5 S4 -","- C52 H44 N4 O26.5 S4 -","- C104 H88 N8 O53 S8 -","2","1","","Wang, Kui; Guo, Dong-Sheng; Zhang, Hong-Qing; Li, Dong; Zheng, Xi-Long; Liu, Yu","Highly effective binding of viologens by p-sulfonatocalixarenes for the treatment of viologen poisoning.","Journal of medicinal chemistry","2009","52","20","6402","6412","10.1021/jm900811z","","","0.7107","MoKα","","0.1057","0.071","","","0.1784","0.2027","","","","","","1.001","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503676","15.7604","0.0013","8.4707","0.0005","16.8054","0.0015","90","","96.515","0.007","90","","2229.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N2 Ni O -","- C25 H30 N2 Ni O -","- C100 H120 N8 Ni4 O4 -","4","1","","Guironnet, Damien; Göttker-Schnetmann, Inigo; Mecking, Stefan","Catalytic Polymerization in Dense CO2to Controlled Microstructure Polyethylenes","Macromolecules","2009","42","21","8157","","10.1021/ma901397q","","","0.71073","MoKα","","0.0588","0.0461","","","0.0796","0.0828","","","","","","1.161","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503677","8.163","0.004","8.22","0.005","11.652","0.008","100.21","0.11","101.26","0.09","91.22","0.07","753.4","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H17 N O6 -","- C17 H17 N O6 -","- C34 H34 N2 O12 -","2","2","","Cedrón, Juan C; Oberti, Juan C.; Estévez-Braun, Ana; Ravelo, Angel G.; Del Arco-Aguilar, Marcelino; López, Matías","Pancratium canariense as an important source of amaryllidaceae alkaloids.","Journal of natural products","2009","72","1","112","116","10.1021/np800459d","","","0.71073","MoKα","","0.0928","0.0707","","","0.1592","0.1753","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503678","10.074","0.005","10.771","0.003","13.494","0.007","90","","90","","90","","1464.2","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Cedrón, Juan C; Oberti, Juan C.; Estévez-Braun, Ana; Ravelo, Angel G.; Del Arco-Aguilar, Marcelino; López, Matías","Pancratium canariense as an important source of amaryllidaceae alkaloids.","Journal of natural products","2009","72","1","112","116","10.1021/np800459d","","","0.71073","MoKα","","0.0463","0.0436","","","0.1144","0.1169","","","","","","1.094","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503679","6.8213","0.0001","12.964","0.0001","11.3897","0.0001","90","","104.69","0.001","90","","974.283","0.019","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H36 O4 -","- C20 H36 O4 -","- C40 H72 O8 -","2","1","","Stavri, Michael; Paton, Alan; Skelton, Brian W.; Gibbons, Simon","Antibacterial diterpenes from Plectranthus ernstii.","Journal of natural products","2009","72","6","1191","1194","10.1021/np800581s","","","1.54184","CuKα","","0.0301","0.0299","","","0.0828","0.0831","","","","","","0.944","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503680","12.827","0.002","20.944","0.004","13.013","0.002","90","","90.26","0.02","90","","3495.9","1","293","2","293","2","","","","","","","natural product","4","P 1 21 1","P 2yb","4","","","","- C40 H38 N4 O5 -","- C40 H38 N4 O5 -","- C160 H152 N16 O20 -","4","2","","de Oliveira, Pollyanna Laurindo; Tanaka, Clara M. A.; Kato, Lucília; da Silva, Cleuza C.; Medina, Rebeca Previate; Moraes, Aline P.; Sabino, José R; de Oliveira, Cecília M A","Amaiouine, a cyclopeptide alkaloid from the leaves of Amaioua guianensis.","Journal of natural products","2009","72","6","1195","1197","10.1021/np8006028","","x-ray","1.5418","CuKα","","0.1274","0.0911","","","0.2188","0.2627","","","","","","1.092","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503681","7.512","0.001","6.6024","0.0008","15.97","0.003","90","","100.287","0.005","90","","779.3","0.2","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H11 N3 O5 S2 -","- C13 H11 N3 O5 S2 -","- C26 H22 N6 O10 S4 -","2","1","","Park, Hyun Bong; Kwon, Hak Cheol; Lee, Chang-Ho; Yang, Hyun Ok","Glionitrin A, an antibiotic-antitumor metabolite derived from competitive interaction between abandoned mine microbes.","Journal of natural products","2009","72","2","248","252","10.1021/np800606e","","","0.7107","MoKα","","","0.121","","","","0.365","","","","","","1.487","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503682","8.74","0.0019","7.758","0.004","9.939","0.004","90","","99.24","0.02","90","","665.2","0.5","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H3 Cl6 N O -","- C10 H3 Cl6 N O -","- C20 H6 Cl12 N2 O2 -","2","1","","Hopp, D. Craig; Rhea, Joshua; Jacobsen, Daniel; Romari, Khadidja; Smith, Chris; Rabenstein, John; Irigoyen, Macarena; Clarke, Midori; Francis, Linda; Luche, Michele; Carr, Grant J.; Mocek, Ulla","Neopyrrolomycins with broad spectrum antibacterial activity.","Journal of natural products","2009","72","2","276","279","10.1021/np800632f","","","0.71073","MoKα","","0.0628","0.0404","","","0.0785","0.0875","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503683","16.991","","9.914","","19.319","","90","","110.71","","90","","3043.98","","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H40 O10 -","- C31.5 H38 O10 -","- C126 H152 O40 -","4","2","","Fang, Xin; Di, Ying-Tong; Li, Chun-Shun; Geng, Zhao-Liang; Zhang, Zhen; Zhang, Yu; Lu, Yang; Zheng, Qi-Tai; Yang, Shi-Yin; Hao, Xiao-Jiang","Tetranortriterpenoids from the Leaves of Cipadessa cinerascens.","Journal of natural products","2009","72","4","714","718","10.1021/np800656r","","","0.71073","MoKα","","0.0825","0.0615","","","0.1561","0.1755","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503684","7.691","0.0015","10.688","0.002","16.499","0.003","90","","99.96","0.03","90","","1335.8","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C60 H96 O8 -","2","1","","Sang, Yi Shu; Zhou, Chun Yan; Lu, Ai Jun; Yin, Xiao Jin; Min, Zhi Da; Tan, Ren Xiang","Protolimonoids from Melia toosendan.","Journal of natural products","2009","72","5","917","920","10.1021/np800669c","","","0.71073","MoKα","","0.1272","0.0816","","","0.1922","0.26","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503685","6.778","0.0012","7.8277","0.0014","16.835","0.003","81.293","0.002","87.547","0.002","72.743","0.002","843.2","0.3","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H54 N2 O6 -","- C36 H54 N2 O6 -","- C36 H54 N2 O6 -","1","1","","Yan, Yu-Xin; Hu, Xiao-Dong; Chen, Jian-Chao; Sun, Yun; Zhang, Xian-Min; Qing, Chen; Qiu, Ming-Hua","Cytotoxic triterpenoid alkaloids from Buxus microphylla.","Journal of natural products","2009","72","2","308","311","10.1021/np800719h","","","0.71073","MoKα","","0.0973","0.0553","","","0.1158","0.1382","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503686","11.605","0.007","12.335","0.007","20.051","0.011","90","","90","","90","","2870","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C120 H208 O16 -","8","2","","Ma, Wen-Hui; Huang, Hai; Zhou, Pei; Chen, Dao-Feng","Schisanwilsonenes A-C, anti-HBV Carotane sesquiterpenoids from the fruits of Schisandra wilsoniana.","Journal of natural products","2009","72","4","676","678","10.1021/np8007864","","","0.71073","MoKα","","0.1769","0.0917","","","0.1832","0.2105","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503687","7.222","0.003","15.037","0.007","24.038","0.011","90","","90","","90","","2610","2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O4 -","- C30 H46 O4 -","- C120 H184 O16 -","4","1","","Li, Yong-Li; Yang, Xian-Wen; Li, Su-Mei; Shen, Yun-Heng; Zeng, Hua-Wu; Liu, Xiao-Hua; Tang, Jian; Zhang, Wei-Dong","Terpenoid constituents of Abies chensiensis with potential anti-inflammatory activity.","Journal of natural products","2009","72","6","1065","1068","10.1021/np800790h","","","0.71073","MoKα","","0.0875","0.0566","","","0.1271","0.1457","","","","","","0.969","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503688","10.04377","0.00018","12.165","0.0002","19.2375","0.0007","90","","90","","90","","2350.49","0.1","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 Br O4 -","- C27 H33 Br O4 -","- C108 H132 Br4 O16 -","4","1","","Matsuno, Yosuke; Deguchi, Jun; Hosoya, Takahiro; Hirasawa, Yusuke; Hirobe, Chieko; Shiro, Motoo; Morita, Hiroshi","Sucutiniranes C-F, cassane-type diterpenes from Bowdichia nitida.","Journal of natural products","2009","72","5","976","979","10.1021/np900023d","","","1.54187","CuKα","","","0.0198","","","","0.0502","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503689","5.481","0.001","9.784","0.001","24.207","0.001","90","","90","","90","","1298.1","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N0 O7 -","- C12 H18 O7 -","- C48 H72 O28 -","4","1","","Yu, Yong-Ming; Yang, Jun-Shan; Peng, Chao-Zhong; Caer, Valerie; Cong, Pu-Zhu; Zou, Zhong-Mei; Lu, Yang; Yang, Shi-Ying; Gu, Yu-Cheng","Lactones from Angiopteris caudatiformis.","Journal of natural products","2009","72","5","921","924","10.1021/np900027m","","","0.71073","MoKα","","0.039","0.0347","","","0.0933","0.0965","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503690","8.4483","0.0017","15.923","0.003","23.947","0.005","90","","90","","90","","3221.4","1.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H37 F3 O9 -","- C37 H37 F3 O9 -","- C148 H148 F12 O36 -","4","1","","Li, Yan; Ye, Dezan; Chen, Xulin; Lu, Xinhua; Shao, Zongze; Zhang, Hua; Che, Yongsheng","Breviane spiroditerpenoids from an extreme-tolerant Penicillium sp. isolated from a deep sea sediment sample.","Journal of natural products","2009","72","5","912","916","10.1021/np900116m","","","0.71073","MoKα","","0.0555","0.054","","","0.1171","0.1177","","","","","","1.225","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503691","17.854","0.01","7.164","0.004","16.135","0.008","90","","107.171","0.013","90","","1971.8","1.8","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C21 H34 O4 -","- C21 H34 O4 -","- C84 H136 O16 -","4","1","","Chen, Jian-Jun; Li, Zheng-Ming; Gao, Kun; Chang, Jin; Yao, Xiao-Jun","Vladimuliecins A and B: cytotoxic pentacyclic pregnanols from Vladimiria muliensis.","Journal of natural products","2009","72","6","1128","1132","10.1021/np900120q","","","0.71073","MoKα","","0.0388","0.0352","","","0.1029","0.1092","","","","","","0.783","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503692","7.3556","0.0002","7.4296","0.0002","14.2899","0.0004","81.762","0.001","82.937","0.001","65.002","0.001","698.77","0.03","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C31 H46 O5 -","- C31 H46 O5 -","- C31 H46 O5 -","1","1","","Nuanyai, Thanesuan; Sappapan, Reungrit; Teerawatananond, Thapong; Muangsin, Nongnuj; Pudhom, Khanitha","Cytotoxic 3,4-seco-cycloartane triterpenes from Gardenia sootepensis.","Journal of natural products","2009","72","6","1161","1164","10.1021/np900156k","","","0.71073","MoKα","","0.0506","0.0454","","","0.1219","0.1288","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503693","6.1288","0.0018","7.166","0.002","12.816","0.004","90","","102.805","0.004","90","","548.9","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H20 O2 -","- C11 H20 O2 -","- C22 H40 O4 -","2","1","","Jiang, Meng-Yuan; Zhang, Ling; Liu, Rong; Dong, Ze-Jun; Liu, Ji-Kai","Speciosins A-K, oxygenated cyclohexanoids from the basidiomycete Hexagonia speciosa.","Journal of natural products","2009","72","8","1405","1409","10.1021/np900182m","","","0.71073","MoKα","","0.1649","0.0787","","","0.1839","0.2199","","","","","","0.977","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503694","6.943","0.0008","7.2493","0.0008","15.2539","0.0017","81.411","0.002","80.394","0.002","61.762","0.002","664.71","0.13","294","2","294","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C30 H48 O4 -","1","1","","Chen, Wen-Hao; Qi, Huan-Yang; Shi, Yan-Ping","24-Hydroxyoleanane-type triterpenes from the aerial parts and roots of Oxytropis falcata.","Journal of natural products","2009","72","8","1410","1413","10.1021/np900199x","","","0.71073","MoKα","","0.0429","0.0387","","","0.1161","0.1224","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503695","12.3341","0.001","7.3877","0.001","30.799","0.003","90","","97.604","0.002","90","","2781.7","0.5","294","2","294","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C31 H50 O4 -","- C31 H50 O4 -","- C124 H200 O16 -","4","1","","Chen, Wen-Hao; Qi, Huan-Yang; Shi, Yan-Ping","24-Hydroxyoleanane-type triterpenes from the aerial parts and roots of Oxytropis falcata.","Journal of natural products","2009","72","8","1410","1413","10.1021/np900199x","","","0.71073","MoKα","","0.0428","0.0377","","","0.095","0.1047","","","","","","1.374","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503696","7.2899","0.0004","11.7817","0.0006","36.3289","0.0017","90","","90","","90","","3120.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 O5 S -","- C32 H52 O5 S -","- C128 H208 O20 S4 -","4","1","","Chen, Wen-Hao; Qi, Huan-Yang; Shi, Yan-Ping","24-Hydroxyoleanane-type triterpenes from the aerial parts and roots of Oxytropis falcata.","Journal of natural products","2009","72","8","1410","1413","10.1021/np900199x","","","0.71073","MoKα","","0.0705","0.0635","","","0.1753","0.1823","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503697","12.37","0.0009","7.2582","0.0005","29.428","0.002","90","","98.411","0.004","90","","2613.7","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C120 H184 O12 -","4","2","","Chen, Wen-Hao; Qi, Huan-Yang; Shi, Yan-Ping","24-Hydroxyoleanane-type triterpenes from the aerial parts and roots of Oxytropis falcata.","Journal of natural products","2009","72","8","1410","1413","10.1021/np900199x","","","0.71073","MoKα","","0.0586","0.0444","","","0.1063","0.1182","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503698","6.839","0.002","16.92","0.005","19.998","0.006","90","","94.559","0.006","90","","2306.8","1.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 O6 -","- C26 H27 O6 -","- C104 H108 O24 -","4","1","","Pettit, George R.; Melody, Noeleen; Thornhill, Andrew; Knight, John C.; Groy, Thomas L.; Herald, Cherry L.","Antineoplastic agents. 579. Synthesis and cancer cell growth evaluation of E-stilstatin 3: a resveratrol structural modification.","Journal of natural products","2009","72","9","1637","1642","10.1021/np9002146","","","0.71073","MoKα","","0.0731","0.0528","","","0.1432","0.1614","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503699","11.856","0.002","13.164","0.003","17.373","0.004","90","","90","","90","","2711.4","1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O9 -","- C26 H36 O9 -","- C104 H144 O36 -","4","1","","Lin, Yu-Chi; Abd El-Razek, Mohamed H; Hwang, Tsong-Long; Chiang, Michael Y.; Kuo, Yao-Haur; Dai, Chang-Feng; Shen, Ya-Ching","Asterolaurins A-F, xenicane diterpenoids from the Taiwanese soft coral Asterospicularia laurae.","Journal of natural products","2009","72","11","1911","1916","10.1021/np900231e","","","0.71073","MoKα","","0.0637","0.0448","","","0.1087","0.1193","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503700","10.8711","0.001","13.8138","0.0012","14.0844","0.0013","112.142","0.006","90.894","0.006","94.006","0.006","1952.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TF5","","","- C45 H33 Cl3 O12 -","- C45 H33 Cl3 O12 -","- C90 H66 Cl6 O24 -","2","1","","Lear, Martin J.; Simon, Oliver; Foley, Timothy L.; Burkart, Michael D.; Baiga, Thomas J.; Noel, Joseph P.; DiPasquale, Antonio G.; Rheingold, Arnold L.; La Clair, James J.","Laetirobin from the parasitic growth of Laetiporus sulphureus on Robinia pseudoacacia.","Journal of natural products","2009","72","11","1980","1987","10.1021/np9002838","","","1.54178","CuKα","","0.0971","0.0694","","","0.1746","0.1971","","","","","","0.987","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503701","12.406","0.001","13.593","0.001","16.49","0.001","90","","90","","90","","2780.8","0.3","293","2","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 O12 -","- C29 H38 O12 -","- C116 H152 O48 -","4","1","","Xiao, Wei-Lie; Gong, Yan-Qing; Wang, Rui-Rui; Weng, Zhi-Ying; Luo, Xiao; Li, Xiao-Nian; Yang, Guang-Yu; He, Fei; Pu, Jian-Xin; Yang, Liu-Meng; Zheng, Yong-Tang; Lu, Yang; Sun, Han-Dong","Bioactive Nortriterpenoids from Schisandra grandiflora.","Journal of natural products","2009","72","9","1678","1681","10.1021/np900292e","","","0.71073","MoKα","","0.0605","0.053","","","0.1369","0.1434","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503702","10.825","0.001","11.335","0.001","22.723","0.002","90","","90","","90","","2788.1","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 O11 -","- C29 H36 O11 -","- C116 H144 O44 -","4","1","","Xiao, Wei-Lie; Gong, Yan-Qing; Wang, Rui-Rui; Weng, Zhi-Ying; Luo, Xiao; Li, Xiao-Nian; Yang, Guang-Yu; He, Fei; Pu, Jian-Xin; Yang, Liu-Meng; Zheng, Yong-Tang; Lu, Yang; Sun, Han-Dong","Bioactive Nortriterpenoids from Schisandra grandiflora.","Journal of natural products","2009","72","9","1678","1681","10.1021/np900292e","","","0.71073","MoKα","","0.0428","0.0394","","","0.101","0.1041","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503703","8.8804","0.0004","16.4376","0.0008","22.1252","0.001","90","","90","","90","","3229.7","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O11 -","- C35 H44 O11 -","- C140 H176 O44 -","4","1","","Li, Min-Yi; Yang, Sheng-Xin; Pan, Jian-Yu; Xiao, Qiang; Satyanandamurty, Tirumani; Wu, Jun","Moluccensins A-G, phragmalins with a conjugated C-30 carbonyl group from a Krishna mangrove, Xylocarpus moluccensis.","Journal of natural products","2009","72","9","1657","1662","10.1021/np9003504","","","0.71073","MoKα","","0.0502","0.0374","","","0.0918","0.0994","","","","","","1.193","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503704","11.273","0.0002","12.2662","0.0002","13.8488","0.0007","90","","110.912","0.0007","90","","1788.83","0.1","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H52 N4 O7 -","- C43 H52 N4 O7 -","- C86 H104 N8 O14 -","2","1","","Zaima, Kazumasa; Hirata, Tomoko; Hosoya, Takahiro; Hirasawa, Yusuke; Koyama, Koichiro; Rahman, Abdul; Kusumawati, Idha; Zaini, Noor Cholies; Shiro, Motoo; Morita, Hiroshi","Biscarpamontamines A and B, an aspidosperma-iboga bisindole alkaloid and an aspidosperma-aspidosperma bisindole alkaloid, from Tabernaemontana sphaerocarpa.","Journal of natural products","2009","72","9","1686","1690","10.1021/np900365r","","","1.54187","CuKα","","","0.0394","","","","0.1053","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503705","6.646","0.002","17.261","0.005","22.793","0.006","90","","90","","90","","2614.7","1.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 O4 -","- C29 H40 O4 -","- C116 H160 O16 -","4","1","","Ma, Wai S.; Mutka, Tina; Vesley, Brian; Amsler, Margaret O.; McClintock, James B.; Amsler, Charles D.; Perman, Jason A.; Singh, Maya P.; Maiese, William M.; Zaworotko, Michael J.; Kyle, Dennis E.; Baker, Bill J.","Norselic acids A-E, highly oxidized anti-infective steroids that deter mesograzer predation, from the Antarctic sponge Crella sp.","Journal of natural products","2009","72","10","1842","1846","10.1021/np900382x","","","1.54178","CuKα","","0.0948","0.0629","","","0.1586","0.1825","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503706","19.2969","0.0004","19.2969","0.0004","19.1134","0.0007","90","","90","","120","","6163.7","0.3","93.1","","","","","","","","","","","4","R 3 :H","R 3","146","","","","- C27.667 H35.667 N O10.667 -","- C27.65 H29 N O10.65 -","- C248.85 H261 N9 O95.85 -","9","1","","Ismail, Intan Safinar; Nagakura, Yuta; Hirasawa, Yusuke; Hosoya, Takahiro; Lazim, Mohd Izwan Mohd; Lajis, Nordin Hj; Shiro, Motoo; Morita, Hiroshi","Chrotacumines A-D, chromone alkaloids from Dysoxylum acutangulum.","Journal of natural products","2009","72","10","1879","1883","10.1021/np9003849","","","1.54187","CuKα","","","0.0495","","","","0.1358","","","","","","1.039","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503707","7.9214","0.001","10.7896","0.0014","8.7901","0.0011","90","","104.961","0.002","90","","725.81","0.16","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H12 O8 -","- C16 H12 O8 -","- C32 H24 O16 -","2","1","","Liermann, Johannes C.; Kolshorn, Heinz; Opatz, Till; Thines, Eckhard; Anke, Heidrun","Xanthepinone, an antimicrobial polyketide from a soil fungus closely related to Phoma medicaginis.","Journal of natural products","2009","72","10","1905","1907","10.1021/np9005234","","","0.71073","MoKα","","0.0449","0.0323","","","0.0576","0.0604","","","","","","0.886","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503708","6.557","0.0002","20.0101","0.0004","7.6041","0.0002","90","","105.323","0.003","90","","962.24","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 N O6 -","- C19 H27 N O6 -","- C38 H54 N2 O12 -","2","1","","Vinale, Francesco; Flematti, Gavin; Sivasithamparam, Krishnapillai; Lorito, Matteo; Marra, Roberta; Skelton, Brian W.; Ghisalberti, Emilio L.","Harzianic acid, an antifungal and plant growth promoting metabolite from Trichoderma harzianum.","Journal of natural products","2009","72","11","2032","2035","10.1021/np900548p","","","1.54178","CuKα","","0.0261","0.0258","","","0.0659","0.0662","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503709","10.861","0.002","6.3257","0.0013","13.029","0.003","90","","97.27","0.03","90","","887.9","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O8 S2 -","- C18 H20 N2 O8 S2 -","- C36 H40 N4 O16 S4 -","2","1","","Guo, Huijuan; Sun, Bingda; Gao, Hao; Chen, Xulin; Liu, Shuchun; Yao, Xinsheng; Liu, Xingzhong; Che, Yongsheng","Diketopiperazines from the Cordyceps-colonizing fungus Epicoccum nigrum.","Journal of natural products","2009","72","12","2115","2119","10.1021/np900654a","","","0.71073","MoKα","","0.0337","0.0324","","","0.0814","0.0824","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503710","9.816","0.0005","18.6778","0.0009","21.7184","0.001","90","","90.068","0.001","90","","3981.9","0.3","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N -","- C27 H27 N -","- C216 H216 N8 -","8","2","","Fang, Zhen; Teo, Tang-Lin; Cai, Liping; Lai, Yee-Hing; Samoc, Anna; Samoc, Marek","Bridged triphenylamine-based dendrimers: tuning enhanced two-photon absorption performance with locked molecular planarity.","Organic letters","2009","11","1","1","4","10.1021/ol801238n","","","0.71073","MoKα","","0.1472","0.1234","","","0.2945","0.3063","","","","","","1.105","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503711","7.8078","0.001","8.5228","0.0011","10.9105","0.0014","103.226","0.002","94.638","0.002","104.258","0.002","677.72","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C34 H28 O8 -","2","1","","Kim, Yongju; Kim, Jonghoon; Park, Seung Bum","Regioselective synthesis of tetrasubstituted pyrroles by 1,3-dipolar cycloaddition and spontaneous decarboxylation.","Organic letters","2009","11","1","17","20","10.1021/ol8022193","","","0.71073","MoKα","","0.059","0.0407","","","0.101","0.109","","","","","","0.984","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503712","9.1208","0.0018","12.849","0.003","17.357","0.004","90","","90","","90","","2034.1","0.8","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Br N2 O2 -","- C24 H19 Br N2 O2 -","- C96 H76 Br4 N8 O8 -","4","1","","Kim, Yongju; Kim, Jonghoon; Park, Seung Bum","Regioselective synthesis of tetrasubstituted pyrroles by 1,3-dipolar cycloaddition and spontaneous decarboxylation.","Organic letters","2009","11","1","17","20","10.1021/ol8022193","","","0.71073","MoKα","","0.0824","0.0482","","","0.0968","0.1081","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503713","19.979","0.005","9.253","0.002","24.348","0.008","90","","111.914","0.005","90","","4176","2","293","2","293","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C24 H19 Br N2 O2 -","- C24 H19 Br N2 O2 -","- C192 H152 Br8 N16 O16 -","8","2","","Kim, Yongju; Kim, Jonghoon; Park, Seung Bum","Regioselective synthesis of tetrasubstituted pyrroles by 1,3-dipolar cycloaddition and spontaneous decarboxylation.","Organic letters","2009","11","1","17","20","10.1021/ol8022193","","","0.71073","MoKα","","0.1664","0.0643","","","0.1482","0.1643","","","","","","0.669","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503714","11.1848","0.0011","15.5317","0.0017","9.8946","0.0012","107.144","0.009","114.059","0.008","71.183","0.008","1458.9","0.3","298.