# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-04-14T23:56:07+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 41/a c d :2' 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
"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",""
"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",""
"1507890","27.605","0.0009","27.605","0.0009","32.428","0.0013","90","","90","","90","","24711.3","1.5","295","2","295","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- C65.5 H67.5 O12 -","- C64 H64 O12 -","- C1024 H1024 O192 -","16","0.5","","AlHujran, Tayel A.; Dawe, Louise N.; Georghiou, Paris E.","Synthesis of functionalized acenaphthenes and a new class of homooxacalixarenes.","Organic letters","2012","14","13","3530","3533","10.1021/ol301538s","","","0.71075","MoKα","","0.1274","0.0904","","","0.2149","0.2371","","","","","","1.16","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508487","15.7896","0.0009","15.7896","0.0009","20.8659","0.0014","90","","90","","90","","5202.1","0.5","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Ce10 O Se14 -","- Ce10 O Se14 -","- Ce80 O8 Se112 -","8","0.25","","Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas","The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd","Crystals","2012","2","3","1136","1145","10.3390/cryst2031136","","","0.71069","MoKα","","0.0661","0.0337","","","0.0506","0.0572","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508488","15.9204","0.0009","15.9204","0.0009","21.0648","0.0014","90","","90","","90","","5339.1","0.6","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- La10 O Se14 -","- La10 O Se14 -","- La80 O8 Se112 -","8","0.25","","Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas","The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd","Crystals","2012","2","3","1136","1145","10.3390/cryst2031136","","","0.71069","MoKα","","0.0692","0.0381","","","0.0709","0.0784","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508489","15.5983","0.0008","15.5983","0.0008","20.6291","0.0012","90","","90","","90","","5019.2","0.5","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Nd10 O Se14 -","- Nd10 O Se14 -","- Nd80 O8 Se112 -","8","0.25","","Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas","The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd","Crystals","2012","2","3","1136","1145","10.3390/cryst2031136","","","0.71069","MoKα","","0.049","0.0377","","","0.0892","0.0957","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508490","15.6874","0.0008","15.6874","0.0008","20.7342","0.0013","90","","90","","90","","5102.6","0.5","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- O Pr10 Se14 -","- O Pr10 Se14 -","- O8 Pr80 Se112 -","8","0.25","","Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas","The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd","Crystals","2012","2","3","1136","1145","10.3390/cryst2031136","","","0.71069","MoKα","","0.0518","0.0317","","","0.0615","0.0674","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508772","17.6875","0.0004","17.6875","0.0004","26.5075","0.0007","90","","90","","90","","8292.8","0.3","223","2","223","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H22 N4 O4 -","- C20 H22 N4 O4 -","- C320 H352 N64 O64 -","16","0.5","","Müller, Christian H; Fröhlich, Roland; Daniliuc, Constantin G.; Hennecke, Ulrich","Efficient Synthesis of Chiral 2,2'-Bipyrrolidines by an anti-Selective Alkene Diamination.","Organic letters","2012","14","23","5944","5947","10.1021/ol302855z","","","0.71073","MoKα","","0.0988","0.0693","","","0.1905","0.2111","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509431","7.7757","","7.7757","","42.587","","90","","90","","90","","2574.87","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ag La Nb2 O7 -","- Ag La Nb2 O7 -","- Ag16 La16 Nb32 O112 -","16","0.5","","Watanabe, J.; Uematsu, K.; Sato, M.","Crystal structure and ionic conductivity of a layered perovskite, AgLaNb2O7","Journal of Solid State Chemistry","1993","107","","460","470","10.1006/jssc.1993.1370","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510648","7.27","","7.27","","35.737","","90","","90","","90","","1888.8","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Cs2 (B2 S4)","","- B2 Cs2 S4 -","- B2 Cs2 S4 -","- B16 Cs16 S32 -","8","0.25","","Puettmann, C.; Kueper, J.; Krebs, B.; Jansen, C.; Hammerschmidt, A.","Cs2 B2 S4 - Ein Salz der dimeren Metathioborsaeure","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1330","1337","10.1002/zaac.19956210810","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511163","8.5369","","8.5369","","21.05688","","90","","90","","90","","1534.6","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Ga8 