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H44 O8 -","- C30 H44 O8 -","- C60 H88 O16 -","2","1","","Ogasawara, Masamichi; Okada, Atsushi; Nakajima, Kiyohiko; Takahashi, Tamotsu","Palladium-catalyzed synthesis of endocyclic allenes and their application in stereoselective [2 + 2]cycloaddition with ketenes.","Organic letters","2009","11","1","177","180","10.1021/ol802280c","","","1.54178","CuKα","","","0.0418","","","","0.0827","","","","","","1.355","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503715","10.1053","0.001","10.393","0.001","12.6745","0.0012","90","","90","","90","","1331.1","0.2","163","2","163","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 O4 -","- C13 H24 O4 -","- C52 H96 O16 -","4","1","","Ramirez, Armando P.; Thomas, Andrew M.; Woerpel, K. A.","Preparation of bicyclic 1,2,4-trioxanes from gamma,delta-unsaturated ketones.","Organic letters","2009","11","3","507","510","10.1021/ol8022853","","","0.71073","MoKα","","0.0348","0.0328","","","0.086","0.0888","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503716","7.0878","0.0004","21.6199","0.0013","9.7231","0.0006","90","","102.172","0.001","90","","1456.45","0.15","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O7 -","- C15 H17 N O7 -","- C60 H68 N4 O28 -","4","1","","Ramirez, Armando P.; Thomas, Andrew M.; Woerpel, K. A.","Preparation of bicyclic 1,2,4-trioxanes from gamma,delta-unsaturated ketones.","Organic letters","2009","11","3","507","510","10.1021/ol8022853","","","0.71073","MoKα","","0.0407","0.0347","","","0.0918","0.0962","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503717","11.159","0.002","15.012","0.003","11.545","0.002","90","","117.21","0.03","90","","1720","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 F3 N3 O2 S -","- C17 H16 F3 N3 O2 S -","- C68 H64 F12 N12 O8 S4 -","4","1","","Cummings, Christopher G.; Ross, Nathan T.; Katt, William P.; Hamilton, Andrew D.","Synthesis and biological evaluation of a 5-6-5 imidazole-phenyl-thiazole based alpha-helix mimetic.","Organic letters","2009","11","1","25","28","10.1021/ol8022962","","","0.71073","MoKα","","0.0971","0.0519","","","0.1302","0.1492","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503718","9.1374","0.0004","16.5065","0.0008","18.0121","0.0009","90","","90","","90","","2716.7","0.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cis-(Dibromo)-[(2S,3S)-bis(diphenylphosphino)butane]-palladium(ii)","","- C28 H28 Br2 P2 Pd -","- C28 H28 Br2 P2 Pd -","- C112 H112 Br8 P8 Pd4 -","4","1","","Rubio-Pérez, Laura; Pérez-Flores, F Javier; Sharma, Pankaj; Velasco, Luis; Cabrera, Armando","Stable preformed chiral palladium catalysts for the one-pot asymmetric reductive amination of ketones.","Organic letters","2009","11","2","265","268","10.1021/ol802336m","","","0.71073","MoKα","","0.0408","0.034","","","0.0687","0.071","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503719","11.9124","0.0003","11.9124","0.0003","26.191","0.0013","90","","90","","90","","3716.6","0.2","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C44 H32 Br2 P2 Pd -","- C44 H32 Br2 P2 Pd -","- C176 H128 Br8 P8 Pd4 -","4","0.5","","Rubio-Pérez, Laura; Pérez-Flores, F Javier; Sharma, Pankaj; Velasco, Luis; Cabrera, Armando","Stable preformed chiral palladium catalysts for the one-pot asymmetric reductive amination of ketones.","Organic letters","2009","11","2","265","268","10.1021/ol802336m","","","0.71073","MoKα","","0.0354","0.0293","","","0.0567","0.0578","","","","","","0.936","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503720","10.773","0.006","11.224","0.006","19.641","0.01","105.078","0.008","101.351","0.008","96.175","0.008","2216","2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H67 N9 O4 -","- C44 H67 N9 O4 -","- C88 H134 N18 O8 -","2","1","","Kuykendall, Darrell W.; Anderson, Cyrus A.; Zimmerman, Steven C.","Hydrogen-bonded DeUG x DAN heterocomplex: structure and stability and a scalable synthesis of DeUG with reactive functionality.","Organic letters","2009","11","1","61","64","10.1021/ol802344w","","","0.71073","MoKα","","0.1883","0.0656","","","0.1394","0.1853","","","","","","0.942","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503721","8.0384","0.0007","16.6403","0.0015","33.381","0.003","90","","90","","90","","4465.1","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H33 N5 O4 -","- C22 H33 N5 O4 -","- C176 H264 N40 O32 -","8","1","","Kuykendall, Darrell W.; Anderson, Cyrus A.; Zimmerman, Steven C.","Hydrogen-bonded DeUG x DAN heterocomplex: structure and stability and a scalable synthesis of DeUG with reactive functionality.","Organic letters","2009","11","1","61","64","10.1021/ol802344w","","","0.71073","MoKα","","0.1977","0.0618","","","0.1079","0.1533","","","","","","0.993","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503722","6.1369","0.0012","16.452","0.003","17.008","0.003","90","","90","","90","","1717.2","0.6","150","1","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Martins, Andrew; Lemouzy, Sébastien; Lautens, Mark","Bifunctional reactivity of Cu(I): sequential ring opening/N-arylation.","Organic letters","2009","11","1","181","183","10.1021/ol802357e","","","0.71073","MoKα","","0.0806","0.055","","","0.1332","0.1475","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503723","5.8184","0.0002","20.7156","0.001","14.5591","0.0006","90","","98.768","0.003","90","","1734.32","0.13","150","1","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N3 O6 -","- C17 H19 N3 O6 -","- C68 H76 N12 O24 -","4","1","","Martins, Andrew; Lemouzy, Sébastien; Lautens, Mark","Bifunctional reactivity of Cu(I): sequential ring opening/N-arylation.","Organic letters","2009","11","1","181","183","10.1021/ol802357e","","","0.71073","MoKα","","0.101","0.0498","","","0.1145","0.1386","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503724","8.357","0.0007","8.9262","0.0008","9.6862","0.0008","104.725","0.004","105.038","0.004","91.747","0.004","671.28","0.1","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N2 O8 -","- C30 H32 N2 O8 -","- C30 H32 N2 O8 -","1","0.5","","Sánchez-García, David; Borrell, José I; Nonell, Santi","One-pot synthesis of substituted 2,2'-bipyrroles. A straightforward route to aryl porphycenes.","Organic letters","2009","11","1","77","79","10.1021/ol802380g","","","1.5418","CuKα","","0.086","0.0791","","0.1357","0.1329","0.1357","","","","","","1.1673","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503725","10.483","0.005","7.23","0.004","13.081","0.006","90","","107.27","0.04","90","","946.7","0.8","93.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 F3 N2 O2 S -","- C7 H7 F3 N2 O2 S -","- C28 H28 F12 N8 O8 S4 -","4","1","","Ochiai, Masahito; Kawano, Yufuko; Kaneaki, Takao; Tada, Norihiro; Miyamoto, Kazunori","Direct transfer of the sulfonylimino group of imino-lambda3-bromane to N-heterocycles and trialkylamines: synthesis of N-iminoammonium ylides under metal-free conditions.","Organic letters","2009","11","2","281","284","10.1021/ol802383f","","","0.71075","MoKα","","","0.0415","","","","0.1522","","","","","","1.195","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503726","6.808","0.003","9.009","0.003","10.357","0.004","65.29","0.03","81.76","0.03","66.58","0.03","529.3","0.4","93.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H7 F3 N2 O2 S -","- C10 H7 F3 N2 O2 S -","- C20 H14 F6 N4 O4 S2 -","2","1","","Ochiai, Masahito; Kawano, Yufuko; Kaneaki, Takao; Tada, Norihiro; Miyamoto, Kazunori","Direct transfer of the sulfonylimino group of imino-lambda3-bromane to N-heterocycles and trialkylamines: synthesis of N-iminoammonium ylides under metal-free conditions.","Organic letters","2009","11","2","281","284","10.1021/ol802383f","","","0.71075","MoKα","","","0.0332","","","","0.088","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503727","18.367","0.004","21.913","0.004","23.727","0.005","76.289","0.003","78.954","0.003","65.989","0.003","8426","3","140","2","140","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C50 H53 Br N2 O4 -","- C49.9398 H52.8193 Br0.9375 N2 O3.93975 -","- C399.518 H422.554 Br7.5 N16 O31.518 -","8","4","","Zhang, Zhenjun; Ferrence, Gregory M.; Lash, Timothy D.","adj-Diazuliporphyrins, a new family of dicarbaporphyrinoids with unprecedented mesoionic characteristics.","Organic letters","2009","11","1","101","104","10.1021/ol802406f","","x-ray","0.71073","MoKα","","0.4051","0.1696","","","0.4109","0.5022","","","","","","1.138","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503728","14.6447","0.0017","14.9621","0.0017","18.886","0.002","93.9934","0.0017","109.874","0.002","90.8206","0.0017","3879.1","0.8","173","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C46.6 H46.6 Cl1.8 N2 Pd -","- C46 H46 N2 Pd -","- C184 H184 N8 Pd4 -","4","2","","Zhang, Zhenjun; Ferrence, Gregory M.; Lash, Timothy D.","adj-Diazuliporphyrins, a new family of dicarbaporphyrinoids with unprecedented mesoionic characteristics.","Organic letters","2009","11","1","101","104","10.1021/ol802406f","","x-ray","0.71073","MoKα","","","0.0626","","","","0.171","","","","","","1.06","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503729","15.176","0.006","22.472","0.009","22.477","0.008","70.58","0.009","79.743","0.013","89.96","0.013","7100","5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 N O3 P S -","- C26 H26 N O3 P S -","- C312 H312 N12 O36 P12 S12 -","12","6","","Meng, Xiangtai; Huang, You; Chen, Ruyu","Bifunctional phosphine-catalyzed domino reaction: highly stereoselective synthesis of cis-2,3-dihydrobenzofurans from salicyl N-thiophosphinyl imines and allenes.","Organic letters","2009","11","1","137","140","10.1021/ol802453c","","","0.7107","MoKα","","0.2833","0.071","","","0.1303","0.2329","","","","","","0.954","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503730","9.291","0.003","23.68","0.007","11.16","0.004","90","","106.733","0.004","90","","2351.4","1.3","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H23 Br N O3 P S -","- C25 H23 Br N O3 P S -","- C100 H92 Br4 N4 O12 P4 S4 -","4","2","","Meng, Xiangtai; Huang, You; Chen, Ruyu","Bifunctional phosphine-catalyzed domino reaction: highly stereoselective synthesis of cis-2,3-dihydrobenzofurans from salicyl N-thiophosphinyl imines and allenes.","Organic letters","2009","11","1","137","140","10.1021/ol802453c","","","0.7107","MoKα","","0.0606","0.0428","","","0.0749","0.0832","","","","","","0.914","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503731","11.549","0.003","13.094","0.003","14.467","0.003","90","","90","","90","","2187.7","0.9","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N O P S -","- C23 H24 N O P S -","- C92 H96 N4 O4 P4 S4 -","4","1","","Meng, Xiangtai; Huang, You; Chen, Ruyu","Bifunctional phosphine-catalyzed domino reaction: highly stereoselective synthesis of cis-2,3-dihydrobenzofurans from salicyl N-thiophosphinyl imines and allenes.","Organic letters","2009","11","1","137","140","10.1021/ol802453c","","","0.71073","MoKα","","0.0615","0.04","","","0.0957","0.1082","","","","","","1.004","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503732","15.176","0.006","7.49","0.003","21.198","0.008","90","","100.869","0.015","90","","2366.3","1.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N O3 P S -","- C26 H26 N O3 P S -","- C104 H104 N4 O12 P4 S4 -","4","1","","Meng, Xiangtai; Huang, You; Chen, Ruyu","Bifunctional phosphine-catalyzed domino reaction: highly stereoselective synthesis of cis-2,3-dihydrobenzofurans from salicyl N-thiophosphinyl imines and allenes.","Organic letters","2009","11","1","137","140","10.1021/ol802453c","","","0.7107","MoKα","","0.1005","0.0607","","","0.133","0.1576","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503733","6.4397","0.0002","15.3604","0.0004","31.2247","0.001","90","","90","","90","","3088.63","0.16","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O5 -","- C15 H24 O5 -","- C120 H192 O40 -","8","2","","Zheng, Yongbiao; Shen, Yuemao","Clavicorolides A and B, sesquiterpenoids from the fermentation products of edible fungus Clavicorona pyxidata.","Organic letters","2009","11","1","109","112","10.1021/ol8024549","","","0.71073","MoKα","","0.0432","0.0363","","","0.0838","0.086","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503734","7.6492","0.0018","11.685","0.003","23.902","0.006","90","","90","","90","","2136.4","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Br O6 -","- C22 H24 Br O6 -","- C88 H96 Br4 O24 -","4","1","","Zheng, Yongbiao; Shen, Yuemao","Clavicorolides A and B, sesquiterpenoids from the fermentation products of edible fungus Clavicorona pyxidata.","Organic letters","2009","11","1","109","112","10.1021/ol8024549","","","0.71073","MoKα","","0.0821","0.0498","","","0.0863","0.0929","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503735","9.0642","0.0007","10.2306","0.0007","10.1873","0.0007","113.734","0.005","100.374","0.003","111.086","0.002","746.24","0.11","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H32 -","- C44 H32 -","- C44 H32 -","1","0.5","","Toyota, Shinji; Onishi, Hiroyuki; Kawai, Yoshihiro; Morimoto, Takaaki; Miyahara, Hiroaki; Iwanaga, Tetsuo; Wakamatsu, Kan","Stereogenic motif consisting of rigid ring and intraannular chains: isolation and structures of stereoisomers of 9-alkyl-1,8-anthrylene-butadiynylene cyclic dimers.","Organic letters","2009","11","2","321","324","10.1021/ol802488z","","","0.71069","MoKα","","0.0638","0.0617","","","0.1673","0.1703","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503736","11.1772","0.0007","11.9076","0.0014","13.265","0.003","72.87","0.012","72.915","0.014","68.027","0.009","1530.7","0.4","113","2","113","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H32 -","- C44 H32 -","- C88 H64 -","2","1","","Toyota, Shinji; Onishi, Hiroyuki; Kawai, Yoshihiro; Morimoto, Takaaki; Miyahara, Hiroaki; Iwanaga, Tetsuo; Wakamatsu, Kan","Stereogenic motif consisting of rigid ring and intraannular chains: isolation and structures of stereoisomers of 9-alkyl-1,8-anthrylene-butadiynylene cyclic dimers.","Organic letters","2009","11","2","321","324","10.1021/ol802488z","","","0.71069","MoKα","","0.1319","0.0586","","","0.1035","0.1344","","","","","","0.951","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503737","16.753","0.004","17.878","0.005","18.941","0.007","90","","90","","90","","5673","3","123","2","123","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C42 H28 -","- C42 H28 -","- C336 H224 -","8","1","","Toyota, Shinji; Onishi, Hiroyuki; Kawai, Yoshihiro; Morimoto, Takaaki; Miyahara, Hiroaki; Iwanaga, Tetsuo; Wakamatsu, Kan","Stereogenic motif consisting of rigid ring and intraannular chains: isolation and structures of stereoisomers of 9-alkyl-1,8-anthrylene-butadiynylene cyclic dimers.","Organic letters","2009","11","2","321","324","10.1021/ol802488z","","","0.71075","MoKα","","0.1694","0.0651","","","0.1264","0.1628","","","","","","0.98","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503738","17.9117","0.0006","17.9117","0.0006","17.9117","0.0006","90","","90","","90","","5746.6","0.3","150","1","150","1","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C42 H96 Cl8 N6 O2 -","- C42 H96 Cl8 N6 O2 -","- C168 H384 Cl32 N24 O8 -","4","0.166667","","Kim, Hyunwoo; Staikova, Mima; Lough, Alan J.; Chin, Jik","Stereospecific synthesis of alkyl-substituted vicinal diamines from the mother diamine: overcoming the ""intrinsic barrier"" to the diaza-Cope rearrangement reaction.","Organic letters","2009","11","1","157","160","10.1021/ol802496r","","","0.71073","MoKα","","0.0705","0.0468","","","0.1041","0.1177","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503739","5.9303","0.0003","10.3195","0.0007","39.85","0.003","90","","90","","90","","2438.7","0.3","150","1","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 N2 O2 -","- C28 H36 N2 O2 -","- C112 H144 N8 O8 -","4","1","","Kim, Hyunwoo; Staikova, Mima; Lough, Alan J.; Chin, Jik","Stereospecific synthesis of alkyl-substituted vicinal diamines from the mother diamine: overcoming the ""intrinsic barrier"" to the diaza-Cope rearrangement reaction.","Organic letters","2009","11","1","157","160","10.1021/ol802496r","","","0.71073","MoKα","","0.0799","0.0514","","","0.1223","0.1411","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503740","9.7907","0.0001","18.3356","0.0002","22.0661","0.0002","90","","90","","90","","3961.27","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N2 O2 -","- C22 H28 N2 O2 -","- C176 H224 N16 O16 -","8","2","","Kim, Hyunwoo; Staikova, Mima; Lough, Alan J.; Chin, Jik","Stereospecific synthesis of alkyl-substituted vicinal diamines from the mother diamine: overcoming the ""intrinsic barrier"" to the diaza-Cope rearrangement reaction.","Organic letters","2009","11","1","157","160","10.1021/ol802496r","","","1.54178","CuKα","","0.0251","0.0246","","","0.0648","0.0653","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503741","11.3462","0.001","20.7132","0.0017","24.828","0.002","90","","90","","90","","5835","0.8","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H80 N4 O12 -","- C66 H80 N4 O12 -","- C264 H320 N16 O48 -","4","1","","Nagase, Hiroshi; Watanabe, Akio; Harada, Masaya; Nakajima, Mayumi; Hasebe, Ko; Mochizuki, Hidenori; Yoza, Kenji; Fujii, Hideaki","Novel synthesis of a 1,3,5-trioxazatriquinane skeleton using a nitrogen clamp.","Organic letters","2009","11","3","539","542","10.1021/ol8024988","","","0.71073","MoKα","","0.0903","0.0512","","","0.1011","0.1153","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503742","8.5959","0.0005","11.3682","0.0004","8.9482","0.0005","90","","117.021","0.003","90","","778.97","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 O3 S -","- C17 H22 O3 S -","- C34 H44 O6 S2 -","2","1","","Mollat du Jourdin, Xavier; Noshi, Mohammad; Fuchs, P. L.","Designer discodermolide segments via ozonolysis of vinyl phosphonates.","Organic letters","2009","11","3","543","546","10.1021/ol802503h","","","0.71073","MO-Kα","","0.035","0.031","","","0.073","0.075","","","","","","1.091","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503743","12.5345","0.0015","13.0337","0.0015","24.721","0.003","90","","98.251","0.002","90","","3996.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl N O3 -","- C22 H22 Cl N O3 -","- C176 H176 Cl8 N8 O24 -","8","2","","Cheng, Xin; Liang, Fushun; Shi, Fan; Zhang, Lei; Liu, Qun","One-pot tandem double-aldol reaction/aza-addition of acetylacetamides and o-phthalaldehyde leading to spiroindan-2,2'-pyrrolidines.","Organic letters","2009","11","1","93","96","10.1021/ol802507y","","","0.71073","MoKα","","0.1201","0.0817","","","0.2066","0.2302","","","","","","1.194","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503744","20.435","0.0013","20.435","","28.385","0.0019","90","","90","","90","","11853.3","1.1","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C32 H33 N O6 -","- C32 H29 N O6 -","- C512 H464 N16 O96 -","16","1","","Cheng, Xin; Liang, Fushun; Shi, Fan; Zhang, Lei; Liu, Qun","One-pot tandem double-aldol reaction/aza-addition of acetylacetamides and o-phthalaldehyde leading to spiroindan-2,2'-pyrrolidines.","Organic letters","2009","11","1","93","96","10.1021/ol802507y","","","0.71069","MoKα","","0.1066","0.0739","","","0.1783","0.2001","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503745","6.2462","0.0001","10.9131","0.0003","21.5977","0.0006","89.2207","0.0011","85.5827","0.0013","81.5275","0.0013","1451.82","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 N4 O3 -","- C35 H32 N4 O3 -","- C70 H64 N8 O6 -","2","1","","Scheffelaar, Rachel; Paravidino, Monica; Muilwijk, Daan; Lutz, Martin; Spek, Anthony L.; de Kanter, Frans J. J.; Orru, Romano V. A.; Ruijter, Eelco","A novel three-component reaction toward dihydrooxazolopyridines.","Organic letters","2009","11","1","125","128","10.1021/ol802515v","","","0.71073","MoKα","","0.0924","0.0516","","","0.1039","0.1189","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503746","9.4102","0.0007","10.0875","0.0008","11.9042","0.0009","92.665","0.002","100.089","0.002","106.574","0.001","1060.73","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N O4 -","- C26 H25 N O4 -","- C52 H50 N2 O8 -","2","1","","Murarka, Sandip; Zhang, Chen; Konieczynska, Marlena D.; Seidel, Daniel","Lewis acid catalyzed formation of tetrahydroquinolines via an intramolecular redox process.","Organic letters","2009","11","1","129","132","10.1021/ol802519r","","","0.71073","MoKα","","0.0742","0.0586","","","0.1335","0.1427","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503747","14.3528","0.0007","15.0877","0.0007","15.1959","0.0006","90","","90","","90","","3290.7","0.3","193","2","193","2","","","","","","","chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","JYW02157","Dichloro(6-methyl-2-((α-methyl)benzyliminomethyl)pyridine-N,N')iron(II)","","- C15 H16 Cl2 Fe N2 -","- C15 H16 Cl2 Fe N2 -","- C120 H128 Cl16 Fe8 N16 -","8","2","","Moreau, Benoît; Wu, Jessica Y.; Ritter, Tobias","Iron-catalyzed 1,4-addition of alpha-olefins to dienes.","Organic letters","2009","11","2","337","339","10.1021/ol802524r","","","0.71073","MoKα","","0.0944","0.0464","","","0.0849","0.1029","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503748","12.596","0.003","17.629","0.004","20.182","0.003","90","","90","","90","","4481.5","1.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H28 N O5 P S -","- C22 H28 N O5 P S -","- C176 H224 N8 O40 P8 S8 -","8","1","","Shintani, Ryo; Murakami, Masataka; Hayashi, Tamio","Stereoselective synthesis of nipecotic acid derivatives via palladium-catalyzed decarboxylative cyclization of gamma-methylidene-delta-valerolactones with imines.","Organic letters","2009","11","2","457","459","10.1021/ol802569q","","","0.71075","MoKα","","0.059","0.0484","","","0.1265","0.1321","","","","","","1.037","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503749","10.7995","0.0007","17.4049","0.0012","22.8146","0.0016","90","","90","","90","","4288.3","0.5","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H63 N3 O -","- C51 H63 N3 O -","- C204 H252 N12 O4 -","4","1","","Simonovic, Stevan; Frison, Jean-Cédric; Koyuncu, Hasan; Whitwood, Adrian C.; Douthwaite, Richard E.","Addition of N-heterocyclic carbenes to imines: phenoxide assisted deprotonation of an imidazolium moiety and generation of breslow intermediates derived from imines.","Organic letters","2009","11","1","245","247","10.1021/ol802572n","","","0.71073","MoKα","","0.0698","0.0475","","","0.0887","0.0972","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503750","9.53356","0.00012","8.72657","0.0001","13.20228","0.00016","90","","91.5371","0.0011","90","","1097.97","0.02","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 N4 O3 -","- C25 H28 N4 O3 -","- C50 H56 N8 O6 -","2","1","","Simonovic, Stevan; Frison, Jean-Cédric; Koyuncu, Hasan; Whitwood, Adrian C.; Douthwaite, Richard E.","Addition of N-heterocyclic carbenes to imines: phenoxide assisted deprotonation of an imidazolium moiety and generation of breslow intermediates derived from imines.","Organic letters","2009","11","1","245","247","10.1021/ol802572n","","","1.5418","CuKα","","0.032","0.0298","","","0.0741","0.084","","","","","","1.128","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503751","12.131","0.0009","8.3322","0.0006","16.6628","0.0012","90","","107.938","0.002","90","","1602.4","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 B F4 N3 -","- C15 H20 B F4 N3 -","- C60 H80 B4 F16 N12 -","4","1","","Simonovic, Stevan; Frison, Jean-Cédric; Koyuncu, Hasan; Whitwood, Adrian C.; Douthwaite, Richard E.","Addition of N-heterocyclic carbenes to imines: phenoxide assisted deprotonation of an imidazolium moiety and generation of breslow intermediates derived from imines.","Organic letters","2009","11","1","245","247","10.1021/ol802572n","","","0.71073","MoKα","","0.0583","0.0434","","","0.107","0.1152","","","","","","1.026","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503752","11.5544","0.0007","14.9444","0.0009","17.0869","0.001","103.938","0.001","107.235","0.001","99.474","0.001","2644.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H50 Cl3 Ir N4 O2 S4 -","- C56 H50 Cl3 Ir N4 O2 S4 -","- C112 H100 Cl6 Ir2 N8 O4 S8 -","2","1","","Tan, Wenjuan; Zhang, Qiong; Zhang, Junji; Tian, He","Near-infrared photochromic diarylethene iridium (III) complex.","Organic letters","2009","11","1","161","164","10.1021/ol802580m","","","0.71073","MoKα","","0.0595","0.0526","","","0.1333","0.1364","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503753","10.3952","0.001","10.8758","0.0011","16.4618","0.0016","90","","93.302","0.001","90","","1858","0.3","103","","103","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl N3 O Rh -","- C20 H19 Cl N3 O Rh -","- C80 H76 Cl4 N12 O4 Rh4 -","4","1","","Rosenberg, Marianne Lenes; Krivokapic, Alexander; Tilset, Mats","Highly cis-selective cyclopropanations with ethyl diazoacetate using a novel Rh(I) catalyst with a chelating N-heterocyclic iminocarbene ligand.","Organic letters","2009","11","3","547","550","10.1021/ol802591j","","","0.71073","MoKα","","0.0418","0.0282","","0.0363","0.0311","0.0296","","","","","","1.0973","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503754","16.428","0.002","6.3139","0.0008","18.813","0.002","90","","106.092","0.002","90","","1874.9","0.4","90","1","90","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 Cl O -","- C22 H21 Cl O -","- C88 H84 Cl4 O4 -","4","2","","Denton, Justin R.; Davies, Huw M. L.","Enantioselective reactions of donor/acceptor carbenoids derived from alpha-aryl-alpha-diazoketones.","Organic letters","2009","11","4","787","790","10.1021/ol802614j","","","0.71073","MoKα","","0.0498","0.0342","","","0.0816","0.0899","","","","","","1.044","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503755","20.6795","0.0012","21.847","0.0008","15.223","0.0007","90","","101.267","0.005","90","","6745","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C128 H190 F24 N8 O18 P4 -","- C128 H190 F24 N8 O18 P4 -","- C256 H380 F48 N16 O36 P8 -","2","0.5","","Chuang, Chun-Ju; Li, Wan-Sheung; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chao, Ito; Chiu, Sheng-Hsien","A molecular cage-based [2]rotaxane that behaves as a molecular muscle.","Organic letters","2009","11","2","385","388","10.1021/ol802648h","","","1.54184","CuKα","","0.1167","0.0627","","","0.1604","0.1822","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503756","7.6126","0.0003","8.8251","0.0003","8.951","0.0004","71.693","0.001","87.453","0.002","78.227","0.002","558.78","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C24 H32 O8 -","2","1","","Yu, Binxun; Jiang, Tuo; Quan, Weiguo; Li, Junpeng; Pan, Xinfu; She, Xuegong","An efficient method for construction of the angularly fused 6,3,5-tricyclic skeleton of mycorrhizin A and its analogues.","Organic letters","2009","11","3","629","632","10.1021/ol8026895","","","0.71073","MoKα","","0.0515","0.0474","","","0.1394","0.144","","","","","","0.88","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503757","14.751","0.011","6.363","0.005","19.945","0.011","90","","127.43","0.04","90","","1487","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O6 -","- C15 H22 O6 -","- C60 H88 O24 -","4","1","","Yu, Binxun; Jiang, Tuo; Quan, Weiguo; Li, Junpeng; Pan, Xinfu; She, Xuegong","An efficient method for construction of the angularly fused 6,3,5-tricyclic skeleton of mycorrhizin A and its analogues.","Organic letters","2009","11","3","629","632","10.1021/ol8026895","","","0.71073","MoKα","","0.1374","0.1142","","","0.2845","0.3222","","","","","","1.132","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503758","9.3395","0.0005","10.0113","0.0006","26.2699","0.0015","90","","95.589","0.003","90","","2444.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H67 N5 O5 -","- C55 H67 N5 O5 -","- C110 H134 N10 O10 -","2","1","","Han, Chong; Rangarajan, Sathish; Voukides, Alicia C.; Beeler, Aaron B.; Johnson, Richard; Porco, Jr, John A","Reaction discovery employing macrocycles: transannular cyclizations of macrocyclic bis-lactams.","Organic letters","2009","11","2","413","416","10.1021/ol802729f","","","0.71073","MoKα","","0.0569","0.0409","","","0.0888","0.0962","","","","","","1.004","","","","has coordinates","287880","2023-11-30","10:41:12",""
"1503759","7.2454","0.0005","10.8673","0.0006","13.585","0.0009","90","","93.327","0.004","90","","1067.85","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C52 H60 N4 O4 -","2","1","","Han, Chong; Rangarajan, Sathish; Voukides, Alicia C.; Beeler, Aaron B.; Johnson, Richard; Porco, Jr, John A","Reaction discovery employing macrocycles: transannular cyclizations of macrocyclic bis-lactams.","Organic letters","2009","11","2","413","416","10.1021/ol802729f","","","0.71073","MoKα","","0.0443","0.0359","","","0.0874","0.0927","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503760","10.3629","0.0019","14.474","0.003","15.641","0.003","90","","90","","90","","2346","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 N2 O2 -","- C28 H34 N2 O2 -","- C112 H136 N8 O8 -","4","1","","Han, Chong; Rangarajan, Sathish; Voukides, Alicia C.; Beeler, Aaron B.; Johnson, Richard; Porco, Jr, John A","Reaction discovery employing macrocycles: transannular cyclizations of macrocyclic bis-lactams.","Organic letters","2009","11","2","413","416","10.1021/ol802729f","","","0.71073","MoKα","","0.0718","0.0498","","","0.1118","0.1237","","","","","","0.927","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503761","29.9907","0.0003","29.9907","0.0003","9.3564","0.0002","90","","90","","120","","7288.07","0.19","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H20 Br N O -","- C17 H20 Br N O -","- C306 H360 Br18 N18 O18 -","18","1","","Yang, Yong-Sheng; Shen, Zhi-Liang; Loh, Teck-Peng","Indium (zinc)-copper-mediated Barbier-type alkylation reaction of nitrones in water: synthesis of amines and hydroxylamines.","Organic letters","2009","11","6","1209","1212","10.1021/ol8027362","","","0.71073","MoKα","","0.0747","0.0589","","","0.1666","0.1732","","","","","","1.184","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503762","29.6684","0.0003","29.6684","0.0003","9.2429","0.0003","90","","90","","120","","7045.7","0.2","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H20 Cl N O -","- C17 H20 Cl N O -","- C306 H360 Cl18 N18 O18 -","18","1","","Yang, Yong-Sheng; Shen, Zhi-Liang; Loh, Teck-Peng","Indium (zinc)-copper-mediated Barbier-type alkylation reaction of nitrones in water: synthesis of amines and hydroxylamines.","Organic letters","2009","11","6","1209","1212","10.1021/ol8027362","","","0.71073","MoKα","","0.0599","0.0415","","","0.1074","0.1191","","","","","","1.077","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503763","5.996","0.002","24.823","0.009","12.835","0.005","90","","102.088","0.006","90","","1868","1.2","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 Br O3 -","- C21 H21 Br O3 -","- C84 H84 Br4 O12 -","4","2","","Kaeobamrung, Juthanat; Bode, Jeffrey W.","Stereodivergency of triazolium and imidazolium-derived NHCs for catalytic, enantioselective cyclopentane synthesis.","Organic letters","2009","11","3","677","680","10.1021/ol802739d","","","0.71073","MoKα","","0.3614","0.0644","","","0.1063","0.1368","","","","","","0.604","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503764","6.108","0.002","17.021","0.006","17.923","0.007","90","","90","","90","","1863.4","1.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O3 -","- C21 H21 Br O3 -","- C84 H84 Br4 O12 -","4","1","","Kaeobamrung, Juthanat; Bode, Jeffrey W.","Stereodivergency of triazolium and imidazolium-derived NHCs for catalytic, enantioselective cyclopentane synthesis.","Organic letters","2009","11","3","677","680","10.1021/ol802739d","","","0.71073","MoKα","","0.2082","0.0568","","","0.1177","0.155","","","","","","0.778","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503765","6.843","0.003","15.583","0.007","17.024","0.007","90","","90","","90","","1815.3","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Br O5 -","- C18 H21 Br O5 -","- C72 H84 Br4 O20 -","4","1","","Kaeobamrung, Juthanat; Bode, Jeffrey W.","Stereodivergency of triazolium and imidazolium-derived NHCs for catalytic, enantioselective cyclopentane synthesis.","Organic letters","2009","11","3","677","680","10.1021/ol802739d","","","0.71073","MoKα","","0.2654","0.0673","","","0.1332","0.1715","","","","","","0.756","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503766","6.9519","0.0007","9.6821","0.001","27.119","0.003","90","","90","","90","","1825.4","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Br O5 -","- C18 H21 Br O5 -","- C72 H84 Br4 O20 -","4","1","","Kaeobamrung, Juthanat; Bode, Jeffrey W.","Stereodivergency of triazolium and imidazolium-derived NHCs for catalytic, enantioselective cyclopentane synthesis.","Organic letters","2009","11","3","677","680","10.1021/ol802739d","","","0.71073","MoKα","","0.0456","0.039","","","0.1036","0.1088","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503767","8.0126","0.001","9.7287","0.0011","12.6512","0.0012","90","","91.24","0.005","90","","985.96","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N S2 -","- C10 H11 N S2 -","- C40 H44 N4 S8 -","4","1","","Kaeothip, Sophon; Pornsuriyasak, Papapida; Rath, Nigam P.; Demchenko, Alexei V.","Unexpected orthogonality of S-benzoxazolyl and S-thiazolinyl glycosides: application to expeditious oligosaccharide assembly.","Organic letters","2009","11","4","799","802","10.1021/ol802740b","","","0.71073","MoKα","","0.0327","0.0301","","","0.0781","0.0799","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503768","4.6217","0.0003","11.4672","0.0006","21.6268","0.0012","90","","90","","90","","1146.18","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O S -","- C14 H11 N O S -","- C56 H44 N4 O4 S4 -","4","1","","Kaeothip, Sophon; Pornsuriyasak, Papapida; Rath, Nigam P.; Demchenko, Alexei V.","Unexpected orthogonality of S-benzoxazolyl and S-thiazolinyl glycosides: application to expeditious oligosaccharide assembly.","Organic letters","2009","11","4","799","802","10.1021/ol802740b","","","0.71073","MoKα","","0.0366","0.0322","","","0.0745","0.0766","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503769","8.5973","0.001","13.7008","0.0016","15.9798","0.0019","90","","105.287","0.002","90","","1815.7","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 F Si -","- C19 H25 F Si -","- C76 H100 F4 Si4 -","4","1","","Landelle, Grégory; Champagne, Pier Alexandre; Barbeau, Xavier; Paquin, Jean-François","Stereocontrolled approach to bromofluoroalkenes and their use for the synthesis of tri- and tetrasubstituted fluoroalkenes.","Organic letters","2009","11","3","681","684","10.1021/ol8027412","","","0.71073","MoKα","","0.1305","0.0621","","","0.1385","0.1635","","","","","","1.197","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503770","8.357","0.003","19.249","0.008","7.358","0.003","90","","101.653","0.004","90","","1159.2","0.8","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Br F -","- C12 H14 Br F -","- C48 H56 Br4 F4 -","4","1","","Landelle, Grégory; Champagne, Pier Alexandre; Barbeau, Xavier; Paquin, Jean-François","Stereocontrolled approach to bromofluoroalkenes and their use for the synthesis of tri- and tetrasubstituted fluoroalkenes.","Organic letters","2009","11","3","681","684","10.1021/ol8027412","","","0.71073","MoKα","","0.1004","0.0626","","","0.1473","0.1659","","","","","","1.149","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503771","9.1318","0.0005","12.3053","0.0007","17.1245","0.001","90","","93.359","0.001","90","","1920.97","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C96 H84 N4 O12 S4 -","4","1","","Jayanth, Thiruvellore Thatai; Zhang, Lei; Johnson, Thomas S.; Malinakova, Helena C.","Sequential Cu(I)/Pd(0)-catalyzed multicomponent coupling and annulation protocol for the synthesis of indenoisoquinolines.","Organic letters","2009","11","4","815","818","10.1021/ol802755z","","","0.71073","MoKα","","0.0462","0.0411","","","0.1087","0.1124","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503772","10.1531","0.0005","23.5585","0.0011","9.4532","0.0004","90","","101.643","0.001","90","","2214.6","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 N O2 -","- C30 H25 N O2 -","- C120 H100 N4 O8 -","4","1","","Jayanth, Thiruvellore Thatai; Zhang, Lei; Johnson, Thomas S.; Malinakova, Helena C.","Sequential Cu(I)/Pd(0)-catalyzed multicomponent coupling and annulation protocol for the synthesis of indenoisoquinolines.","Organic letters","2009","11","4","815","818","10.1021/ol802755z","","","0.71073","MoKα","","0.0487","0.0429","","","0.1183","0.1215","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503773","9.5541","0.0017","10.3489","0.0019","10.431","0.002","85.898","0.002","79.88","0.003","78.751","0.003","995.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 N O S -","- C27 H19 N O S -","- C54 H38 N2 O2 S2 -","2","1","","Jayanth, Thiruvellore Thatai; Zhang, Lei; Johnson, Thomas S.; Malinakova, Helena C.","Sequential Cu(I)/Pd(0)-catalyzed multicomponent coupling and annulation protocol for the synthesis of indenoisoquinolines.","Organic letters","2009","11","4","815","818","10.1021/ol802755z","","","0.71073","MoKα","","0.0602","0.0554","","","0.1456","0.1495","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503774","7.2689","0.0015","7.8204","0.0016","15.025","0.003","103.85","0.03","99.4","0.03","92.57","0.03","815","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 F3 N2 O5 S -","- C14 H19 F3 N2 O5 S -","- C28 H38 F6 N4 O10 S2 -","2","1","","Jones, Raymond C. F.; Yau, Sze Chak; Iley, James N.; Smith, Janet E.; Dickson, James; Elsegood, Mark R. J.; McKee, Vickie; Coles, Simon J.","Synthesis of the pyoverdin chromophore by a biomimetic oxidative cyclization.","Organic letters","2009","11","7","1519","1522","10.1021/ol802804c","","","0.71073","MoKα","","0.1347","0.0613","","","0.1305","0.1594","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503775","10.3397","0.0008","17.5817","0.0014","10.951","0.0009","90","","114.243","0.002","90","","1815.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 F3 N2 O5 S -","- C15 H21 F3 N2 O5 S -","- C60 H84 F12 N8 O20 S4 -","4","1","","Jones, Raymond C. F.; Yau, Sze Chak; Iley, James N.; Smith, Janet E.; Dickson, James; Elsegood, Mark R. J.; McKee, Vickie; Coles, Simon J.","Synthesis of the pyoverdin chromophore by a biomimetic oxidative cyclization.","Organic letters","2009","11","7","1519","1522","10.1021/ol802804c","","","0.71073","MoKα","","0.0899","0.054","","","0.1143","0.1386","","","","","","1.048","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503776","7.7502","0.001","10.3944","0.0014","19.814","0.003","90","","101.093","0.002","90","","1566.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 F3 N2 O4 S -","- C14 H17 F3 N2 O4 S -","- C56 H68 F12 N8 O16 S4 -","4","1","","Jones, Raymond C. F.; Yau, Sze Chak; Iley, James N.; Smith, Janet E.; Dickson, James; Elsegood, Mark R. J.; McKee, Vickie; Coles, Simon J.","Synthesis of the pyoverdin chromophore by a biomimetic oxidative cyclization.","Organic letters","2009","11","7","1519","1522","10.1021/ol802804c","","","0.71073","MoKα","","0.0567","0.0423","","","0.1049","0.1154","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503777","6.6746","0.0012","22.837","0.004","10.1575","0.0018","90","","94.556","0.003","90","","1543.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F3 N2 O4 S -","- C14 H15 F3 N2 O4 S -","- C56 H60 F12 N8 O16 S4 -","4","1","","Jones, Raymond C. F.; Yau, Sze Chak; Iley, James N.; Smith, Janet E.; Dickson, James; Elsegood, Mark R. J.; McKee, Vickie; Coles, Simon J.","Synthesis of the pyoverdin chromophore by a biomimetic oxidative cyclization.","Organic letters","2009","11","7","1519","1522","10.1021/ol802804c","","","0.71073","MoKα","","0.1185","0.097","","","0.2538","0.2635","","","","","","1.187","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503778","39.015","0.003","9.2033","0.0009","23.6697","0.0019","90","","101.259","0.006","90","","8335.4","1.2","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C41.25 H50 O13.13 -","- C41.25 H50 O13.125 -","- C330 H400 O105 -","8","2","","Boone, Matthew A.; McDonald, Frank E.; Lichter, Joseph; Lutz, Stefan; Cao, Rui; Hardcastle, Kenneth I.","1,5-Alpha-D-mannoseptanosides, ring-size isomers that are impervious to alpha-mannosidase-catalyzed hydrolysis.","Organic letters","2009","11","4","851","854","10.1021/ol8028065","","","1.54178","CuKα","","0.1392","0.0935","","","0.2368","0.2752","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503779","20.217","0.004","8.3327","0.0017","20.468","0.004","90","","118.75","0.03","90","","3023","1.4","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O -","- C20 H15 N O -","- C160 H120 N8 O8 -","8","2","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Petrovskii, Petr P.; Magull, Joerg; Ringe, Arne","Dibenzoxazepinium ylides: facile access and 1,3-dipolar cycloaddition reactions.","Organic letters","2009","11","4","979","982","10.1021/ol802813a","","","0.71073","MoKα","","0.0822","0.0543","","","0.1393","0.1537","","","","","","0.99","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503780","10.3315","0.0005","15.7434","0.0007","13.1736","0.0007","90","","96.878","0.004","90","","2127.3","0.18","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N O5 -","- C26 H23 N O5 -","- C104 H92 N4 O20 -","4","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Petrovskii, Petr P.; Magull, Joerg; Ringe, Arne","Dibenzoxazepinium ylides: facile access and 1,3-dipolar cycloaddition reactions.","Organic letters","2009","11","4","979","982","10.1021/ol802813a","","","0.71073","MoKα","","0.1177","0.0606","","","0.0876","0.1013","","","","","","1.025","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503781","10.9075","0.0005","9.5213","0.0004","18.1729","0.0008","90","","94.797","0.004","90","","1880.71","0.14","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N3 O -","- C24 H17 N3 O -","- C96 H68 N12 O4 -","4","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Petrovskii, Petr P.; Magull, Joerg; Ringe, Arne","Dibenzoxazepinium ylides: facile access and 1,3-dipolar cycloaddition reactions.","Organic letters","2009","11","4","979","982","10.1021/ol802813a","","","0.71073","MoKα","","0.1018","0.0569","","","0.1157","0.1326","","","","","","0.973","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503782","9.029","0.0003","15.9351","0.0004","9.0668","0.0003","90","","108.686","0.001","90","","1235.75","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Hui, Benjamin Wei-Qiang; Chiba, Shunsuke","Orthogonal synthesis of isoindole and isoquinoline derivatives from organic azides.","Organic letters","2009","11","3","729","732","10.1021/ol802816k","","","0.71073","MoKα","","0.0547","0.041","","","0.1106","0.1217","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503783","10.3939","0.0003","9.2953","0.0003","13.5126","0.0005","90","","97.486","0.002","90","","1294.38","0.07","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","","Hui, Benjamin Wei-Qiang; Chiba, Shunsuke","Orthogonal synthesis of isoindole and isoquinoline derivatives from organic azides.","Organic letters","2009","11","3","729","732","10.1021/ol802816k","","","0.71073","MoKα","","0.0647","0.0451","","","0.1214","0.1345","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503784","12.936","0.001","13.306","0.002","15.561","0.001","98.33","0.01","96.83","0.01","89.96","0.01","2631","0.5","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C56.25 H50.5 Cl1.5 N5 O19.5 -","- C56.25 H50.5 Cl1.5 N5 O19.5 -","- C112.5 H101 Cl3 N10 O39 -","2","2","","Legouin, Béatrice; Uriac, Philippe; Tomasi, Sophie; Toupet, Loïc; Bondon, Arnaud; van de Weghe, Pierre","Novel chiral molecular tweezer from (+)-usnic acid","Organic letters","2009","11","3","745","748","10.1021/ol802842m","","","0.71073","MoKα","","0.0781","0.059","","","0.161","0.1756","","","","","","0.855","","","","has coordinates,has disorder","189517","2020-10-21","18:00:00",""
"1503785","8.9946","0.0005","19.779","0.001","22.9368","0.0012","90","","90","","90","","4080.6","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 F6 N4 O9 Pd S2 -","- C38 H32 F6 N4 O8.8 Pd S2 -","- C152 H128 F24 N16 O35.2 Pd4 S8 -","4","1","","Ma, Guang-Ning; Zhang, Tao; Shi, Min","Catalytic enantioselective arylation of N-tosylarylimines with arylboronic acids using C2-symmetric cationic N-heterocyclic carbene Pd(2+) diaquo complexes.","Organic letters","2009","11","4","875","878","10.1021/ol802861s","","","0.71073","MoKα","","0.0806","0.0507","","","0.0966","0.1174","","","","","","0.873","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503786","17.0749","0.0005","24.0641","0.0006","24.8996","0.0006","90","","90","","90","","10231","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C39 H36 O11 -","- C39 H36 O11 -","- C468 H432 O132 -","12","3","","Gong, Hegui; Andrews, R. Stephen; Zuccarello, Joseph L.; Lee, Stephen J.; Gagné, Michel R","Sn-free Ni-catalyzed reductive coupling of glycosyl bromides with activated alkenes.","Organic letters","2009","11","4","879","882","10.1021/ol8028737","","","0.71073","MoKα","","0.1268","0.0661","","","0.1615","0.2006","","","","","","1.01","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503787","6.5763","0.0001","7.6247","0.0001","21.0655","0.0003","90","","98.511","0.001","90","","1044.64","0.03","193","2","193","2","","","","","","","chemical synthesis","5","P 1 21 1","P 2yb","4","RSK-VI-047","(R)-tert-Butyl 1-(3-Bromophenyl)-7-methoxy-3,4-dihydro-1H- pyrido[3,4-b]indole-2(9H)-carboxylate","","- C23 H25 Br N2 O3 -","- C23 H25 Br N2 O3 -","- C46 H50 Br2 N4 O6 -","2","1","","Klausen, Rebekka S.; Jacobsen, Eric N.","Weak Brønsted acid-thiourea co-catalysis: enantioselective, catalytic protio-Pictet-Spengler reactions.","Organic letters","2009","11","4","887","890","10.1021/ol802887h","","","0.71073","MoKα","","0.0537","0.0396","","","0.0981","0.104","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503788","18.02","0.003","18.02","0.003","7.3542","0.0015","90","","90","","90","","2388.1","0.7","143","2","143","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C42 H52 O18 S4 -","- C42 H52 O18 S4 -","- C84 H104 O36 S8 -","2","0.25","","Geng, Mingwei; Zhang, Dechun; Wu, Xiangxiang; He, Lan; Gong, Bing","One-pot formation and characterization of macrocyclic aromatic tetrasulfonates.","Organic letters","2009","11","4","923","926","10.1021/ol8028884","","","0.71073","MoKα","","0.0428","0.0343","","","0.0771","0.0792","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503789","17.984","0.004","19.53","0.004","28.447","0.006","90","","90","","90","","9991","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H58 O17 S4 -","- C45 H58 O17 S4 -","- C360 H464 O136 S32 -","8","2","","Geng, Mingwei; Zhang, Dechun; Wu, Xiangxiang; He, Lan; Gong, Bing","One-pot formation and characterization of macrocyclic aromatic tetrasulfonates.","Organic letters","2009","11","4","923","926","10.1021/ol8028884","","","0.71073","MoKα","","0.068","0.0444","","","0.0947","0.1","","","","","","0.913","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503790","12.171","0.002","29.543","0.006","17.148","0.003","90","","101.92","0.03","90","","6033","2","143","2","143","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C58 H72 O18 S4 -","- C58 H72 O18 S4 -","- C232 H288 O72 S16 -","4","1","","Geng, Mingwei; Zhang, Dechun; Wu, Xiangxiang; He, Lan; Gong, Bing","One-pot formation and characterization of macrocyclic aromatic tetrasulfonates.","Organic letters","2009","11","4","923","926","10.1021/ol8028884","","","0.71073","MoKα","","0.0591","0.0409","","","0.0902","0.098","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503791","9.594","0.0019","13.94","0.003","15.684","0.003","110.19","0.03","99.46","0.03","98.73","0.03","1892","0.9","143","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C71 H94 O21 S4 -","- C71 H94 O21 S4 -","- C71 H94 O21 S4 -","1","0.5","","Geng, Mingwei; Zhang, Dechun; Wu, Xiangxiang; He, Lan; Gong, Bing","One-pot formation and characterization of macrocyclic aromatic tetrasulfonates.","Organic letters","2009","11","4","923","926","10.1021/ol8028884","","","0.71073","MoKα","","0.0611","0.0449","","","0.1128","0.1185","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503792","13.203","0.003","12.335","0.003","20.643","0.004","90","","100.89","0.03","90","","3301.4","1.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H76 N2 O18 S4 -","- C66 H76 N2 O18 S4 -","- C132 H152 N4 O36 S8 -","2","1","","Geng, Mingwei; Zhang, Dechun; Wu, Xiangxiang; He, Lan; Gong, Bing","One-pot formation and characterization of macrocyclic aromatic tetrasulfonates.","Organic letters","2009","11","4","923","926","10.1021/ol8028884","","","0.71073","MoKα","","0.0832","0.0704","","","0.1838","0.1918","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503793","8.5417","0.0002","10.2807","0.0002","12.64","0.0003","102.85","0.001","90.091","0.001","91.488","0.001","1081.78","0.04","90","2","90","2","","","","","","","","4","P 1","P 1","1","7,6-spirolactam","(1<i>R</i>,6<i>R</i>)-1-Methyl-8-azaspiro[5.6]dodecan-7-one","","- C12 H21 N O -","- C12 H21 N O -","- C48 H84 N4 O4 -","4","4","DN2350","Guéret, Stéphanie M; O'Connor, Patrick D; Brimble, Margaret A.","Synthesis of enantiopure bicyclic alpha,alpha-disubstituted spirolactams via asymmetric Birch reductive alkylation.","Organic letters","2009","11","4","963","966","10.1021/ol8029017","","","0.71073","MoKα","","0.0438","0.0396","","","0.1003","0.1038","","","","","","1.018","","","","has coordinates","208164","2020-10-21","18:00:00",""
"1503794","6.121","0.005","34.927","0.005","8.13","0.005","90","0.005","95.221","0.005","90","0.005","1730.9","1.8","293","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","2","","García-Rubín, Silvia; Varela, Jesús A; Castedo, Luis; Saá, Carlos","6Pi e- versus 8pi e- electrocyclization of 1-aryl- and heteroaryl-substituted (1Z,3Z)-1,3,5-hexatrienes: a matter of aromaticity.","Organic letters","2009","11","4","983","986","10.1021/ol802925q","","x-ray","0.7107","MoKα","","0.0994","0.0668","","","0.1516","0.1655","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503795","12.7621","0.0009","10.3023","0.0007","18.3961","0.0014","90","","91.613","0.005","90","","2417.7","0.3","110","2","110","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N O6 -","- C27 H31 N O6 -","- C108 H124 N4 O24 -","4","1","","García-Rubín, Silvia; Varela, Jesús A; Castedo, Luis; Saá, Carlos","6Pi e- versus 8pi e- electrocyclization of 1-aryl- and heteroaryl-substituted (1Z,3Z)-1,3,5-hexatrienes: a matter of aromaticity.","Organic letters","2009","11","4","983","986","10.1021/ol802925q","","x-ray","0.7107","MoKα","","0.0748","0.0445","","","0.1166","0.1279","","","","","","1.131","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503796","7.6317","0.0004","9.9884","0.0006","12.0719","0.0006","97.369","0.003","93.452","0.003","93.91","0.003","908.28","0.09","100","2","100","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C22 H22 O5 -","- C22 H22 O5 -","- C44 H44 O10 -","2","1","","García-Rubín, Silvia; Varela, Jesús A; Castedo, Luis; Saá, Carlos","6Pi e- versus 8pi e- electrocyclization of 1-aryl- and heteroaryl-substituted (1Z,3Z)-1,3,5-hexatrienes: a matter of aromaticity.","Organic letters","2009","11","4","983","986","10.1021/ol802925q","","x-ray","0.71069","MoKα","","0.0426","0.0387","","","0.0976","0.0999","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503797","10.599","0.002","12.26","0.003","18.013","0.004","79.539","0.004","86.515","0.004","78.451","0.004","2254.4","0.9","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C48 H55 F6 N5 O4 -","- C48 H55 F6 N5 O4 -","- C96 H110 F12 N10 O8 -","2","1","","Zhang, Zhenjun; Ferrence, Gregory M.; Lash, Timothy D.","MacDonald-type reactions using bis-acrylaldehydes: synthesis of an expanded sapphyrin and vinylogous hexaphyrins.","Organic letters","2009","11","6","1249","1252","10.1021/ol802945s","","x-ray","0.71073","MoKα","","0.0959","0.0567","","","0.1291","0.1486","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503798","11.725","0.003","13.381","0.003","17.617","0.004","90","","90","","90","","2764","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C120 H144 N16 O16 -","8","1","","Wang, Kewei; Fu, Xiaolan; Liu, Jinying; Liang, Yongjiu; Dong, Dewen","PIFA-mediated oxidative cyclization of 1-carbamoyl-1-oximylcycloalkanes: synthesis of spiro-fused pyrazolin-5-one N-oxides.","Organic letters","2009","11","4","1015","1018","10.1021/ol802952e","","","0.71069","MoKα","","0.1725","0.0987","","","0.1735","0.2009","","","","","","1.166","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503799","13.96","0.01","14.59","0.02","15.59","0.02","115.43","0.04","94.94","0.04","96.77","0.04","2814","6","123","2","123","2","","","","","","","synthesis","4","P 1","P 1","1","Cbz-{(1S,3S)-Ac5cOM}6-OMe","","","- C54 H80 N6 O16 -","- C54 H80 N6 O16 -","- C108 H160 N12 O32 -","2","2","","Nagano, Masanobu; Tanaka, Masakazu; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Helical-screw directions of diastereoisomeric cyclic alpha-amino acid oligomers.","Organic letters","2009","11","5","1135","1137","10.1021/ol802963a","","","0.7107","MoKα","","0.0612","0.0529","","","0.1276","0.1328","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503800","17.6345","0.001","19.8515","0.0012","19.6951","0.0011","90","","93.955","0.003","90","","6878.3","0.7","293","2","293","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","Cbz-{(1S,3S)-Ac5cOM}8-OMe","","","- C65 H101 N8 O21.5 -","- C65 H101 N8 O21.5 -","- C260 H404 N32 O86 -","4","2","","Nagano, Masanobu; Tanaka, Masakazu; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Helical-screw directions of diastereoisomeric cyclic alpha-amino acid oligomers.","Organic letters","2009","11","5","1135","1137","10.1021/ol802963a","","","0.71073","MoKα","","0.1187","0.0568","","","0.1317","0.1436","","","","","","0.8","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503801","11.742","0.009","19.072","0.015","23.416","0.018","90","","92.844","0.012","90","","5237","7","240","2","240","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","Cbz-{(1R,3S)-Ac5cOM}6-OMe","","","- C51 H76 N6 O15 -","- C51 H76 N6 O15 -","- C204 H304 N24 O60 -","4","2","","Nagano, Masanobu; Tanaka, Masakazu; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Helical-screw directions of diastereoisomeric cyclic alpha-amino acid oligomers.","Organic letters","2009","11","5","1135","1137","10.1021/ol802963a","","","0.71073","MoKα","","0.1146","0.0996","","","0.2711","0.2888","","","","","","1.36","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503802","9.995","0.016","17.515","0.003","20.382","0.003","71.492","0.003","87.501","0.003","89.647","0.004","3380","5","293","2","293","2","","","","","","","synthesis","4","P 1","P 1","1","Cbz-{(1R,3S)-Ac5cOM}8-OMe","","","- C65 H101 N8 O20.5 -","- C65 H101 N8 O20.5 -","- C130 H202 N16 O41 -","2","2","","Nagano, Masanobu; Tanaka, Masakazu; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Helical-screw directions of diastereoisomeric cyclic alpha-amino acid oligomers.","Organic letters","2009","11","5","1135","1137","10.1021/ol802963a","","","0.71075","MoKα","","0.1192","0.08","","","0.199","0.2313","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503803","7.7558","0.0002","11.4466","0.0002","16.8079","0.0003","90","","90","","90","","1492.16","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C76 H56 O16 -","4","1","","Zhou, Zaichun; Cao, Chenzhong; Yin, Zhiqing; Liu, Qiuhua","Bis(zinc porphyrin) bridged by benzo orthocarbonates as a conformational switch under regulation of DABCO and a Cu+ ion.","Organic letters","2009","11","8","1781","1784","10.1021/ol802976h","","","0.71073","MoKα","","0.0352","0.0275","","","0.0594","0.0643","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503804","7.6675","0.0003","9.3748","0.0003","10.1892","0.0004","90","","95.618","0.002","90","","728.89","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O3 -","- C15 H18 N4 O3 -","- C30 H36 N8 O6 -","2","1","","Liu, Gang; Romo, Daniel","Enantioselective synthesis of schulzeines B and C via a beta-lactone-derived surrogate for bishomoserine aldehyde.","Organic letters","2009","11","5","1143","1146","10.1021/ol802992m","","","1.54178","CuKα","","0.0427","0.0422","","","0.101","0.1021","","","","","","1.151","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503805","18.044","0.005","5.7815","0.0015","19.613","0.005","90","","106.439","0.011","90","","1962.4","0.9","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H45 Br3 O8 -","- C39 H45 Br3 O8 -","- C78 H90 Br6 O16 -","2","1","","Liu, Gang; Romo, Daniel","Enantioselective synthesis of schulzeines B and C via a beta-lactone-derived surrogate for bishomoserine aldehyde.","Organic letters","2009","11","5","1143","1146","10.1021/ol802992m","","","1.54178","CuKα","","0.1657","0.075","","","0.1398","0.1677","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503806","9.6622","0.0003","10.4643","0.0003","15.9542","0.0006","90","","90","","90","","1613.1","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","1","","Silvanus, Andrew C.; Heffernan, Stephen J.; Liptrot, David J.; Kociok-Köhn, Gabriele; Andrews, Benjamin I.; Carbery, David R.","Stereoselective double Friedel-Crafts alkylation of indoles with divinyl ketones.","Organic letters","2009","11","5","1175","1178","10.1021/ol900014a","","","0.71073","MoKα","","0.0638","0.0512","","","0.1184","0.1268","","","","","","1.086","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503807","18.7028","0.0014","5.9021","0.0002","20.868","0.0012","90","","106.022","0.003","90","","2214.1","0.2","120.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C104 H112 O16 -","8","1","","Marx, Vanessa M.; Burnell, D. Jean","Synthesis of 5-hydroxycyclopent-2-enones from allenyl vinyl ketones via an interrupted Nazarov cyclization.","Organic letters","2009","11","6","1229","1231","10.1021/ol900029d","","","0.7107","MoKα","","","0.0634","","","","0.0795","","","","","","1.076","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503808","25.479","0.005","5.981","0.0012","30.461","0.006","90","","90","","90","","4641.9","1.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H8 O2 Te -","- C6 H8 O2 Te -","- C144 H192 O48 Te24 -","24","3","","Patra, Asit; Wijsboom, Yair H.; Leitus, Gregory; Bendikov, Michael","Synthesis, structure, and electropolymerization of 3,4-dimethoxytellurophene: comparison with selenium analogue.","Organic letters","2009","11","7","1487","1490","10.1021/ol9000608","","","0.71073","MoKα","","0.0728","0.041","","","0.0952","0.1044","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503809","10.7242","0.0003","21.707","0.0007","6.1704","0.0002","90","","94.349","0.001","90","","1432.27","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 O2 Se -","- C6 H8 O2 Se -","- C48 H64 O16 Se8 -","8","2","","Patra, Asit; Wijsboom, Yair H.; Leitus, Gregory; Bendikov, Michael","Synthesis, structure, and electropolymerization of 3,4-dimethoxytellurophene: comparison with selenium analogue.","Organic letters","2009","11","7","1487","1490","10.1021/ol9000608","","","0.71073","MoKα","","0.0302","0.0216","","","0.049","0.0519","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503810","27.4692","0.0016","5.0982","0.0003","9.8276","0.0006","90","","95.032","0.004","90","","1370.99","0.14","100","2","100","2","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C64 H72 N8 O12 -","4","1","","Cesario, Cara; Miller, Marvin J.","Pd(0)/InI-mediated allylic additions to 4-acetoxy-2-azetidinone: new route to highly functionalized carbocyclic scaffolds.","Organic letters","2009","11","6","1293","1295","10.1021/ol9000685","","x-ray","0.71073","MoKα","","0.0601","0.0407","","","0.098","0.1102","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503811","7.1643","0.0008","10.625","0.0012","9.4329","0.0011","90","","97.123","0.001","90","","712.5","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C32 H46 N2 O6 -","2","1","","He, Juan; Chen, Xuan-Qin; Li, Ming-Ming; Zhao, Yu; Xu, Gang; Cheng, Xiao; Peng, Li-Yan; Xie, Min-Jin; Zheng, Yong-Tang; Wang, Yi-Ping; Zhao, Qin-Shi","Lycojapodine A, a novel alkaloid from Lycopodium japonicum.","Organic letters","2009","11","6","1397","1400","10.1021/ol900079t","","","0.71073","MoKα","","0.043","0.0377","","","0.088","0.0925","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503812","6.8172","0.0007","10.3242","0.001","29.214","0.003","90","","90","","90","","2056.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Cl N2 O4 -","- C22 H19 Cl N2 O4 -","- C88 H76 Cl4 N8 O16 -","4","1","","Xia, Ji-Bao; You, Shu-Li","Synthesis of 3-haloindolizines by copper(II) halide mediated direct functionalization of indolizines.","Organic letters","2009","11","5","1187","1190","10.1021/ol9000872","","","0.71073","MoKα","","0.0615","0.049","","","0.1193","0.1251","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503813","16.798","0.003","16.798","0.003","66.084","0.017","90","","90","","120","","16149","6","292","2","292","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C63 H51 N -","- C63 H51 N -","- C756 H612 N12 -","12","0.666667","","Jiang, Zuoquan; Chen, Yonghua; Yang, Chuluo; Cao, Yue; Tao, Youtian; Qin, Jingui; Ma, Dongge","A fully diarylmethylene-bridged triphenylamine derivative as novel host for highly efficient green phosphorescent OLEDs.","Organic letters","2009","11","7","1503","1506","10.1021/ol9001152","","","0.71073","MoKα","","0.1099","0.0715","","","0.1707","0.1907","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503814","10.2187","0.0011","10.7224","0.0012","12.9364","0.0013","96.919","0.007","104.689","0.007","91.598","0.008","1358.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H48 N8 O8 -","- C68 H48 N8 O8 -","- C68 H48 N8 O8 -","1","0.5","","Van Rossom, Wim; Ovaere, Margriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter","Efficient fragment coupling approaches toward large oxacalix[n]arenes (n = 6, 8).","Organic letters","2009","11","8","1681","1684","10.1021/ol900116h","","","1.54178","CuKα","","0.0672","0.0514","","","0.1273","0.1387","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503815","9.4504","0.0004","10.081","0.0004","17.013","0.0007","90","","91.039","0.002","90","","1620.55","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 N O S -","- C21 H15 N O S -","- C84 H60 N4 O4 S4 -","4","1","","Alajarin, Mateo; Bonillo, Baltasar; Sanchez-Andrada, Pilar; Vidal, Angel; Bautista, Delia","Unexpected formation of 2,1-benzisothiazol-3-ones from oxathiolano ketenimines: a rare tandem process.","Organic letters","2009","11","6","1365","1368","10.1021/ol9001416","","","0.71073","MoKα","","0.0471","0.0383","","","0.0939","0.0966","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503816","33.5318","0.0007","19.5054","0.0004","11.6487","0.0003","90","","95.141","0.001","90","","7588.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46.75 H46.5 N2 O3.25 -","- C46.75 H46.62 N2 O3.25 -","- C374 H372.96 N16 O26 -","8","1","","Dane, Eric L.; Maly, Thorsten; Debelouchina, Galia T.; Griffin, Robert G.; Swager, Timothy M.","Synthesis of a BDPA-TEMPO biradical.","Organic letters","2009","11","9","1871","1874","10.1021/ol9001575","","","1.54178","CuKα","","0.0403","0.0365","","","0.0879","0.0908","","","","","","1.02","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503817","11.2172","0.0004","13.4212","0.0004","19.4882","0.0006","73.849","0.001","80.812","0.001","66.344","0.001","2577.46","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H26 O2.5 -","- C36 H26 O2.5 -","- C144 H104 O10 -","4","2","","Dane, Eric L.; Maly, Thorsten; Debelouchina, Galia T.; Griffin, Robert G.; Swager, Timothy M.","Synthesis of a BDPA-TEMPO biradical.","Organic letters","2009","11","9","1871","1874","10.1021/ol9001575","","","0.71073","MoKα","","0.0659","0.0479","","","0.117","0.1282","","","","","","1.021","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503818","10.7471","0.0014","16.829","0.002","15.162","0.002","90","","99.441","0.002","90","","2705.1","0.6","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 N2 O6 -","- C31 H34 N2 O6 -","- C124 H136 N8 O24 -","4","1","","Uchida, Takuya; Rodriquez, Manuela; Schreiber, Stuart L.","Skeletally diverse small molecules using a build/couple/pair strategy.","Organic letters","2009","11","7","1559","1562","10.1021/ol900173t","","x-ray","0.71073","MoKα","","0.1669","0.0502","","","0.0669","0.0827","","","","","","0.958","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503819","14.0673","0.0002","10.6189","0.0002","20.0375","0.0003","90","","91.632","0.001","90","","2991.97","0.08","193","2","193","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","tu2155R","4-Benzyl 6-ethyl 5-benzyl-7-(4-methoxyphenyl)-8-oxo-4,4a,5,6,7,8,8a,9- octahydrofuro[3,2-g]isoquinoline-4,6-dicarboxylate","","- C36 H35 N O7 -","- C36 H35 N O7 -","- C144 H140 N4 O28 -","4","1","","Uchida, Takuya; Rodriquez, Manuela; Schreiber, Stuart L.","Skeletally diverse small molecules using a build/couple/pair strategy.","Organic letters","2009","11","7","1559","1562","10.1021/ol900173t","","","0.71073","MoKα","","0.0963","0.0459","","","0.0949","0.1175","","","","","","0.997","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503820","9.5546","0.0018","7.0091","0.0012","10.142","0.002","90","","111.6","0.003","90","","631.5","0.2","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","","Jo, Hyunil; Fitzgerald, Mark E.; Winkler, Jeffrey D.","An unusual pathway to cyclobutane formation via desulfurative intramolecular photocycloaddition of an enone benzothiazoline pair.","Organic letters","2009","11","8","1685","1687","10.1021/ol900186y","","","0.71073","MoKα","","0.0358","0.0342","","","0.0812","0.0824","","","","","","1.083","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503821","8.4766","0.001","11.5898","0.0014","14.494","0.0019","90","","95.304","0.003","90","","1417.8","0.3","140","1","140","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","","Jo, Hyunil; Fitzgerald, Mark E.; Winkler, Jeffrey D.","An unusual pathway to cyclobutane formation via desulfurative intramolecular photocycloaddition of an enone benzothiazoline pair.","Organic letters","2009","11","8","1685","1687","10.1021/ol900186y","","","0.71073","MoKα","","0.0463","0.0403","","","0.0926","0.0963","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503822","8.6297","0.0005","10.2315","0.0004","16.3301","0.0009","90","","90","","90","","1441.86","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 S2 -","- C14 H20 O4 S2 -","- C56 H80 O16 S8 -","4","1","","Beye, Garrison E.; Goodman, Jonathan M.; Ward, Dale E.","Synthetic studies on siphonariid polypropionates: synthesis and isomerization of the caloundrin B trioxaadamantane ring system.","Organic letters","2009","11","6","1373","1376","10.1021/ol900192q","","","0.71073","MoKα","","0.0585","0.0446","","","0.0831","0.0921","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503823","11.3198","0.0004","12.4182","0.0007","10.0138","0.0005","90","","103.718","0.003","90","","1367.5","0.12","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1R,3R,5R,7R,8S,9S,10R)-rel-3,5-Diethyl-8,9,10- trimethyl-2,4,6-trioxatricyclo[3.3.1.13,7]decan-1-ol","","- C14 H24 O4 -","- C14 H24 O4 -","- C56 H96 O16 -","4","1","","Beye, Garrison E.; Goodman, Jonathan M.; Ward, Dale E.","Synthetic studies on siphonariid polypropionates: synthesis and isomerization of the caloundrin B trioxaadamantane ring system.","Organic letters","2009","11","6","1373","1376","10.1021/ol900192q","","","0.71073","MoKα","","0.0641","0.0419","","","0.0934","0.105","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503824","7.4372","0.0004","7.6194","0.0003","18.2141","0.0009","90","","92.696","0.002","90","","1031","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Mendelsohn, Brian A.; Lee, Shelley; Kim, Simon; Teyssier, Florian; Aulakh, Virender S.; Ciufolini, Marco A.","Oxidation of oximes to nitrile oxides with hypervalent iodine reagents.","Organic letters","2009","11","7","1539","1542","10.1021/ol900194v","","","0.71073","MoKα","","0.0431","0.0373","","","0.0951","0.0996","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503825","7.566","0.0002","9.7684","0.0003","11.5589","0.0004","88.897","0.002","85.825","0.002","74.451","0.002","820.84","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 Br O3 -","- C17 H21 Br O3 -","- C34 H42 Br2 O6 -","2","1","","Hu, Xu-Hong; Liu, Feng; Loh, Teck-Peng","Stereoelectronic versus steric tuning in the prins cyclization reaction: synthesis of 2,6-trans pyranyl motifs.","Organic letters","2009","11","8","1741","1743","10.1021/ol900196w","","","0.71073","MoKα","","0.0526","0.0339","","","0.0898","0.1079","","","","","","1.087","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503826","46.5271","0.0019","46.5271","0.0019","26.061","0.002","90","","90","","120","","48858","5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C140.64 H73.28 N4 O -","- C140.64 H73.28 N4 O -","- C2531.52 H1319.04 N72 O18 -","18","1","","Clavaguera, Simon; Khan, Saeed I.; Rubin, Yves","Unexpected de-arylation of a pentaaryl fullerene.","Organic letters","2009","11","6","1389","1391","10.1021/ol900224w","","","0.71073","MoKα","","0.1701","0.0717","","","0.1907","0.2154","","","","","","0.832","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503827","7.5881","0.0001","12.1836","0.0001","8.3715","0.0001","90","","111.943","0.001","90","","717.88","0.015","423","2","423","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-dimethyl 2-nitro-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate","","- C13 H12 N2 O8 -","- C13 H12 N2 O8 -","- C26 H24 N4 O16 -","2","1","","Xuan, Yi-Ning; Nie, Shao-Zhen; Dong, Li-Ting; Zhang, Jun-Min; Yan, Ming","Highly enantioselective synthesis of nitrocyclopropanes via organocatalytic conjugate addition of bromomalonate to alpha,beta-unsaturated nitroalkenes.","Organic letters","2009","11","7","1583","1586","10.1021/ol900227j","","","1.54178","CuKα","","0.0241","0.023","","","0.0593","0.0625","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503828","9.4004","0.0007","10.2614","0.0008","13.271","0.001","101.813","0.001","93.644","0.001","94.256","0.001","1245.5","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","04320","","","- C25 H44 O4 Si -","- C25 H44 O4 Si -","- C50 H88 O8 Si2 -","2","1","","Tang, Yu; Cole, Kevin P.; Buchanan, Grant S.; Li, Gang; Hsung, Richard P.","Total synthesis of phomactin A.","Organic letters","2009","11","7","1591","1594","10.1021/ol900237e","","","0.71073","MoKα","","0.0503","0.0401","","","0.1031","0.113","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503829","7.8063","0.0005","12.4919","0.0009","14.4086","0.001","68.686","0.001","79.523","0.001","74.993","0.001","1258.29","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","08003","","","- C26 H46 O4 Si -","- C26 H46 O4 Si -","- C52 H92 O8 Si2 -","2","1","","Tang, Yu; Cole, Kevin P.; Buchanan, Grant S.; Li, Gang; Hsung, Richard P.","Total synthesis of phomactin A.","Organic letters","2009","11","7","1591","1594","10.1021/ol900237e","","","0.71073","MoKα","","0.0716","0.045","","","0.1003","0.1147","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503830","36.187","0.004","16.379","0.0019","8.3869","0.001","90","","98.657","0.002","90","","4914.3","1","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C37 H35 N5 O4 S2 -","- C37 H35 N5 O4 S2 -","- C148 H140 N20 O16 S8 -","4","0.5","","Lee, Hayan; Lee, Shim Sung","Thiaoxaaza-macrocyclic chromoionophores as mercury(II) sensors: synthesis and color modulation.","Organic letters","2009","11","6","1393","1396","10.1021/ol900241p","","","0.71073","MoKα","","0.1499","0.1052","","","0.2482","0.2713","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503831","25.1027","0.0013","10.6633","0.0006","16.1288","0.0009","90","","98.171","0.001","90","","4273.5","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Cl2 Hg N6 O13 S2 -","- C40 H35 Cl2 Hg N6 O13 S2 -","- C160 H140 Cl8 Hg4 N24 O52 S8 -","4","1","","Lee, Hayan; Lee, Shim Sung","Thiaoxaaza-macrocyclic chromoionophores as mercury(II) sensors: synthesis and color modulation.","Organic letters","2009","11","6","1393","1396","10.1021/ol900241p","","","0.71073","MoKα","","0.0639","0.0417","","","0.1001","0.1185","","","","","","1.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503832","8.3523","0.001","47.683","0.006","10.6968","0.001","90","","121.33","0.007","90","","3639","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Hg N7 O10 S2 -","- C37 H35 Hg N7 O10 S2 -","- C148 H140 Hg4 N28 O40 S8 -","4","1","","Lee, Hayan; Lee, Shim Sung","Thiaoxaaza-macrocyclic chromoionophores as mercury(II) sensors: synthesis and color modulation.","Organic letters","2009","11","6","1393","1396","10.1021/ol900241p","","","0.71073","MoKα","","0.1205","0.0726","","","0.1463","0.1733","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503833","10.9346","0.0003","14.4078","0.0003","17.2479","0.0004","91.3635","0.0018","93.6193","0.0018","91.7519","0.0019","2709.71","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H14 N O2 S6 Sc3 -","- C95 H14 N O2 S6 Sc3 -","- C190 H28 N2 O4 S12 Sc6 -","2","1","","Shu, Chunying; Xu, Wei; Slebodnick, Carla; Champion, Hunter; Fu, Wujun; Reid, Jonathan E.; Azurmendi, Hugo; Wang, Chunru; Harich, Kim; Dorn, Harry C.; Gibson, Harry W.","Syntheses and structures of phenyl-C81-butyric acid methyl esters (PCBMs) from M3N@C80.","Organic letters","2009","11","8","1753","1756","10.1021/ol9002527","","x-ray","1.54178","CuKα","","0.0593","0.0567","","","0.1425","0.1447","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503834","14.6647","0.0004","20.7457","0.0006","15.9861","0.0004","90","","90.638","0.003","90","","4863.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C93 H14 N O2 S2 Y3 -","- C93 H14 N O2 S2 Y3 -","- C372 H56 N4 O8 S8 Y12 -","4","1","","Shu, Chunying; Xu, Wei; Slebodnick, Carla; Champion, Hunter; Fu, Wujun; Reid, Jonathan E.; Azurmendi, Hugo; Wang, Chunru; Harich, Kim; Dorn, Harry C.; Gibson, Harry W.","Syntheses and structures of phenyl-C81-butyric acid methyl esters (PCBMs) from M3N@C80.","Organic letters","2009","11","8","1753","1756","10.1021/ol9002527","","x-ray","0.71073","MoKα","","0.127","0.0554","","","0.1088","0.1212","","","","","","0.83","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503835","19.8903","0.0008","16.9211","0.0007","25.5102","0.001","90","","90","","90","","8585.9","0.6","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H45 Cl3 I2 N2 O2 -","- C37 H45 Cl3 I2 N2 O2 -","- C296 H360 Cl24 I16 N16 O16 -","8","1","","Pignataro, Luca; Papalia, Teresa; Slawin, Alexandra M. Z.; Goldup, Stephen M.","Unusual mechanistic course of some NHC-mediated transesterifications.","Organic letters","2009","11","7","1643","1646","10.1021/ol900257t","","","0.71073","MoKα","","0.0732","0.0721","","","0.147","0.1475","","","","","","1.309","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503836","13.4765","0.0001","13.4765","0.0001","10.5602","0.0002","90","","90","","120","","1660.95","0.04","193","2","193","2","","","","","","","chemical synthesis","4","P 31","P 31","144","RJ-001-X","(<i>R</i>)-2,2-Dibenzylcyclopentyl 3,5-dibromobenzoate","","- C26 H24 Br2 O2 -","- C26 H24 Br2 O2 -","- C78 H72 Br6 O6 -","3","1","","Chein, Rong-Jie; Yeung, Ying-Yeung; Corey, E. J.","Highly enantioselective oxazaborolidine-catalyzed reduction of 1,3-dicarbonyl compounds: role of the additive diethylaniline.","Organic letters","2009","11","7","1611","1614","10.1021/ol900258f","","","0.71073","MoKα","","0.0481","0.031","","","0.0635","0.0689","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503837","10.8803","0.0002","8.7798","0.0002","29.8879","0.0008","90","","97.593","0.002","90","","2830.06","0.11","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 N O4 -","- C34 H27 N O4 -","- C136 H108 N4 O16 -","4","1","","Chen, Jhih-Rong; Yang, Ding-Yah","Design and synthesis of an o-hydroxyphenyl-containing spiropyran thermochromic colorant.","Organic letters","2009","11","8","1769","1772","10.1021/ol900288j","","x-ray","1.54184","CuKα","","0.0455","0.0369","","","0.1058","0.1112","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503838","7.1551","0.0005","27.3837","0.0018","12.5546","0.0008","90","","103.864","0.001","90","","2388.2","0.3","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H24.9 O4.45 -","- C32 H24.9 O4.45 -","- C128 H99.6 O17.8 -","4","1","","Chen, Jhih-Rong; Yang, Ding-Yah","Design and synthesis of an o-hydroxyphenyl-containing spiropyran thermochromic colorant.","Organic letters","2009","11","8","1769","1772","10.1021/ol900288j","","x-ray","0.71073","MoKα","","0.0796","0.0626","","","0.2075","0.2252","","","","","","1.348","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1503839","5.5253","0.0003","8.5106","0.0004","30.7793","0.001","90","","90","","90","","1447.35","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Br N O3 -","- C14 H16 Br N O3 -","- C56 H64 Br4 N4 O12 -","4","1","","Tan, Bin; Zeng, Xiaofei; Lu, Yunpeng; Chua, Pei Juan; Zhong, Guofu","Rational design of organocatalyst: highly stereoselective Michael addition of cyclic ketones to nitroolefins.","Organic letters","2009","11","9","1927","1930","10.1021/ol900330p","","","0.71073","MoKα","","0.0539","0.036","","","0.0828","0.1008","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503840","10.0965","0.0003","13.5161","0.0005","15.1758","0.0005","90","","90","","90","","2070.97","0.12","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 I N O -","- C24 H26 I N O -","- C96 H104 I4 N4 O4 -","4","1","","Pira, Silvain L.; Wallace, Timothy W.; Graham, Jonathan P.","Enantioselective route to 5-methyl- and 5,7-dimethyl-6,7-dihydro-5H-dibenz[c,e]azepine: secondary amines with switchable axial chirality.","Organic letters","2009","11","7","1663","1666","10.1021/ol900333c","","x-ray","0.71073","MoKα","","0.1163","0.0756","","","0.1616","0.184","","","","","","1.153","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503841","8.7885","0.0007","5.201","0.0005","23.5047","0.0019","90","","98.753","0.005","90","","1061.86","0.16","228","2","228","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H18 Br Cl N2 O4 -","- C23 H18 Br Cl N2 O4 -","- C46 H36 Br2 Cl2 N4 O8 -","2","1","","Zu, Liansuo; Zhang, Shilei; Xie, Hexin; Wang, Wei","Catalytic asymmetric oxa-Michael-Michael cascade for facile construction of chiral chromans via an aminal intermediate.","Organic letters","2009","11","7","1627","1630","10.1021/ol9003433","","","0.71073","MoKα","","0.0932","0.042","","","0.0871","0.1022","","","","","","0.993","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503842","8.1083","0.0005","10.844","0.0006","27.2736","0.0016","90","","90","","90","","2398.1","0.2","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N2 O4 S -","- C24 H40 N2 O4 S -","- C96 H160 N8 O16 S4 -","4","1","","Paderes, Monissa C.; Chemler, Sherry R.","Diastereoselective pyrrolidine synthesis via copper promoted intramolecular aminooxygenation of alkenes: formal synthesis of (+)-monomorine.","Organic letters","2009","11","9","1915","1918","10.1021/ol9003492","","","0.71073","MoKα","","0.0305","0.0255","","","0.0618","0.0649","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503843","36.619","0.006","7.7648","0.0012","20.354","0.003","90","","101.835","0.003","90","","5664.4","1.5","90","2","90","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H39 F3 N2 O3 S -","- C29 H39 F3 N2 O3 S -","- C232 H312 F24 N16 O24 S8 -","8","1","","Paderes, Monissa C.; Chemler, Sherry R.","Diastereoselective pyrrolidine synthesis via copper promoted intramolecular aminooxygenation of alkenes: formal synthesis of (+)-monomorine.","Organic letters","2009","11","9","1915","1918","10.1021/ol9003492","","x-ray","0.71073","MoKα","","0.08","0.0576","","","0.1422","0.1609","","","","","","1.053","","","","has coordinates,has disorder","301775","2025-08-18","14:01:20",""
"1503844","6.926","0.003","26.359","0.009","12.135","0.005","90","","99.155","0.005","90","","2187.2","1.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","spirofluorene","ethyl 4-acetyl-2',7'-dibromo-3,5-dimethylenespiro[cyclohexane-1,9'-fluorene]- 4-carboxylate","","- C25 H22 Br2 O3 -","- C25 H22 Br2 O3 -","- C100 H88 Br8 O12 -","4","1","","Tsuji, Hayato; Tanaka, Iku; Endo, Kohei; Yamagata, Ken-Ichi; Nakamura, Masaharu; Nakamura, Eiichi","Indium-catalyzed [1 + n] annulation reaction between beta-ketoester and alpha,omega-diyne.","Organic letters","2009","11","8","1845","1847","10.1021/ol9003542","","","0.7107","MoKα","","0.0249","0.0246","","","0.0564","0.0565","","","","","","1.12","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503845","11.406","0.002","10.314","0.002","12.029","0.002","90","","96.94","0.03","90","","1404.7","0.4","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Yip, Kai-Tai; Zhu, Nian-Yong; Yang, Dan","Palladium-catalyzed highly diastereoselective oxidative cascade cyclization reactions.","Organic letters","2009","11","9","1911","1914","10.1021/ol900355h","","","0.71073","MoKα","","0.0481","0.0375","","","0.1059","0.1118","","","","","","1.094","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503846","10.455","0.002","11.538","0.002","29.956","0.006","90","","90","","90","","3613.6","1.2","301","2","301","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 N O -","- C23 H23 N O -","- C184 H184 N8 O8 -","8","1","","Yip, Kai-Tai; Zhu, Nian-Yong; Yang, Dan","Palladium-catalyzed highly diastereoselective oxidative cascade cyclization reactions.","Organic letters","2009","11","9","1911","1914","10.1021/ol900355h","","","0.71073","MoKα","","0.0596","0.0368","","","0.0914","0.0989","","","","","","0.881","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503847","11.865","0.002","11.865","0.002","19.328","0.004","90","","90","","90","","2721","0.9","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C13 H13 F6 N O -","- C13 H13 F6 N O -","- C104 H104 F48 N8 O8 -","8","1","","Ueki, Hisanori; Soloshonok, Vadim A.","New sterically driven mode for generation of helical chirality.","Organic letters","2009","11","8","1797","1800","10.1021/ol900357d","","","0.71073","MoKα","","0.0297","0.0282","","","0.0727","0.074","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503848","4.8696","0.0016","10.082","0.003","10.611","0.003","82.277","0.005","84.935","0.005","78.256","0.005","504.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N O -","- C11 H15 N O -","- C22 H30 N2 O2 -","2","1","","Ueki, Hisanori; Soloshonok, Vadim A.","New sterically driven mode for generation of helical chirality.","Organic letters","2009","11","8","1797","1800","10.1021/ol900357d","","","0.71073","MoKα","","0.0529","0.0449","","","0.1232","0.129","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503849","11.298","0.002","11.298","0.002","19.444","0.002","90","","90","","90","","2481.9","0.7","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C13 H19 N O -","- C13 H19 N O -","- C104 H152 N8 O8 -","8","1","","Ueki, Hisanori; Soloshonok, Vadim A.","New sterically driven mode for generation of helical chirality.","Organic letters","2009","11","8","1797","1800","10.1021/ol900357d","","","0.71073","MoKα","","0.0321","0.0314","","","0.1052","0.1068","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503850","11.599","0.002","11.489","0.002","17.193","0.003","90","","90","","90","","2291.2","0.7","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H17 N O -","- C12 H17 N O -","- C96 H136 N8 O8 -","8","2","","Ueki, Hisanori; Soloshonok, Vadim A.","New sterically driven mode for generation of helical chirality.","Organic letters","2009","11","8","1797","1800","10.1021/ol900357d","","","0.71073","MoKα","","0.0304","0.0292","","","0.0773","0.0794","","","","","","0.999","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503851","9.234","0.0003","9.606","0.0003","17.638","0.0006","90","","90","","90","","1564.52","0.09","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O6 -","- C16 H22 O6 -","- C64 H88 O24 -","4","1","","Jones, Regan A.; Krische, Michael J.","Asymmetric total synthesis of the iridoid beta-glucoside (+)-geniposide via phosphine organocatalysis.","Organic letters","2009","11","8","1849","1851","10.1021/ol900360h","","","0.71073","MoKα","","0.0575","0.0415","","","0.0885","0.0957","","","","","","1.072","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503852","4.266","0.0005","14.4142","0.0016","20.684","0.002","90","","90","","90","","1271.9","0.2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 Cl2 N O4 -","- C13 H7 Cl2 N O4 -","- C52 H28 Cl8 N4 O16 -","4","1","","Jones, Regan A.; Krische, Michael J.","Asymmetric total synthesis of the iridoid beta-glucoside (+)-geniposide via phosphine organocatalysis.","Organic letters","2009","11","8","1849","1851","10.1021/ol900360h","","","0.7107","MoKα","","0.161","0.0702","","","0.0895","0.1108","","","","","","1.134","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503853","19.1733","0.0003","15.3845","0.0003","19.6245","0.0003","90","","109.475","0.001","90","","5457.48","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 Cl6 O4 Sb -","- C23 H28 Cl6 O4 Sb -","- C184 H224 Cl48 O32 Sb8 -","8","2","","Chebny, Vincent J.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra","Molecular actuator: redox-controlled clam-like motion in a bichromophoric electron donor.","Organic letters","2009","11","9","1939","1942","10.1021/ol900371m","","","1.54178","CuKα","","0.0296","0.0244","","","0.0602","0.0622","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503854","10.8438","0.0002","6.8928","0.0001","26.8595","0.0005","90","","97.201","0.001","90","","1991.76","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 O4 -","- C23 H28 O4 -","- C92 H112 O16 -","4","1","","Chebny, Vincent J.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra","Molecular actuator: redox-controlled clam-like motion in a bichromophoric electron donor.","Organic letters","2009","11","9","1939","1942","10.1021/ol900371m","","","1.54178","CuKα","","0.0333","0.0322","","","0.0823","0.0831","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503855","12.3843","0.0009","25.9281","0.0019","6.9484","0.0005","90","","90","","90","","2231.1","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H29 N O5 -","- C25 H29 N O5 -","- C100 H116 N4 O20 -","4","1","","Chebny, Vincent J.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra","Molecular actuator: redox-controlled clam-like motion in a bichromophoric electron donor.","Organic letters","2009","11","9","1939","1942","10.1021/ol900371m","","","0.71073","MoKα","","0.0506","0.0414","","","0.0987","0.1032","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503856","9.8164","0.0016","26.656","0.004","18.42","0.003","90","","90","0.002","90","","4819.9","1.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 O6 -","- C28 H36 O6 -","- C224 H288 O48 -","8","2","","Chebny, Vincent J.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra","Molecular actuator: redox-controlled clam-like motion in a bichromophoric electron donor.","Organic letters","2009","11","9","1939","1942","10.1021/ol900371m","","","0.71073","MoKα","","0.0898","0.0558","","","0.1388","0.1528","","","","","","0.995","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503857","9.15783","0.00017","17.0989","0.0003","17.1807","0.0003","90","","90","","90","","2690.31","0.08","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(2,2-Dimethylpropyl)-3-bromo-4-(2-methoxynaphthalen-1-yl)- 5,6,7,8-tetrahydro-1H-quinolin-2-one","","- C31 H34 Br N O2 -","- C31 H34 Br N O2 -","- C124 H136 Br4 N4 O8 -","4","1","","Imase, Hidetomo; Suda, Takeshi; Shibata, Yu; Noguchi, Keiichi; Hirano, Masao; Tanaka, Ken","Highly enantioselective construction of axial chirality by palladium-catalyzed cycloisomerization of N-alkenyl arylethynylamides.","Organic letters","2009","11","8","1805","1808","10.1021/ol900373z","","","1.54187","CuKα","","0.0392","0.0338","","","0.0801","0.0855","","","","","","1.198","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503858","5.613","0.003","9.682","0.005","21.629","0.01","90","","92.403","0.008","90","","1174.4","1","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C56 H44 N12 O4 -","4","1","","Sasada, Toshiaki; Kobayashi, Fuminori; Sakai, Norio; Konakahara, Takeo","An unprecedented approach to 4,5-disubstituted pyrimidine derivatives by a ZnCl(2)-catalyzed three-component coupling reaction.","Organic letters","2009","11","10","2161","2164","10.1021/ol900382j","","","0.71073","MoKα","","0.1219","0.1099","","","0.2184","0.224","","","","","","1.311","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503859","12.38","0.004","7.301","0.003","15.108","0.005","90","","98.533","0.007","90","","1350.4","0.8","299","","299","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","","Sasada, Toshiaki; Kobayashi, Fuminori; Sakai, Norio; Konakahara, Takeo","An unprecedented approach to 4,5-disubstituted pyrimidine derivatives by a ZnCl(2)-catalyzed three-component coupling reaction.","Organic letters","2009","11","10","2161","2164","10.1021/ol900382j","","","0.71073","MoKα","","0.1049","0.0633","","","0.181","0.2239","","","","","","0.74","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503860","9.0917","0.0008","9.3121","0.0007","14.1154","0.0012","84.228","0.002","84.713","0.003","82.675","0.003","1175.47","0.17","93.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H16 F4 O2 -","- C34 H16 F4 O2 -","- C68 H32 F8 O4 -","2","1","","Nishida, Jun-Ichi; Fujiwara, Yujiro; Yamashita, Yoshiro","Synthesis, crystal structure, and physical properties of 7,14-disubstituted pentacene-5,12-diones containing a methylenequinoid structure.","Organic letters","2009","11","8","1813","1816","10.1021/ol9003838","","","0.71075","MoKα","","","0.0469","","","","0.1322","","","","","","1.06","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503861","14.2666","0.0007","11.6671","0.0006","23.426","0.0014","90","","105.495","0.0018","90","","3757.5","0.4","93.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 O2 Si2 -","- C44 H52 O2 Si2 -","- C176 H208 O8 Si8 -","4","1","","Nishida, Jun-Ichi; Fujiwara, Yujiro; Yamashita, Yoshiro","Synthesis, crystal structure, and physical properties of 7,14-disubstituted pentacene-5,12-diones containing a methylenequinoid structure.","Organic letters","2009","11","8","1813","1816","10.1021/ol9003838","","","0.71075","MoKα","","","0.0587","","","","0.1629","","","","","","0.988","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503862","14.8","0.006","14.463","0.006","16.996","0.007","90","","90.6671","0.0018","90","","3638","3","103","2","103","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C52 H38 -","- C52 H38 -","- C208 H152 -","4","1","","Kitazawa, Kentaroh; Kochi, Takuya; Sato, Mitsuo; Kakiuchi, Fumitoshi","Convenient synthesis of tetra- and hexaarylanthracenes by means of RuH2(CO)(PPh3)3-catalyzed C-H arylation of anthraquinone with arylboronates.","Organic letters","2009","11","9","1951","1954","10.1021/ol900393x","","","0.7107","MoKα","","0.0514","0.0481","","","0.1193","0.1226","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503863","8.7153","0.0007","9.8625","0.0009","24.055","0.002","90","","90","","90","","2067.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N2 O5 -","- C23 H24 N2 O5 -","- C92 H96 N8 O20 -","4","1","","Medimagh, Raouf; Marque, Sylvain; Prim, Damien; Marrot, Jérôme; Chatti, Saber","Concise synthesis of tricyclic isoindolinones via one-pot cascade multicomponent sequences.","Organic letters","2009","11","8","1817","1820","10.1021/ol9003965","","","0.71073","MoKα","","0.0702","0.0399","","","0.106","0.1295","","","","","","1.072","","","","has coordinates,has disorder","301775","2025-08-18","14:01:20",""
"1503864","13.216","0.0012","6.0877","0.0003","16.8483","0.0016","90","","103.51","0.003","90","","1318.02","0.19","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H36 N2 O5 -","- C29 H36 N2 O5 -","- C58 H72 N4 O10 -","2","1","","Ghosh, Arun K.; Xu, Chun-Xiao","A convergent synthesis of the proposed structure of antitumor depsipeptide stereocalpin A.","Organic letters","2009","11","9","1963","1966","10.1021/ol900412u","","","0.71073","MO-Kα","","0.06","0.041","","","0.076","0.083","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503865","9.4588","0.0014","9.6985","0.0014","11.9322","0.0017","74.013","0.002","88.98","0.003","70.029","0.002","985.5","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H10 O2 -","- C12 H10 O2 -","- C48 H40 O8 -","4","2","","Deng, Youqian; Jin, Xin; Fu, Chunling; Ma, Shengming","Efficient highly selective synthesis of methyl 2-(ethynyl)alk-2(E)-enoates and 2-(1'-chlorovinyl)alk-2(Z)-enoates from 2-(methoxycarbonyl)-2,3-allenols.","Organic letters","2009","11","10","2169","2172","10.1021/ol9004273","","","0.71073","MoKα","","0.0829","0.0731","","","0.1959","0.2063","","","","","","0.996","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503866","7.9734","0.0005","16.9107","0.001","9.8279","0.0006","90","","99.353","0.002","90","","1307.54","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl O2 -","- C14 H13 Cl O2 -","- C56 H52 Cl4 O8 -","4","1","","Deng, Youqian; Jin, Xin; Fu, Chunling; Ma, Shengming","Efficient highly selective synthesis of methyl 2-(ethynyl)alk-2(E)-enoates and 2-(1'-chlorovinyl)alk-2(Z)-enoates from 2-(methoxycarbonyl)-2,3-allenols.","Organic letters","2009","11","10","2169","2172","10.1021/ol9004273","","","0.71073","MoKα","","0.0477","0.0425","","","0.1163","0.124","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503867","11.524","0.015","13.1","0.013","13.534","0.011","90","","90","","90","","2043","4","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br O3 -","- C24 H23 Br O3 -","- C96 H92 Br4 O12 -","4","1","","Tomizawa, Masaki; Shibuya, Masatoshi; Iwabuchi, Yoshiharu","Highly enantioselective organocatalytic oxidative kinetic resolution of secondary alcohols using chirally modified AZADOs.","Organic letters","2009","11","8","1829","1831","10.1021/ol900441f","","","0.71075","MoKα","","0.0507","0.0363","","","0.0871","0.0957","","","","","","0.951","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503868","12.8","0.003","16.1","0.003","11.14","0.002","90","","113.93","0.03","90","","2098.4","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O6 -","- C23 H25 N O6 -","- C92 H100 N4 O24 -","4","1","","Wang, Guan-Wu; Gao, Jie","Selective formation of spiro dihydrofurans and cyclopropanes through unexpected reaction of aldehydes with 1,3-dicarbonyl compounds.","Organic letters","2009","11","11","2385","2388","10.1021/ol900451d","","","0.71073","MoKα","","0.1269","0.0736","","","0.1612","0.2229","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503869","10.2632","0.0012","17.437","0.002","11.4706","0.0013","90","","110.341","0.003","90","","1924.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H13 N O6 -","- C25 H13 N O6 -","- C100 H52 N4 O24 -","4","1","","Wang, Guan-Wu; Gao, Jie","Selective formation of spiro dihydrofurans and cyclopropanes through unexpected reaction of aldehydes with 1,3-dicarbonyl compounds.","Organic letters","2009","11","11","2385","2388","10.1021/ol900451d","","","0.71073","MoKα","","0.1243","0.0544","","","0.0875","0.1069","","","","","","0.813","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503870","5.2823","0.0002","15.4651","0.0006","13.0625","0.0005","90","","100.723","0.0004","90","","1048.46","0.07","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H35 N O2 -","- C23 H35 N O2 -","- C46 H70 N2 O4 -","2","1","","Buchner, Kay M.; Clark, Timothy B.; Loy, Janice M. N.; Nguyen, Thong X.; Woerpel, K. A.","Alkylidenesilacyclopropanes derived from allenes: applications to the selective synthesis of triols and homoallylic alcohols.","Organic letters","2009","11","10","2173","2175","10.1021/ol900456v","","","0.71073","MoKα","","0.0319","0.0303","","","0.0786","0.0798","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503871","11.2644","0.0012","18.238","0.002","12.7049","0.0014","90","","111.178","0.002","90","","2433.8","0.5","158","2","158","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H40 O Si2 -","- C23 H40 O Si2 -","- C92 H160 O4 Si8 -","4","1","","Buchner, Kay M.; Clark, Timothy B.; Loy, Janice M. N.; Nguyen, Thong X.; Woerpel, K. A.","Alkylidenesilacyclopropanes derived from allenes: applications to the selective synthesis of triols and homoallylic alcohols.","Organic letters","2009","11","10","2173","2175","10.1021/ol900456v","","","0.71073","MoKα","","0.0563","0.0417","","","0.1013","0.1124","","","","","","1.07","","","","has coordinates,has disorder","301775","2025-08-18","14:01:20",""
"1503872","6.708","0.002","9.888","0.003","11.794","0.004","90","","102.551","0.015","90","","763.6","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O -","- C17 H16 Br N O -","- C34 H32 Br2 N2 O2 -","2","1","","Hong, Liang; Liu, Chunxia; Sun, Wangsheng; Wang, Lei; Wong, Kwokyin; Wang, Rui","Organocatalytic enantioselective Friedel-Crafts alkylation of 4,7-dihydroindoles with alpha,beta-unsaturated aldehydes: an easy access to 2-substituted indoles.","Organic letters","2009","11","10","2177","2180","10.1021/ol900461v","","","0.71073","MoKα","","0.0741","0.0393","","","0.0835","0.0946","","","","","","0.976","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503873","7.382","0.0013","12.748","0.002","15.264","0.003","90","","90","","90","","1436.4","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 I N2 O3 -","- C11 H19 I N2 O3 -","- C44 H76 I4 N8 O12 -","4","1","","Estarellas, Carolina; Rotger, M. Carmen; Capó, Magdalena; Quiñonero, David; Frontera, Antonio; Costa, Antoni; Deyà, Pere M.","Anion-π interactions in four-membered rings","Organic Letters","2009","11","9","1987","1990","10.1021/ol900470r","","","0.71073","MoKα","","0.0255","0.0232","","","0.0487","0.0497","","","","","","0.957","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503874","13.3425","0.0011","25.354","0.002","13.6808","0.0011","90","","116.203","0.002","90","","4152.4","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Cl N4 O2.333 -","- C10 H19 Cl N4 O2.33333 -","- C120 H228 Cl12 N48 O28 -","12","3","","Estarellas, Carolina; Rotger, M. Carmen; Capó, Magdalena; Quiñonero, David; Frontera, Antonio; Costa, Antoni; Deyà, Pere M.","Anion-π interactions in four-membered rings","Organic Letters","2009","11","9","1987","1990","10.1021/ol900470r","","","0.71073","MoKα","","0.1707","0.0702","","","0.1755","0.222","","","","","","1.005","","","","has coordinates","218667","2020-10-21","18:00:00",""
"1503875","8.0163","0.0007","9.4598","0.0008","25.816","0.002","90","","93.688","0.002","90","","1953.6","0.3","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C92 H88 N8 O12 -","4","1","","Sirasani, Gopal; Andrade, Rodrigo B.","Sequential one-pot cyclizations: concise access to the ABCE tetracyclic framework of strychnos alkaloids.","Organic letters","2009","11","10","2085","2088","10.1021/ol9004799","","","0.71073","MoKα","","0.0468","0.041","","","0.1018","0.1075","","","","","","1.004","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503876","10.0669","0.0014","25.664","0.004","10.9208","0.0013","90","","111.079","0.006","90","","2632.7","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 B2 O4 P2 -","- C24 H40 B2 O4 P2 -","- C96 H160 B8 O16 P8 -","4","2","","Morisaki, Yasuhiro; Imoto, Hiroaki; Tsurui, Kazuhiko; Chujo, Yoshiki","Practical synthesis of P-stereogenic diphosphacrowns.","Organic letters","2009","11","11","2241","2244","10.1021/ol900504e","","","0.71075","MoKα","","0.0899","0.0519","","","0.1094","0.1276","","","","","","0.67","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503877","9.0429","0.0009","14.936","0.002","19.4631","0.0018","90","","90","","90","","2628.8","0.5","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 Cl2 O4 P2 Pt -","- C24 H34 Cl2 O4 P2 Pt -","- C96 H136 Cl8 O16 P8 Pt4 -","4","1","","Morisaki, Yasuhiro; Imoto, Hiroaki; Tsurui, Kazuhiko; Chujo, Yoshiki","Practical synthesis of P-stereogenic diphosphacrowns.","Organic letters","2009","11","11","2241","2244","10.1021/ol900504e","","","0.71075","MoKα","","0.0219","0.0198","","","0.0581","0.06","","","","","","0.509","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503878","9.2921","0.0016","14.879","0.002","18.8246","0.0018","90","","90","","90","","2602.6","0.6","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 Cl2 O4 P2 Pd -","- C24 H34 Cl2 O4 P2 Pd -","- C96 H136 Cl8 O16 P8 Pd4 -","4","1","","Morisaki, Yasuhiro; Imoto, Hiroaki; Tsurui, Kazuhiko; Chujo, Yoshiki","Practical synthesis of P-stereogenic diphosphacrowns.","Organic letters","2009","11","11","2241","2244","10.1021/ol900504e","","","0.71075","MoKα","","0.0308","0.0278","","","0.0826","0.0905","","","","","","0.748","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503879","19.68","0.002","6.923","0.003","15.753","0.002","90","","125.7","0.02","90","","1742.9","0.9","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H27 N O2 S2 -","- C15 H27 N O2 S2 -","- C60 H108 N4 O8 S8 -","4","1","","Checa, Begoña; Gálvez, Erik; Parelló, Ricard; Sau, Miriam; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè; Solans, Xavier","New approach to the stereoselective synthesis of tertiary methyl ethers.","Organic letters","2009","11","10","2193","2196","10.1021/ol9005135","","","0.71069","MoKα","","0.0476","0.0333","","","0.0761","0.0792","","","","","","0.906","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503880","18.1731","0.0011","10.7733","0.0006","17.5878","0.001","90","","93.105","0.001","90","","3438.4","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","PdCl2(t-Bu-MiniPHOS)2","","","- C22 H52 Br2 P4 Pd2 -","- C22 H52 Br2 P4 Pd2 -","- C88 H208 Br8 P16 Pd8 -","4","1","","Ogura, Tomokazu; Yoshida, Kazuhiro; Yanagisawa, Akira; Imamoto, Tsuneo","Optically active dinuclear palladium complexes containing a Pd-Pd bond: preparation and enantioinduction ability in asymmetric ring-opening reactions.","Organic letters","2009","11","11","2245","2248","10.1021/ol900533h","","","0.71073","MoKα","","0.049","0.047","","","0.1557","0.1569","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503881","8.4746","0.0008","11.9094","0.0011","16.0377","0.0014","77.485","0.003","78.778","0.003","77.063","0.003","1521.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 Cl2 N5 O10 -","- C28 H27 Cl2 N5 O10 -","- C56 H54 Cl4 N10 O20 -","2","1","","Lee, Min Hee; Lee, Soon W.; Kim, Sang Hoon; Kang, Chulhun; Kim, Jong Seung","Nanomolar Hg(II) detection using Nile blue chemodosimeter in biological media.","Organic letters","2009","11","10","2101","2104","10.1021/ol900542y","","","0.71073","MoKα","","0.1684","0.0685","","","0.1706","0.1994","","","","","","0.784","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503882","12.215","0.002","8.434","0.002","34.429","0.006","90","","90","","90","","3546.9","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-benzyl 2-(1-(4-oxo-3-propyl-2-thioxothiazolidin-5-ylidene)- ethyl)hydrazinecarboxylate","","- C16 H19 N3 O3 S2 -","- C16 H19 N3 O3 S2 -","- C128 H152 N24 O24 S16 -","8","1","","Attanasi, Orazio A.; Crescentini, Lucia De; Favi, Gianfranco; Filippone, Paolino; Giorgi, Gianluca; Mantellini, Fabio; Moscatelli, Giada; Behalo, Mohamed S.","An efficient one-pot, three-component synthesis of 5-hydrazinoalkylidene rhodanines from 1,2-diaza-1,3-dienes.","Organic letters","2009","11","11","2265","2268","10.1021/ol900545v","","","0.71073","MoKα","","0.1094","0.0516","","","0.1068","0.1313","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503883","7.036","0.006","12.707","0.01","10.176","0.008","90","","93.001","0.01","90","","908.6","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[(1-M-4-Am-1,2,4-Triaz)]2B12H12","","","- C6 H26 B12 N8 -","- C6 H26 B12 N8 -","- C12 H52 B24 N16 -","2","0.5","","Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Hudgens, Leslie M.; Ammon, Herman L.; Strauss, Steven H.","Pairing heterocyclic cations with closo-icosahedral borane and carborane anions. i. benchtop aqueous synthesis of binary triazolium and imidazolium salts with limited water solubility.","Organic letters","2009","11","12","2623","2626","10.1021/ol900550v","","","0.71073","MoKα","","0.0831","0.0657","","","0.1723","0.1921","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503884","11.59","0.005","8.959","0.004","12.229","0.005","90","","102.668","0.009","90","","1238.9","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(1-Am-3-M-1,2,3-Triaz)]2B12H12.(CH3CN)2","","","- C10 H32 B12 N10 -","- C10 H32 B12 N10 -","- C20 H64 B24 N20 -","2","0.5","","Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Hudgens, Leslie M.; Ammon, Herman L.; Strauss, Steven H.","Pairing heterocyclic cations with closo-icosahedral borane and carborane anions. i. benchtop aqueous synthesis of binary triazolium and imidazolium salts with limited water solubility.","Organic letters","2009","11","12","2623","2626","10.1021/ol900550v","","","0.71073","MoKα","","0.1202","0.0628","","","0.1692","0.1993","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503885","7.395","0.0005","16.8827","0.0012","7.358","0.0007","90","","97.048","0.005","90","","911.69","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(1-Am-3-H-1,2,3-Triaz)]2B12H12.(H2O)2","","","- C4 H26 B12 N8 O2 -","- C4 H26 B12 N8 O2 -","- C8 H52 B24 N16 O4 -","2","0.5","","Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Hudgens, Leslie M.; Ammon, Herman L.; Strauss, Steven H.","Pairing heterocyclic cations with closo-icosahedral borane and carborane anions. i. benchtop aqueous synthesis of binary triazolium and imidazolium salts with limited water solubility.","Organic letters","2009","11","12","2623","2626","10.1021/ol900550v","","","1.54178","CuKα","","0.0511","0.0508","","","0.1226","0.123","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503886","7.535","0.004","15.011","0.007","8.168","0.004","90","","90.329","0.007","90","","923.8","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(1-M-3-H-Im)]2B12H12","","","- C8 H26 B12 N4 -","- C8 H26 B12 N4 -","- C16 H52 B24 N8 -","2","0.5","","Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Hudgens, Leslie M.; Ammon, Herman L.; Strauss, Steven H.","Pairing heterocyclic cations with closo-icosahedral borane and carborane anions. i. benchtop aqueous synthesis of binary triazolium and imidazolium salts with limited water solubility.","Organic letters","2009","11","12","2623","2626","10.1021/ol900550v","","","0.71073","MoKα","","0.1183","0.0785","","","0.1555","0.1725","","","","","","1.195","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503887","8.2681","0.0017","8.6731","0.0016","8.8457","0.0016","69.757","0.002","84.526","0.002","67.521","0.001","549.43","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","[(1-E-3-M-Im)]2B12H12","","","- C12 H34 B12 N4 -","- C12 H34 B12 N4 -","- C12 H34 B12 N4 -","1","0.5","","Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Hudgens, Leslie M.; Ammon, Herman L.; Strauss, Steven H.","Pairing heterocyclic cations with closo-icosahedral borane and carborane anions. i. benchtop aqueous synthesis of binary triazolium and imidazolium salts with limited water solubility.","Organic letters","2009","11","12","2623","2626","10.1021/ol900550v","","","0.71073","MoKα","","0.0544","0.0495","","","0.1451","0.1501","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503888","8.2514","0.001","11.4775","0.001","13.7766","0.001","73.867","0.008","79.099","0.007","89.638","0.008","1229.2","0.2","295","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 B F2 N2 -","- C27 H35 B F2 N2 -","- C54 H70 B2 F4 N4 -","2","1","","Ozdemir, Tugba; Atilgan, Serdar; Kutuk, Ilker; Yildirim, Leyla T.; Tulek, Abdullah; Bayindir, Mehmet; Akkaya, Engin U.","Solid-state emissive BODIPY dyes with bulky substituents as spacers.","Organic letters","2009","11","10","2105","2107","10.1021/ol9005568","","x-ray","0.71073","MoKα","","","0.0615","","","","0.1922","","","","","","0.951","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503889","6.7325","0.001","12.196","0.002","15.301","0.002","90","","101.739","0.01","90","","1230.1","0.3","293","2","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C27 H35 B F2 N2 -","- C27 H35 B F2 N2 -","- C54 H70 B2 F4 N4 -","2","0.5","","Ozdemir, Tugba; Atilgan, Serdar; Kutuk, Ilker; Yildirim, Leyla T.; Tulek, Abdullah; Bayindir, Mehmet; Akkaya, Engin U.","Solid-state emissive BODIPY dyes with bulky substituents as spacers.","Organic letters","2009","11","10","2105","2107","10.1021/ol9005568","","x-ray","0.71073","MoKα","","","0.0738","","","","0.2193","","","","","","0.883","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503890","15.8842","0.0003","8.8279","0.0002","18.5716","0.0004","90","","95.747","0.001","90","","2591.1","0.09","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H32 Cl2 O6 -","- C29 H32 Cl2 O6 -","- C116 H128 Cl8 O24 -","4","2","","Chebny, Vincent J.; Navale, Tushar S.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra","X-ray structural characterization of charge delocalization onto the three equivalent benzenoid rings in hexamethoxytriptycene cation radical.","Organic letters","2009","11","11","2253","2256","10.1021/ol900558s","","","1.54178","CuKα","","0.0497","0.0485","","","0.1349","0.1361","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503891","12.5195","0.0002","12.9701","0.0002","26.6144","0.0004","103.874","0.001","93.92","0.001","90.647","0.001","4184.02","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40.25 H44 Cl6 O6 Sb -","- C40.25 H44 Cl6 O6 Sb -","- C161 H176 Cl24 O24 Sb4 -","4","2","","Chebny, Vincent J.; Navale, Tushar S.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra","X-ray structural characterization of charge delocalization onto the three equivalent benzenoid rings in hexamethoxytriptycene cation radical.","Organic letters","2009","11","11","2253","2256","10.1021/ol900558s","","","1.54178","CuKα","","0.059","0.0423","","","0.0925","0.0974","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503892","7.285","0.004","9.374","0.005","11.1","0.006","108.94","0.04","92.81","0.04","97.68","0.04","707.1","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 N3 O4 -","- C14 H8 N3 O3 -","- C28 H16 N6 O6 -","2","1","","Yi, Chenyi; Blum, Carmen; Liu, Shi-Xia; Keene, Tony D.; Frei, Gabriela; Neels, Antonia; Decurtins, Silvio","Isolable zwitterionic pyridinio-semiquinone pi-radicals. Mild and efficient single-step access to stable radicals.","Organic letters","2009","11","11","2261","2264","10.1021/ol900559p","","","0.71073","MoKα","","0.2853","0.0758","","","0.132","0.1763","","","","","","0.603","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503893","6.7684","0.0014","11.7812","0.0016","17.823","0.003","90","","101.12","0.015","90","","1394.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N3 O3 -","- C16 H12 N3 O3 -","- C64 H48 N12 O12 -","4","1","","Yi, Chenyi; Blum, Carmen; Liu, Shi-Xia; Keene, Tony D.; Frei, Gabriela; Neels, Antonia; Decurtins, Silvio","Isolable zwitterionic pyridinio-semiquinone pi-radicals. Mild and efficient single-step access to stable radicals.","Organic letters","2009","11","11","2261","2264","10.1021/ol900559p","","","0.71073","MoKα","","0.1336","0.0572","","","0.127","0.1524","","","","","","0.852","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503894","6.3879","0.0008","12.146","0.002","19.036","0.002","90","","98.293","0.01","90","","1461.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N3 O4 -","- C16 H12 N3 O4 -","- C64 H48 N12 O16 -","4","1","","Yi, Chenyi; Blum, Carmen; Liu, Shi-Xia; Keene, Tony D.; Frei, Gabriela; Neels, Antonia; Decurtins, Silvio","Isolable zwitterionic pyridinio-semiquinone pi-radicals. Mild and efficient single-step access to stable radicals.","Organic letters","2009","11","11","2261","2264","10.1021/ol900559p","","","0.71073","MoKα","","0.1433","0.0983","","","0.2605","0.2763","","","","","","0.988","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503895","8.7523","0.0006","10.4027","0.0007","27.1256","0.0019","90","","90","","90","","2469.7","0.3","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Cl2 N O P Pd -","- C26 H28 Cl2 N O P Pd -","- C104 H112 Cl8 N4 O4 P4 Pd4 -","4","1","","Bélanger, Etienne; Pouliot, Marie-France; Paquin, Jean-François","Use of 5,5-(dimethyl)-i-Pr-PHOX as a practical equivalent to t-Bu-PHOX in asymmetric catalysis.","Organic letters","2009","11","10","2201","2204","10.1021/ol9005618","","","0.71073","MoKα","","0.0206","0.0191","","","0.0457","0.0464","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503896","10.466","0.0006","11.7421","0.0007","27.8012","0.0017","90","","90","","90","","3416.6","0.4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl8 N O P Pd -","- C28 H32 Cl8 N O P Pd -","- C112 H128 Cl32 N4 O4 P4 Pd4 -","4","1","","Bélanger, Etienne; Pouliot, Marie-France; Paquin, Jean-François","Use of 5,5-(dimethyl)-i-Pr-PHOX as a practical equivalent to t-Bu-PHOX in asymmetric catalysis.","Organic letters","2009","11","10","2201","2204","10.1021/ol9005618","","","0.71073","MoKα","","0.0497","0.0468","","","0.1213","0.1229","","","","","","1.122","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503897","9.7231","0.0008","9.0749","0.0007","13.0834","0.001","90","","90","","90","","1154.43","0.16","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H18 N4 O2 -","- C11 H18 N4 O2 -","- C44 H72 N16 O8 -","4","1","","Kelly, Ann Rowley; Wei, Jingqiang; Kesavan, Sarathy; Marié, Jean-Charles; Windmon, Nicole; Young, Damian W.; Marcaurelle, Lisa A.","Accessing skeletal diversity using catalyst control: formation of n and n + 1 macrocyclic triazole rings.","Organic letters","2009","11","11","2257","2260","10.1021/ol900562u","","","0.71073","MoKα","","0.0281","0.0271","","","0.0716","0.0726","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503898","11.0654","0.001","7.8055","0.0007","14.9411","0.0013","90","","99.899","0.002","90","","1271.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 N4 O2.5 -","- C12 H19 N4 O2.5 -","- C48 H76 N16 O10 -","4","2","","Kelly, Ann Rowley; Wei, Jingqiang; Kesavan, Sarathy; Marié, Jean-Charles; Windmon, Nicole; Young, Damian W.; Marcaurelle, Lisa A.","Accessing skeletal diversity using catalyst control: formation of n and n + 1 macrocyclic triazole rings.","Organic letters","2009","11","11","2257","2260","10.1021/ol900562u","","","0.71073","MoKα","","0.0322","0.0307","","","0.0821","0.0838","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503899","13.8807","0.0018","14.3918","0.0018","9.6755","0.0012","90","","107.133","0.002","90","","1847.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl3 N4 O2 -","- C15 H23 Cl3 N4 O2 -","- C60 H92 Cl12 N16 O8 -","4","1","","Kelly, Ann Rowley; Wei, Jingqiang; Kesavan, Sarathy; Marié, Jean-Charles; Windmon, Nicole; Young, Damian W.; Marcaurelle, Lisa A.","Accessing skeletal diversity using catalyst control: formation of n and n + 1 macrocyclic triazole rings.","Organic letters","2009","11","11","2257","2260","10.1021/ol900562u","","","0.71073","MoKα","","0.0374","0.0312","","","0.079","0.0836","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503900","10.0146","0.0011","9.3156","0.001","16.9927","0.0019","90","","100.27","0.002","90","","1559.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 F2 N O3 S2 -","- C14 H13 F2 N O3 S2 -","- C56 H52 F8 N4 O12 S8 -","4","1","","Zhang, Wei; Wang, Fei; Hu, Jinbo","N-Tosyl-S-difluoromethyl-S-phenylsulfoximine: a new difluoromethylation reagent for S-, N-, and C-nucleophiles.","Organic letters","2009","11","10","2109","2112","10.1021/ol900567c","","","0.71073","MoKα","","0.0654","0.0478","","","0.1202","0.1298","","","","","","0.971","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503901","21.672","0.011","6.034","0.003","18.445","0.009","90","","111.168","0.008","90","","2249.3","1.9","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H25 Br O4 -","- C26 H25 Br O4 -","- C104 H100 Br4 O16 -","4","1","","Nair, Vijay; Babu, Beneesh P.; Vellalath, Sreekumar; Varghese, Vimal; Raveendran, Anabha E.; Suresh, Eringathodi","Nucleophilic heterocyclic carbene catalyzed annulation of enals to chalcones in methanol: a stereoselective synthesis of highly functionalized cyclopentanes.","Organic letters","2009","11","12","2507","2510","10.1021/ol900571x","","","0.71073","MoKα","","0.1355","0.0784","","","0.1463","0.1653","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503902","7.7578","0.0016","10.497","0.002","10.791","0.002","71.02","0.03","75.69","0.03","74.48","0.03","788.2","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Yu, Wenquan; Du, Yunfei; Zhao, Kang","PIDA-mediated oxidative C-C bond formation: novel synthesis of indoles from N-aryl enamines.","Organic letters","2009","11","11","2417","2420","10.1021/ol900576a","","","0.71073","MoKα","","0.0428","0.0367","","","0.0984","0.1026","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503903","9.3344","0.0008","9.5233","0.0008","10.9791","0.0009","77.329","0.009","68.367","0.009","69.877","0.01","847.06","0.14","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","tert-butyl 4-iodo-2-(4-methoxyphenyl)-1H-pyrrole-1-carboxylate","","- C16 H18 I N O3 -","- C16 H18 I N O3 -","- C32 H36 I2 N2 O6 -","2","1","","Merkul, Eugen; Boersch, Christina; Frank, Walter; Müller, Thomas J J","Three-component synthesis of N-Boc-4-iodopyrroles and sequential one-pot alkynylation.","Organic letters","2009","11","11","2269","2272","10.1021/ol900581a","","","0.71073","MoKα","","0.0331","0.0301","","","0.0807","0.0817","","","","","","1.147","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503904","10.795","0.002","12.833","0.003","13.549","0.003","90","","90","","90","","1877","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Br O5 -","- C20 H23 Br O5 -","- C80 H92 Br4 O20 -","4","1","","Calter, Michael A.; Wang, Jun","Catalytic, asymmetric Michael reactions of cyclic diketones with beta,gamma-unsaturated alpha-ketoesters.","Organic letters","2009","11","10","2205","2208","10.1021/ol900586f","","","0.71073","MoKα","","0.0746","0.043","","","0.0716","0.0799","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503905","5.8676","0.0002","8.9556","0.0003","27.5262","0.0008","90","","90","","90","","1446.44","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Ruppel, Joshua V.; Gauthier, Ted J.; Snyder, Nicole L.; Perman, Jason A.; Zhang, X. Peter","Asymmetric Co(II)-catalyzed cyclopropanation with succinimidyl diazoacetate: general synthesis of chiral cyclopropyl carboxamides.","Organic letters","2009","11","11","2273","2276","10.1021/ol9005882","","","1.54178","CuKα","","0.052","0.0392","","","0.1048","0.1103","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503906","24.138","0.003","8.8059","0.0008","10.177","0.0011","90","","90","","90","","2163.2","0.4","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C28 H30 O4 -","- C28 H30 O4 -","- C112 H120 O16 -","4","1","","Mitasev, Branko; Porco, Jr, John A","Manganese(III)-mediated transformations of phloroglucinols: a formal oxidative [4 + 2] cycloaddition leading to bicyclo[2.2.2]octadiones.","Organic letters","2009","11","11","2285","2288","10.1021/ol900590t","","","0.71073","MoKα","","0.0625","0.042","","","0.0874","0.0958","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503907","9.9349","0.0004","10.4509","0.0005","11.9511","0.0005","69.982","0.002","81.438","0.002","88.119","0.002","1152.69","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C48 H64 O8 -","4","2","","Yang, Yong-Sheng; Shen, Zhi-Liang; Loh, Teck-Peng","Zn/InCl(3)-mediated pinacol cross-coupling reactions of aldehydes with alpha,beta-unsaturated ketones in aqueous media.","Organic letters","2009","11","10","2213","2215","10.1021/ol900619d","","","0.71073","MoKα","","0.0797","0.0533","","","0.1505","0.1727","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503908","12.3541","0.0002","5.5088","0.0001","13.1359","0.0002","90","","100.053","0.0009","90","","880.25","0.03","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0756","0.046","","0.1152","0.1039","0.115","","","","","","0.9367","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503909","5.6093","0.0001","23.6664","0.0004","7.6037","0.0001","90","","109.911","0.0008","90","","949.07","0.03","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0452","0.0416","","0.0989","0.0971","0.0989","","","","","","0.976","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503910","6.1125","0.0001","15.5663","0.0003","11.1621","0.0002","90","","99.2961","0.0008","90","","1048.11","0.03","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0443","0.0392","","0.0924","0.0891","0.0924","","","","","","0.9619","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503911","18.0508","0.0004","6.2709","0.0001","9.1222","0.0002","90","","100.999","0.0009","90","","1013.62","0.04","150","","150","","","","","","","","org. synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0581","0.0429","","0.1061","0.0986","0.1061","","","","","","0.9412","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503912","6.0282","0.0001","12.9201","0.0002","14.5745","0.0002","90.8275","0.0006","93.8444","0.0006","100.014","0.0008","1114.93","0.03","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N O2.5 -","- C12 H16 N O2.5 -","- C48 H64 N4 O10 -","4","2","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0542","0.0402","","0.1015","0.0962","0.1015","","","","","","0.9693","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503913","8.6393","0.0002","5.2004","0.0001","14.3361","0.0004","90","","90.8101","0.0012","90","","644.03","0.03","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0485","0.0377","","0.0869","0.0838","0.0869","","","","","","0.9792","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503914","22.3219","0.0004","22.3219","0.0004","12.1112","0.0003","90","","90","","120","","5226.13","0.19","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C216 H270 N18 O36 -","18","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0548","0.0411","","0.1077","0.1007","0.1077","","","","","","0.9521","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503915","32.886","0.0012","6.0205","0.0003","14.9007","0.0007","90","","109.973","0.002","90","","2772.7","0.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0989","0.0523","","0.1168","0.0988","0.1163","","","","","","0.9061","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503916","4.9749","0.0001","7.8699","0.0001","22.0125","0.0005","90","","95.2915","0.0008","90","","858.16","0.03","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 N O3 -","- C8 H15 N O3 -","- C32 H60 N4 O12 -","4","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0434","0.0389","","0.0966","0.0949","0.0966","","","","","","1.0088","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503917","18.3496","0.0003","9.3578","0.0002","11.8645","0.0002","90","","120.022","0.0009","90","","1763.94","0.06","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C72 H120 N8 O16 -","8","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0472","0.0364","","0.0854","0.0813","0.0854","","","","","","0.9426","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503918","11.2229","0.0002","22.1408","0.0004","7.3452","0.0001","90","","116.176","0.0009","90","","1637.98","0.05","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H27 N3 O4 Os -","- C14 H27 N3 O4 Os -","- C56 H108 N12 O16 Os4 -","4","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.023","0.0225","","0.0584","0.0579","0.0584","","","","","","0.9614","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503919","7.6848","0.0017","10.09","0.002","17.842","0.004","90","","90","","90","","1383.5","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","09032a","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","Hayashi, Ryuji; Hsung, Richard P.; Feltenberger, John B.; Lohse, Andrew G.","Regio- and stereoselective isomerizations of allenamides: synthesis of 2-amido-dienes and their tandem isomerization-electrocyclic ring-closure.","Organic letters","2009","11","10","2125","2128","10.1021/ol900647s","","","0.71073","MoKα","","0.0357","0.0297","","","0.0784","0.084","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503920","8.0655","0.0004","19.1953","0.001","11.1304","0.0006","90","","92.144","0.001","90","","1722","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O S -","- C21 H21 N O S -","- C84 H84 N4 O4 S4 -","4","1","","Clayden, Jonathan; Fletcher, Stephen P.; Rowbottom, S. J. M.; Helliwell, Madeleine","Conformational preferences of a polar biaryl: a phase- and enantiomeric purity-dependent molecular hinge.","Organic letters","2009","11","11","2313","2316","10.1021/ol9006635","","","0.71073","MoKα","","0.038","0.0358","","","0.0972","0.099","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503921","9.7337","0.0007","9.7337","0.0007","32.624","0.005","90","","90","","120","","2676.8","0.5","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C21 H22 N O1.5 S -","- C21 H22 N O1.5 S -","- C126 H132 N6 O9 S6 -","6","2","","Clayden, Jonathan; Fletcher, Stephen P.; Rowbottom, S. J. M.; Helliwell, Madeleine","Conformational preferences of a polar biaryl: a phase- and enantiomeric purity-dependent molecular hinge.","Organic letters","2009","11","11","2313","2316","10.1021/ol9006635","","","0.71073","MoKα","","0.0625","0.0467","","","0.0768","0.0803","","","","","","0.869","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503922","9.958","0.002","14.194","0.003","6.82","0.0014","90","","109.25","0.03","90","","910.1","0.4","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cl N2 -","- C10 H7 Cl N2 -","- C40 H28 Cl4 N8 -","4","1","","Li, Xiaoxun; Du, Yunfei; Liang, Zhidan; Li, Xiangke; Pan, Yan; Zhao, Kang","Simple conversion of enamines to 2H-azirines and their rearrangements under thermal conditions.","Organic letters","2009","11","12","2643","2646","10.1021/ol9006663","","","0.71073","MoKα","","0.0368","0.0295","","","0.0853","0.0888","","","","","","1.131","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503923","6.9189","0.0014","7.062","0.0014","11.947","0.002","74.48","0.03","74.71","0.03","66.39","0.03","507.2","0.2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C22 H20 N4 O6 -","2","1","","Li, Xiaoxun; Du, Yunfei; Liang, Zhidan; Li, Xiangke; Pan, Yan; Zhao, Kang","Simple conversion of enamines to 2H-azirines and their rearrangements under thermal conditions.","Organic letters","2009","11","12","2643","2646","10.1021/ol9006663","","","0.71073","MoKα","","0.0462","0.0366","","","0.0921","0.0966","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503924","6.7893","0.0002","10.428","0.0002","23.669","0.0005","90","","90","","90","","1675.74","0.07","100","2","100","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","6-(1-hydroxy-1-methyl-ethyl)-3,3-dimethyl- 7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid","","","- C12 H18 Cl3 N O4 S -","- C12 H18 Cl3 N O4 S -","- C48 H72 Cl12 N4 O16 S4 -","4","1","","Testero, Sebastian A.; O'Daniel, Peter I; Shi, Qicun; Lee, Mijoon; Hesek, Dusan; Ishiwata, Akihiro; Noll, Bruce C.; Mobashery, Shahriar","Regiospecific syntheses of 6alpha-(1R-Hydroxyoctyl)penicillanic acid and 6beta-(1R-hydroxyoctyl)penicillanic acid as mechanistic probes of class D beta-lactamases.","Organic letters","2009","11","12","2515","2518","10.1021/ol900668k","","x-ray","1.54178","CuKα","","0.0236","0.0234","","","0.0605","0.0606","","","","","","1.097","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503925","9.2806","0.0006","9.818","0.0006","25.3589","0.0016","90","","90.301","0.002","90","","2310.6","0.3","100","2","100","2","","","","","","","synthesized","6","P 1 21 1","P 2yb","4","6-(1-hydroxy-1-methyl-ethyl)-3,3-dimethyl- 7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane- 2-carboxylic acid benzhydryl ester","","","- C24 H26 Br N O4 S -","- C24 H26 Br N O4 S -","- C96 H104 Br4 N4 O16 S4 -","4","2","","Testero, Sebastian A.; O'Daniel, Peter I; Shi, Qicun; Lee, Mijoon; Hesek, Dusan; Ishiwata, Akihiro; Noll, Bruce C.; Mobashery, Shahriar","Regiospecific syntheses of 6alpha-(1R-Hydroxyoctyl)penicillanic acid and 6beta-(1R-hydroxyoctyl)penicillanic acid as mechanistic probes of class D beta-lactamases.","Organic letters","2009","11","12","2515","2518","10.1021/ol900668k","","x-ray","1.54178","CuKα","","0.0217","0.0216","","","0.0529","0.053","","","","","","1.095","","","","has coordinates,has disorder","301775","2025-08-18","14:01:20",""
"1503926","10.102","0.0003","12.1513","0.0004","16.7878","0.0005","90","","90","","90","","2060.74","0.11","100","2","100","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","Benzhydryl 6,6-dibromopenicillanate","","","- C21 H19 Br2 N O3 S -","- C21 H19 Br2 N O3 S -","- C84 H76 Br8 N4 O12 S4 -","4","1","","Testero, Sebastian A.; O'Daniel, Peter I; Shi, Qicun; Lee, Mijoon; Hesek, Dusan; Ishiwata, Akihiro; Noll, Bruce C.; Mobashery, Shahriar","Regiospecific syntheses of 6alpha-(1R-Hydroxyoctyl)penicillanic acid and 6beta-(1R-hydroxyoctyl)penicillanic acid as mechanistic probes of class D beta-lactamases.","Organic letters","2009","11","12","2515","2518","10.1021/ol900668k","","x-ray","1.54178","CuKα","","0.0301","0.03","","","0.0762","0.0763","","","","","","1.137","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503927","11.269","0.003","5.309","0.0016","12.835","0.004","90","","90.832","0.005","90","","767.8","0.4","100","2","100","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C16 H20 O7 -","- C16 H20 O7 -","- C32 H40 O14 -","2","0.5","","Schneider, Tobias F.; Kaschel, Johannes; Dittrich, Birger; Werz, Daniel B.","anti-Oligoannelated THF moieties: synthesis via push-pull-substituted cyclopropanes.","Organic letters","2009","11","11","2317","2320","10.1021/ol900694m","","","0.71073","MoKα","","0.0806","0.0556","","","0.1256","0.1408","","","","","","1.082","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503928","6.1208","0.0007","9.984","0.002","17.437","0.002","90","","90","","90","","1065.6","0.3","100","2","100","2","","","","","","","synthesis","3","C 2 2 21","C 2c 2","20","all-anti-Pentatetrahydrofuran","all-anti-2,3,4-5-Tetrakis(tetrahydrofuro)furan","","- C12 H12 O5 -","- C12 H12 O5 -","- C48 H48 O20 -","4","0.5","","Schneider, Tobias F.; Kaschel, Johannes; Dittrich, Birger; Werz, Daniel B.","anti-Oligoannelated THF moieties: synthesis via push-pull-substituted cyclopropanes.","Organic letters","2009","11","11","2317","2320","10.1021/ol900694m","","","0.7107","MoKα","","0.0422","0.0293","","","","0.0379","","","","","","1.6922","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503929","42.329","0.008","5.8139","0.0013","11.242","0.002","90","","90","","90","","2766.6","0.9","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","all-anti-Heptatetrahydrofuran","all-anti-2,3,4-5-Hexakis(tetrahydrofuro)furan","","- C16 H16 O7 -","- C16 H16 O7 -","- C128 H128 O56 -","8","0.5","","Schneider, Tobias F.; Kaschel, Johannes; Dittrich, Birger; Werz, Daniel B.","anti-Oligoannelated THF moieties: synthesis via push-pull-substituted cyclopropanes.","Organic letters","2009","11","11","2317","2320","10.1021/ol900694m","","","1.54178","CuKα","","0.063","0.0612","","","0.1711","0.172","","","","","","1.189","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503930","5.7503","0.0006","10.5035","0.0011","14.432","0.0015","87.326","0.002","82.357","0.002","81.262","0.002","853.59","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C38 H44 N4 O6 -","2","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0708","0.063","","","0.1849","0.1975","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503931","5.7787","0.0005","10.6482","0.001","14.3895","0.0014","86.801","0.002","78.749","0.002","78.606","0.002","851.16","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C38 H44 N4 O6 -","2","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0654","0.0525","","","0.1426","0.1552","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503932","9.7178","0.0008","12.0387","0.001","29.641","0.003","90","","90","","90","","3467.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H26 N2 O3 -","- C18 H26 N2 O3 -","- C144 H208 N16 O24 -","8","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0591","0.0456","","","0.1213","0.1339","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503933","9.1658","0.0011","10.0683","0.0012","20.92","0.002","90","","90","","90","","1930.6","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0691","0.0527","","","0.1433","0.1604","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503934","10.3321","0.0009","12.9156","0.0011","14.6989","0.0012","90","","90","","90","","1961.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O5 -","- C18 H26 N2 O5 -","- C72 H104 N8 O20 -","4","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0688","0.0464","","","0.113","0.1272","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503935","13.1001","0.001","10.7849","0.0008","13.7862","0.0011","90","","93.266","0.001","90","","1944.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 N2 O5 -","- C18 H26 N2 O5 -","- C72 H104 N8 O20 -","4","2","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0529","0.0436","","","0.1169","0.1268","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503936","8.1499","0.0005","11.39","0.0007","21.5007","0.0014","90","","90","","90","","1995.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0485","0.0402","","","0.1061","0.1136","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503937","8.5922","0.0006","15.1199","0.0011","15.2994","0.0011","90","","90","","90","","1987.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0547","0.0423","","","0.106","0.1149","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503938","9.3075","0.0005","16.2765","0.0009","12.9681","0.0007","90","","97.095","0.001","90","","1949.54","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C80 H92 N12 O20 -","4","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0589","0.0478","","","0.1323","0.1437","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503939","8.266","0.001","8.6189","0.001","13.5928","0.0017","90.56","0.002","92.301","0.002","97.502","0.002","959.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C40 H46 N6 O10 -","2","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0704","0.0589","","","0.1616","0.1735","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503940","13.0395","0.0008","14.0038","0.0008","10.7809","0.0006","90","","98.343","0.001","90","","1947.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C80 H92 N12 O20 -","4","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0721","0.0515","","","0.141","0.158","","","","","","1.027","","","","has coordinates,has disorder","301775","2025-08-18","14:01:20",""
"1503941","14.085","0.002","14.146","0.002","19.443","0.003","90","","90","","90","","3873.9","1","120","","120","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C77 H42 Cl4 F24 O4 P4 Rh2 -","- C77 H42 Cl4 F24 O4 P4 Rh2 -","- C154 H84 Cl8 F48 O8 P8 Rh4 -","2","0.5","","Korenaga, Toshinobu; Osaki, Kazutaka; Maenishi, Ryota; Sakai, Takashi","Electron-poor chiral diphosphine ligands: high performance for Rh-catalyzed asymmetric 1,4-addition of arylboronic acids at room temperature.","Organic letters","2009","11","11","2325","2328","10.1021/ol900719z","","","0.71073","MoKα","","0.1159","0.0781","","","0.1951","0.211","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503942","5.841","0.0007","10.3833","0.0013","12.1823","0.0015","68.924","0.002","77.652","0.002","84.613","0.002","673.35","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C32 H38 N2 O4 -","2","1","","Han, Xiuling; Lu, Xiyan","Novel palladium-catalyzed acyloxylation/cyclization of 2-(3'-alkenyl)indoles.","Organic letters","2009","11","11","2381","2384","10.1021/ol9007348","","","0.71073","MoKα","","0.0613","0.0533","","","0.1461","0.1528","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503943","6.936","0.002","17.283","0.004","20.657","0.005","90","","90","","90","","2476.3","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-((4E,5Z)-5-amino-4,5-bis(hydroxyimino)pentyl) -3H-pyrrole-5-carboxamide","","- C10 H15 N5 O3 -","- C10 H15 N5 O3 -","- C80 H120 N40 O24 -","8","1","","Picon, Sylvain; Tran, Huu Dau Elise; Martin, Marie-Thérèse; Retailleau, Pascal; Zaparucha, Anne; Al-Mourabit, Ali","Biomimetically inspired short access to the 2-aminoimidazole-fused tetracyclic core of (+/-)-dibromoagelaspongin.","Organic letters","2009","11","12","2523","2526","10.1021/ol900745c","","","0.71069","MoKα","","0.0662","0.0428","","","0.1085","0.1213","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503944","11.905","0.004","13.448","0.005","12.532","0.005","90","","118.03","0.02","90","","1771","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,3-dibromo-6,6-deuterated dihydroxy-4a-(pyrimidin-2-yl deuterated amino) -5,6,7,8-tetrahydro-4aH, 10Hpyrrolo[1',2':3,4]imidazo[1,2-a]pyridin-10-one deuterated hydrate","","- C14 H10 Br2 D5 N5 O4 -","- C14 H10 Br2 D5 N5 O4 -","- C56 H40 Br8 D20 N20 O16 -","4","1","","Picon, Sylvain; Tran, Huu Dau Elise; Martin, Marie-Thérèse; Retailleau, Pascal; Zaparucha, Anne; Al-Mourabit, Ali","Biomimetically inspired short access to the 2-aminoimidazole-fused tetracyclic core of (+/-)-dibromoagelaspongin.","Organic letters","2009","11","12","2523","2526","10.1021/ol900745c","","","0.71069","MoKα","","0.1109","0.0558","","","0.1159","0.1376","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503945","38.18","0.003","8.344","0.0006","14.4486","0.0009","90","","108.287","0.001","90","","4370.5","0.5","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 O6 -","- C25 H22 O6 -","- C200 H176 O48 -","8","1","","Wang, Kung K.; Wang, Yu-Hsuan; Yang, Hua; Akhmedov, Novruz G.; Petersen, Jeffrey L.","Synthesis of a C(56)H(40) hydrocarbon bearing a 54-carbon framework of C(60).","Organic letters","2009","11","12","2527","2530","10.1021/ol900749a","","","0.71073","MoKα","","0.0727","0.0487","","","0.1324","0.1512","","","","","","1.012","","","","has coordinates,has disorder","301775","2025-08-18","14:01:20",""
"1503946","16.5901","0.0013","6.2077","0.0005","21.518","0.002","90","","112.619","0.001","90","","2045.6","0.3","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O5 -","- C24 H24 O5 -","- C96 H96 O20 -","4","1","","Wang, Kung K.; Wang, Yu-Hsuan; Yang, Hua; Akhmedov, Novruz G.; Petersen, Jeffrey L.","Synthesis of a C(56)H(40) hydrocarbon bearing a 54-carbon framework of C(60).","Organic letters","2009","11","12","2527","2530","10.1021/ol900749a","","","0.71073","MoKα","","0.0702","0.0481","","","0.1263","0.1403","","","","","","1.041","","","","has coordinates,has disorder","301775","2025-08-18","14:01:20",""
"1503947","14.3259","0.0012","10.8416","0.0009","18.3401","0.0015","90","","96.073","0.002","90","","2832.5","0.4","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 O3 -","- C40 H28 O3 -","- C160 H112 O12 -","4","1","","Wang, Kung K.; Wang, Yu-Hsuan; Yang, Hua; Akhmedov, Novruz G.; Petersen, Jeffrey L.","Synthesis of a C(56)H(40) hydrocarbon bearing a 54-carbon framework of C(60).","Organic letters","2009","11","12","2527","2530","10.1021/ol900749a","","","0.71073","MoKα","","0.1098","0.0597","","","0.1495","0.1777","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503948","11.0096","0.0009","11.961","0.001","23.52","0.002","90","","96.074","0.001","90","","3079.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 I2 O2 -","- C40 H28 I2 O2 -","- C160 H112 I8 O8 -","4","1","","Wang, Kung K.; Wang, Yu-Hsuan; Yang, Hua; Akhmedov, Novruz G.; Petersen, Jeffrey L.","Synthesis of a C(56)H(40) hydrocarbon bearing a 54-carbon framework of C(60).","Organic letters","2009","11","12","2527","2530","10.1021/ol900749a","","","0.71073","MoKα","","0.0507","0.0423","","","0.1166","0.1223","","","","","","1.075","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503949","10.2108","0.0007","14.0601","0.0009","18.1008","0.0012","88.627","0.001","88.322","0.001","70.761","0.001","2452.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H40 Cl4 I2 O2 -","- C57 H38 Cl2 I2 O2 -","- C114 H76 Cl4 I4 O4 -","2","1","","Wang, Kung K.; Wang, Yu-Hsuan; Yang, Hua; Akhmedov, Novruz G.; Petersen, Jeffrey L.","Synthesis of a C(56)H(40) hydrocarbon bearing a 54-carbon framework of C(60).","Organic letters","2009","11","12","2527","2530","10.1021/ol900749a","","","0.71073","MoKα","","0.0847","0.0691","","","0.1955","0.2091","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503950","32.948","0.003","17.014","0.001","31.987","0.002","90","","90","","90","","17931","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C57.5 H40.5 Cl I2 O -","- C56 H37 Cl I2 O -","- C896 H592 Cl16 I32 O16 -","16","2","","Wang, Kung K.; Wang, Yu-Hsuan; Yang, Hua; Akhmedov, Novruz G.; Petersen, Jeffrey L.","Synthesis of a C(56)H(40) hydrocarbon bearing a 54-carbon framework of C(60).","Organic letters","2009","11","12","2527","2530","10.1021/ol900749a","","","0.71073","MoKα","","0.0955","0.0695","","","0.1946","0.2096","","","","","","1.106","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503951","12.846","0.002","17.476","0.003","15.118","0.002","90","","90.186","0.002","90","","3393.9","0.9","260","2","260","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C160 H200 N8 O16 -","8","2","","Tian, Xia; Huters, Alexander D.; Douglas, Colin J.; Garg, Neil K.","Concise synthesis of the bicyclic scaffold of N-methylwelwitindolinone C isothiocyanate via an indolyne cyclization.","Organic letters","2009","11","11","2349","2351","10.1021/ol9007684","","","0.71073","MoKα","","0.0906","0.0516","","","0.1352","0.1488","","","","","","0.925","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503952","27.2828","0.0005","7.17088","0.00013","15.7671","0.0003","90","","106.857","0.0007","90","","2952.16","0.1","93.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C160 H144 O24 -","8","2","","Kuninobu, Yoichiro; Morita, Junya; Nishi, Mitsumi; Kawata, Atsushi; Takai, Kazuhiko","Rhenium-catalyzed formation of bicyclo[3.3.1]nonene frameworks by a reaction of cyclic beta-keto esters with terminal alkynes.","Organic letters","2009","11","12","2535","2537","10.1021/ol900772h","","","1.54187","CuKα","","","0.0713","","","","0.1949","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503953","12.7416","0.0003","13.0016","0.0003","23.9379","0.0007","77.838","0.001","86.008","0.001","69.139","0.002","3622.39","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H66 Cl6 N8 O3 Zn -","- C86 H66 Cl6 N8 O3 Zn -","- C172 H132 Cl12 N16 O6 Zn2 -","2","1","","Lo, Mamadou; Mahajan, Dinesh; Wytko, Jennifer A.; Boudon, Corinne; Weiss, Jean","Toward generic models of hemoproteins.","Organic letters","2009","11","12","2487","2490","10.1021/ol900774d","","","0.71073","MoKα","","0.1333","0.0866","","","0.2002","0.224","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503954","20.4836","0.0011","4.609","0.0002","15.63","0.0009","90","","97.35","0.002","90","","1463.49","0.13","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","0.5","","Xiao, Jian; Loh, Teck-Peng","Design, synthesis and optical resolution of new bifunctional ligand: 1,1'-dimethyl-octahydro-8,8'-biquinoline-7,7'-diol.","Organic letters","2009","11","13","2876","2879","10.1021/ol900790z","","","0.71073","MoKα","","0.0554","0.047","","","0.1313","0.1442","","","","","","1.073","","","","has coordinates,has disorder","301775","2025-08-18","14:01:20",""
"1503955","12.3403","0.0004","14.6166","0.0004","15.2085","0.0005","90","","90","","90","","2743.21","0.15","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 N2 O4 -","- C31 H42 N2 O4 -","- C124 H168 N8 O16 -","4","1","","Xiao, Jian; Loh, Teck-Peng","Design, synthesis and optical resolution of new bifunctional ligand: 1,1'-dimethyl-octahydro-8,8'-biquinoline-7,7'-diol.","Organic letters","2009","11","13","2876","2879","10.1021/ol900790z","","","0.71073","MoKα","","0.0596","0.0421","","","0.1068","0.1319","","","","","","1.184","","","","has coordinates,has disorder","301775","2025-08-18","14:01:20",""
"1503956","9.4826","0.0006","11.5606","0.0008","14.2207","0.0009","68.11","0.001","78.325","0.001","84.522","0.001","1416.27","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 B O2 -","- C15 H23 B O2 -","- C60 H92 B4 O8 -","4","2","","Erdyakov, Sergey Yu; Ignatenko, Anatolii V.; Potapova, Tamara V.; Lyssenko, Konstantin A.; Gurskii, Mikhail E.; Bubnov, Yuri N.","Design of bicyclic and cage boron compounds based on allylboration of acetylenes with allyldichloroboranes.","Organic letters","2009","11","13","2872","2875","10.1021/ol900793r","","","0.71073","MoKα","","0.0896","0.0568","","","0.1444","0.168","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503957","11.2017","0.0017","13.174","0.002","13.299","0.002","66.3","0.003","79.906","0.003","72.084","0.003","1706.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H34 B N -","- C20 H34 B N -","- C80 H136 B4 N4 -","4","2","","Erdyakov, Sergey Yu; Ignatenko, Anatolii V.; Potapova, Tamara V.; Lyssenko, Konstantin A.; Gurskii, Mikhail E.; Bubnov, Yuri N.","Design of bicyclic and cage boron compounds based on allylboration of acetylenes with allyldichloroboranes.","Organic letters","2009","11","13","2872","2875","10.1021/ol900793r","","","0.71073","MoKα","","0.14","0.0635","","","0.1304","0.1643","","","","","","0.947","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503958","13.756","0.003","16.679","0.004","19.491","0.004","97.186","0.003","107.111","0.003","107.699","0.003","3957.1","1.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H102 Cl6 O4 S8 -","- C74 H102 Cl6 O4 S8 -","- C148 H204 Cl12 O8 S16 -","2","1","","Chen, Guang; Dawe, Louise; Wang, Li; Zhao, Yuming","Planar acetylene-expanded TTFAQ analogues.","Organic letters","2009","11","13","2736","2739","10.1021/ol900794j","","","0.71075","MoKα","","0.0585","0.0516","","","0.1235","0.1295","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503959","9.5388","0.0006","14.56","0.001","10.9484","0.0007","90","","109.057","0.004","90","","1437.23","0.17","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H30 F6 N2 O3 -","- C31 H30 F6 N2 O3 -","- C62 H60 F12 N4 O6 -","2","1","","Wen, Yuehong; Zhao, Baoguo; Shi, Yian","Cu(I)-catalyzed diamination of disubstituted terminal olefins: an approach to potent NK1 antagonist.","Organic letters","2009","11","11","2365","2368","10.1021/ol900808z","","","0.71073","MoKα","","0.1293","0.0562","","","0.1185","0.1478","","","","","","0.967","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503960","9.079","0.008","11.625","0.009","11.712","0.01","90","0.002","112.694","0.003","90","0.002","1140.4","1.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BTS","BTS","","- C12 H6 Se3 -","- C15.51 H4.5 Se2.37 -","- C62.04 H18 Se9.48 -","4","1","","Kashiki, Tomoya; Shinamura, Shoji; Kohara, Masahiro; Miyazaki, Eigo; Takimiya, Kazuo; Ikeda, Masaaki; Kuwabara, Hirokazu","One-pot synthesis of benzo[b]thiophenes and benzo[b]selenophenes from o-halo-substituted ethynylbenzenes: convenient approach to mono-, bis-, and tris-chalcogenophene-annulated benzenes.","Organic letters","2009","11","11","2473","2475","10.1021/ol900809w","","","0.7107","MoKα","","0.0793","0.0571","","","0.1576","0.1706","","","","","","0.953","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503961","25.1341","0.0012","9.5269","0.0005","16.8986","0.0008","90","","128.434","0.001","90","","3169.6","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","<i>(E)</i> Ethyl-3-(2'-tertbutyl-3'-ethoxycarbonyl-2'-(1"",1""-bistrimethylsilyl-2"",2"",2""- trimethyldisilanyl)cyclop-1'-yl)-prop-2-enoate","","- C24 H50 O5 Si4 -","- C24 H50 O5 Si4 -","- C96 H200 O20 Si16 -","4","1","","Bower, Justin; Box, Matthew R.; Czyzewski, Michal; Goeta, Andres E.; Steel, Patrick G.","Acyl polysilanes: new acyl anion equivalents for additions to electron-deficient alkenes.","Organic letters","2009","11","13","2744","2747","10.1021/ol900813z","","","0.71073","MoKα","","0.0556","0.052","","","0.1593","0.1635","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503962","9.4608","0.0005","13.0758","0.0006","14.0284","0.0008","90","","90","","90","","1735.42","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2,2,2-Trichloro-acetyl)-carbamic acid (1R,2S,3S,4S,7R,8S)- 4-methoxymethyl-11-oxatricyclo[6.2.1.0^2,7^]undeca-5,9- dien-3-yl ester","","- C15 H16 Cl3 N O5 -","- C15 H16 Cl3 N O5 -","- C60 H64 Cl12 N4 O20 -","4","1","","Gromov, Alexey; Enev, Valentin; Mulzer, Johann","A desymmetrization approach toward highly oxygenated cis-decalins.","Organic letters","2009","11","13","2884","2886","10.1021/ol900834c","","","0.71073","MoKα","","0.0304","0.0276","","","0.0758","0.0779","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503963","6.9194","0.0002","7.8312","0.0002","30.9251","0.0009","90","","90","","90","","1675.74","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1aR,2R,3R,3aS,7aR,7bS)-3-(4-Methoxy-benzyloxy)-2- methoxymethyl-1a,3,3a,7,7a,7b-hexahydro-2H-1-oxa- cyclopropa[a]naphthalen-4-one","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Gromov, Alexey; Enev, Valentin; Mulzer, Johann","A desymmetrization approach toward highly oxygenated cis-decalins.","Organic letters","2009","11","13","2884","2886","10.1021/ol900834c","","","0.71073","MoKα","","0.0339","0.031","","","0.081","0.083","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503964","7.7299","0.0013","9.2123","0.0015","12.422","0.002","69.112","0.002","81.845","0.002","85.655","0.002","817.8","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H21 S -","- C21 H21 S -","- C42 H42 S2 -","2","1","","Wang, Jing; Liu, Ke; Liu, Yi-Yang; Song, Cheng-Li; Shi, Zi-Fa; Peng, Jun-Biao; Zhang, Hao-Li; Cao, Xiao-Ping","New oligothiophene-pentacene hybrids as highly stable and soluble organic semiconductors.","Organic letters","2009","11","12","2563","2566","10.1021/ol900838a","","","0.71073","MoKα","","0.0489","0.0413","","","0.1171","0.1329","","","","","","0.584","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503965","9.7999","0.0001","10.2406","0.0001","11.7764","0.0002","90","","90","","90","","1181.84","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Zoute, Ludivine; Kociok-Köhn, Gabriele; Frost, Christopher G.","Rhodium-catalyzed 1,4-additions to enantiopure acceptors: asymmetric synthesis of functionalized pyrrolizidinones.","Organic letters","2009","11","12","2491","2494","10.1021/ol900843a","","","0.71073","MoKα","","0.0363","0.0329","","","0.0854","0.0878","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503966","13.711","0.0007","13.7756","0.0007","14.9349","0.0007","97.877","0.001","95.04","0.001","92.744","0.001","2778.3","0.2","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H50 N4 O10 -","- C62 H50 N4 O10 -","- C124 H100 N8 O20 -","2","1","","She, Nengfang; Gao, Meng; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Sensor for nitrophenol based on a fluorescent molecular clip.","Organic letters","2009","11","12","2603","2606","10.1021/ol900858d","","","0.71073","MoKα","","0.162","0.1265","","","0.3477","0.3775","","","","","","1.307","","","","has coordinates,has disorder","301775","2025-08-18","14:01:20",""
"1503967","9.5509","0.0002","11.1823","0.0003","20.0306","0.0003","90","","90","","90","","2139.29","0.08","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-Arboricine","","- C24 H30 N2 O3 -","- C24 H30 N2 O3 -","- C96 H120 N8 O12 -","4","1","","Wanner, Martin J.; Boots, Rowan N. A.; Eradus, Bram; de Gelder, René; van Maarseveen, Jan H.; Hiemstra, Henk","Organocatalytic enantioselective total synthesis of (-)-arboricine.","Organic letters","2009","11","12","2579","2581","10.1021/ol900888e","","","1.54184","CuKα","","0.0286","0.0277","","0.0711","0.0703","0.0711","","","1.062","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503968","11.2189","0.001","11.3198","0.001","8.7223","0.0008","90","","92.1671","0.0015","90","","1106.9","0.17","90","2","90","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","2","","Oakdale, James S.; Solano, Danielle M.; Fettinger, James C.; Haddadin, Makhluf J.; Kurth, Mark J.","An oxazolo[3,2-b]indazole route to 1H-indazolones.","Organic letters","2009","11","13","2760","2763","10.1021/ol900891s","","","0.71073","MoKα","","0.0386","0.0319","","","0.0751","0.0797","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503969","10.481","0.005","12.266","0.005","13.619","0.005","101.824","0.014","93.497","0.015","91.387","0.016","1709.3","1.2","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H48 S -","- C44 H48 S -","- C88 H96 S2 -","2","1","","Ni, Yang; Nakajima, Kiyohiko; Kanno, Ken-ichiro; Takahashi, Tamotsu","Zirconium-mediated coupling reaction for synthesis of substituted thiophene-fused acenes.","Organic letters","2009","11","16","3702","3705","10.1021/ol900903w","","","0.71075","MoKα","","0.2419","0.0879","","","0.1634","0.2259","","","","","","0.899","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503970","10.052","0.003","17.403","0.007","20.696","0.009","90","","99.771","0.012","90","","3568","2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 S Si2 -","- C38 H50 S Si2 -","- C152 H200 S4 Si8 -","4","1","","Ni, Yang; Nakajima, Kiyohiko; Kanno, Ken-ichiro; Takahashi, Tamotsu","Zirconium-mediated coupling reaction for synthesis of substituted thiophene-fused acenes.","Organic letters","2009","11","16","3702","3705","10.1021/ol900903w","","","0.71075","MoKα","","0.2185","0.0829","","","0.1756","0.2393","","","","","","0.943","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503971","6.2715","0.0002","11.4983","0.0004","34.248","0.0011","90","","90.731","0.001","90","","2469.48","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C112 H120 N8 O24 -","8","2","","Chen, Guofei; Fu, Chunling; Ma, Shengming","A novel synthesis of 1,3-oxazine-2,4-diones via a simple and efficient reaction of CO2 with 2,3-allenamides.","Organic letters","2009","11","13","2900","2903","10.1021/ol9009046","","","0.71073","MoKα","","0.0389","0.0355","","","0.0876","0.0903","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503972","7.711","0.0005","10.5025","0.0007","20.8344","0.0014","90","","90","","90","","1687.27","0.19","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C80 H96 O16 -","4","1","","Majetich, George; Grove, Jeremy L.","Total synthesis of (+)-19-deoxyicetexone, (-)-icetexone, and (+)-5-epi-icetexone.","Organic letters","2009","11","13","2904","2907","10.1021/ol9009128","","","0.71073","MoKα","","0.0544","0.0482","","","0.1411","0.1481","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503973","7.747","0.003","10.338","0.004","20.948","0.009","90","","90","","90","","1677.7","1.2","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Majetich, George; Grove, Jeremy L.","Total synthesis of (+)-19-deoxyicetexone, (-)-icetexone, and (+)-5-epi-icetexone.","Organic letters","2009","11","13","2904","2907","10.1021/ol9009128","","","0.71073","MoKα","","0.1035","0.0462","","","0.1112","0.1437","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503974","12.306","0.004","12.827","0.004","10.576","0.003","90","","90","","90","","1669.4","0.9","273","2","273","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Majetich, George; Grove, Jeremy L.","Total synthesis of (+)-19-deoxyicetexone, (-)-icetexone, and (+)-5-epi-icetexone.","Organic letters","2009","11","13","2904","2907","10.1021/ol9009128","","","0.71073","MoKα","","0.0807","0.0472","","","0.1053","0.1223","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503975","14.0617","0.0002","17.0906","0.0002","19.3399","0.0003","90.8266","0.0005","104.694","0.0005","94.1097","0.0008","4481.69","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C73.8 H12.9 N2 O6.3 S2.4 -","- C73.8 H12 N2 O6.3 S2.4 -","- C295.2 H48 N8 O25.2 S9.6 -","4","2","","Zhang, Qianyan; Jia, Zhenshan; Liu, Shuming; Zhang, Gang; Xiao, Zuo; Yang, Dazhi; Gan, Liangbing; Wang, Zheming; Li, Yuliang","Efficient cage-opening cascade process for the preparation of water-encapsulated [60]fullerene derivatives.","Organic letters","2009","11","13","2772","2774","10.1021/ol9009305","","","0.71073","MoKα","","0.1349","0.0648","","","0.1726","0.2011","","","","","","0.99","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1503976","14.059","0.0002","17.0748","0.0003","19.3384","0.0003","90.9325","0.0007","104.735","0.0007","94.0137","0.0007","4475.79","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C73.8 H13.64 N2 O6.67 S2.4 -","- C73.8 H12 N2 O6.67 S2.4 -","- C295.2 H48 N8 O26.68 S9.6 -","4","2","","Zhang, Qianyan; Jia, Zhenshan; Liu, Shuming; Zhang, Gang; Xiao, Zuo; Yang, Dazhi; Gan, Liangbing; Wang, Zheming; Li, Yuliang","Efficient cage-opening cascade process for the preparation of water-encapsulated [60]fullerene derivatives.","Organic letters","2009","11","13","2772","2774","10.1021/ol9009305","","","0.71073","MoKα","","0.1595","0.0616","","","0.153","0.1842","","","","","","0.946","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1503977","8.0696","0.0002","11.8879","0.0002","22.2809","0.0004","90","","90","","90","","2137.42","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-[4-Phenyl-3-(toluene-4-sulfonyl)-3,4-dihydro-benzo[e][1,3] thiazin-2-ylidene]-acetic acid methyl ester","","- C24 H21 N O4 S2 -","- C24 H21 N O4 S2 -","- C96 H84 N4 O16 S8 -","4","1","","Spitz, Cédric; Lohier, Jean-François; Reboul, Vincent; Metzner, Patrick","Catalytic generation of cesium acetylide by CsF: synthesis of 1,3-benzothiazines from cyclic sulfenamides.","Organic letters","2009","11","13","2776","2779","10.1021/ol9009333","","","0.71073","MoKα","","0.0423","0.0347","","","0.0898","0.0981","","","","","","1.106","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503978","7.9756","0.0013","12.987","0.002","11.917","0.002","90","","95.938","0.009","90","","1227.7","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-[4-Iso-propyl-3-(toluene-4-sulfonyl)-2 -(toluene-4-sulfonylmethylene)-3,4-dihydro-2H-benzo [e][1,3]thiazine","","- C26 H27 N O4 S3 -","- C26 H27 N O4 S3 -","- C52 H54 N2 O8 S6 -","2","1","","Spitz, Cédric; Lohier, Jean-François; Reboul, Vincent; Metzner, Patrick","Catalytic generation of cesium acetylide by CsF: synthesis of 1,3-benzothiazines from cyclic sulfenamides.","Organic letters","2009","11","13","2776","2779","10.1021/ol9009333","","","0.71073","MoKα","","0.0367","0.034","","","0.096","0.0977","","","","","","1.174","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503979","14.8521","0.0006","9.1835","0.0003","13.5407","0.0005","90","","112.831","0.001","90","","1702.18","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O6 -","- C19 H14 N2 O6 -","- C76 H56 N8 O24 -","4","1","","Rasberry, Roger D.; Wu, Xiangyang; Bullock, Brooke N.; Smith, Mark D.; Shimizu, Ken D.","A small molecule diacid with long-term chiral memory.","Organic letters","2009","11","12","2599","2602","10.1021/ol900955q","","","0.71073","MoKα","","0.0474","0.0381","","","0.0986","0.1028","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503980","11.5118","0.0008","8.8192","0.0006","17.5093","0.0014","90","","105.927","0.003","90","","1709.4","0.2","173.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H18 Cl N O6 -","- C17 H18 Cl N O6 -","- C68 H72 Cl4 N4 O24 -","4","1","","Yamazaki, Shoko; Morikawa, Satoshi; Miyazaki, Kazuya; Takebayashi, Masachika; Yamamoto, Yuko; Morimoto, Tsumoru; Kakiuchi, Kiyomi; Mikata, Yuji","Zinc-catalyzed reactions of ethenetricarboxylates with 2-(trimethylsilylethynyl)anilines leading to bridged quinoline derivatives.","Organic letters","2009","11","13","2796","2799","10.1021/ol900960q","","","0.7107","MoKα","","","0.044","","","","0.1197","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503981","9.6009","0.0018","9.9357","0.0019","10.035","0.0019","95.531","0.002","96.755","0.003","110.311","0.002","881.8","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O6 -","- C18 H16 N2 O6 -","- C36 H32 N4 O12 -","2","1","","Liang, Jixuan; Chen, Jingbo; Du, Fengxiang; Zeng, Xianghui; Li, Liang; Zhang, Hongbin","Oxidative carbon-carbon bond formation in the synthesis of bioactive spiro beta-lactams.","Organic letters","2009","11","13","2820","2823","10.1021/ol901005x","","","0.71073","MoKα","","0.1399","0.0593","","","0.1337","0.1736","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503982","6.93904","0.00015","8.06968","0.00017","10.42331","0.00018","90","","90","","90","","583.66","0.02","100","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O2 -","- C5 H10 N2 O2 -","- C20 H40 N8 O8 -","4","1","","Sharma, Rojita; Bulger, Paul G.; McNevin, Michael; Dormer, Peter G.; Ball, Richard G.; Streckfuss, Eric; Cuff, James F.; Yin, Jingjun; Chen, Cheng-yi","A cascade approach to cyclic aminonitrones: reaction discovery, mechanism, and scope.","Organic letters","2009","11","15","3194","3197","10.1021/ol9010147","","","1.5418","CuKα","","","0.026","","","0.07","0.07","","","","","","1.139","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503983","20.5261","0.0002","12.69158","0.00016","9.48439","0.00011","90","","90","","90","","2470.77","0.05","100","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C11 H20 N2 O2 -","- C11 H20 N2 O2 -","- C88 H160 N16 O16 -","8","1","","Sharma, Rojita; Bulger, Paul G.; McNevin, Michael; Dormer, Peter G.; Ball, Richard G.; Streckfuss, Eric; Cuff, James F.; Yin, Jingjun; Chen, Cheng-yi","A cascade approach to cyclic aminonitrones: reaction discovery, mechanism, and scope.","Organic letters","2009","11","15","3194","3197","10.1021/ol9010147","","","1.5418","CuKα","","","0.033","","","0.085","0.088","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503984","7.8324","0.0005","25.8462","0.0018","8.3639","0.0006","90","","107.473","0.001","90","","1615.04","0.19","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C76 H84 N4 O20 -","4","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.","One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.","Organic letters","2009","11","17","3802","3805","10.1021/ol901018k","","","0.71073","MoKα","","0.0864","0.0418","","","0.0932","0.1104","","","","","","1.089","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503985","9.9933","0.001","8.1292","0.0008","19.993","0.0019","90","","103.468","0.002","90","","1579.5","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.","One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.","Organic letters","2009","11","17","3802","3805","10.1021/ol901018k","","","0.71073","MoKα","","0.0695","0.0402","","","0.0958","0.1038","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503986","11.9736","0.0005","13.2421","0.0006","11.3948","0.0005","90","","102.494","0.001","90","","1763.92","0.13","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C88 H84 N4 O12 -","4","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.","One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.","Organic letters","2009","11","17","3802","3805","10.1021/ol901018k","","","0.71073","MoKα","","0.0478","0.0358","","","0.0931","0.1001","","","","","","1.088","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503987","12.049","0.005","15.856","0.006","8.11","0.003","90","","96.293","0.005","90","","1540.1","1","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C72 H76 N4 O20 -","4","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.","One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.","Organic letters","2009","11","17","3802","3805","10.1021/ol901018k","","","0.71073","MoKα","","0.0401","0.0376","","","0.1022","0.1044","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503988","24.45","0.005","8.5899","0.0017","6.914","0.0014","90","","95.112","0.003","90","","1446.3","0.5","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.","One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.","Organic letters","2009","11","17","3802","3805","10.1021/ol901018k","","","0.71073","MoKα","","0.0472","0.0419","","","0.1137","0.1178","","","","","","1.102","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1503989","12.7255","0.0006","9.7373","0.0005","26.8842","0.0013","90","","90","","90","","3331.3","0.3","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C144 H168 N8 O40 -","8","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.","One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.","Organic letters","2009","11","17","3802","3805","10.1021/ol901018k","","","0.71073","MoKα","","0.0386","0.0356","","","0.0953","0.0988","","","","","","1.031","","","","has coordinates,has disorder","301775","2025-08-18","14:01:20",""
"1503990","7.4009","0.0004","9.1172","0.0004","26.7217","0.0013","90","","90","","90","","1803.06","0.15","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T