Ir4 B","","- B Ga8 Ir4 -","- B Ga8 Ir4 -","- B8 Ga64 Ir32 -","8","0.25","","Kluenter, W.; Jung, W.","Ga8 Ir4 B - ein Gallium-Iridiumborid mit isolierten, annaehernd quadratisch planaren (Ir4 B)-Gruppen in einer vom (Ca F2)-Typ abgeleiteten Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","197","200","10.1002/zaac.19956210206","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511374","15.128","","15.128","","27.955","","90","","90","","90","","6397.68","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Na5.88 B10 Se18","","- B10 Na5.88 Se18 -","- B10 Na5.878 Se18 -","- B80 Na47.024 Se144 -","8","0.25","","Lindemann, A.; Doech, M.; Hammerschmidt, A.; Krebs, B.","Na6 B10 Se18: a novel selenoborate with a 3D polymeric anion structure","Solid State Sciences","2002","4","","1449","1455","10.1016/S1293-2558(02)00035-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511375","14.415","","14.415","","26.137","","90","","90","","90","","5431.06","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Na6 (B10 S18)","","- B10 Na6 S18 -","- B10 Na6 S18 -","- B80 Na48 S144 -","8","0.25","","Krebs, B.; Hiltmann, F.; Hammerschmidt, A.; zum Hecht, P.","Darstellung und Kristallstrukturen von Li(4-2x) Sr(2+x) B10 S19 (x = 0,27) und Na6 B10 S18. Zwei neue Thioborate mit hochpolymeren Makrotetraeder-Nertzwerken","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","76","84","10.1002/zaac.19966220112","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511393","11.2108","","11.2108","","22.115","","90","","90","","90","","2779.46","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Ti5 B12 O26","","- B12 O26 Ti5 -","- B12 O26 Ti5 -","- B96 O208 Ti40 -","8","0.25","","Huppertz, H.; Haberer, A.","High-pressure synthesis and crystal structure of the mixed-valent titanium borate Ti5 B12 O26","Journal of Solid State Chemistry","2009","182","","484","490","10.1016/j.jssc.2008.11.022","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511476","7.419","","7.419","","14.955","","90","","90","","90","","823.147","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Lu Ru4 B4","","- B4 Lu Ru4 -","- B4 Lu Ru4 -","- B32 Lu8 Ru32 -","8","0.25","","Johnston, D.C.","Superconductivity in a new ternary structure class of boride compounds","Solid State Communications","1977","24","","699","702","10.1016/0038-1098(77)90078-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511512","7.459","","7.459","","14.986","","90","","90","","90","","833.771","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","U Ru4 B4","","- B4 Ru4 U -","- B4 Ru4 U -","- B32 Ru32 U8 -","8","0.25","","Rogl, P.","The crystal structure of La Ir4 B4, Th Os4 B4, Th Ir4 B4 ( Nd Co4 B4 - type ) and U Ru4 B4, U Os4 B4 ( Lu Ru4 B4 - type)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1980","111","","517","527","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514958","23.2637","0.0017","23.2637","0.0017","62.003","0.009","90","","90","","90","","33556","6","153","2","153","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C48 H46 Br2 N4 O2 -","- C48 H46 Br2 N4 O2 -","- C1536 H1472 Br64 N128 O64 -","32","1","","Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis and oxidation of cyclic tetraindole","Chemical Science","2012","3","2","524","","10.1039/c1sc00665g","","","0.71073","MoKα","","0.1219","0.0762","","","0.1763","0.2003","","","","","","1.124","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515578","24.217","0.003","24.217","0.003","44.518","0.009","90","","90","","90","","26108","7","253","2","253","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C62 H46 Cl4 Fe2 N13 O17.5 -","- C62 H40 Cl4 Fe2 N13 O17.5 -","- C992 H640 Cl64 Fe32 N208 O280 -","16","0.5","","Liu, Peng; Liu, Yungen; Wong, Ella Lai-Ming; Xiang, Song; Che, Chi-Ming","Iron oligopyridine complexes as efficient catalysts for practical oxidation of arenes, alkanes, tertiary amines and N-acyl cyclic amines with Oxone","Chemical Science","2011","2","11","2187","","10.1039/c1sc00234a","","","0.71073","MoKα","","0.1108","0.0588","","","0.1672","0.1925","","","","","","0.909","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517298","15.2355","0.0008","15.2355","0.0008","39.1054","0.0019","90","","90","","90","","9077.2","0.8","123","2","123","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C384 H352 N64 O64 Zn16 -","16","0.5","","He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks","Chem. Sci.","2014","5","12","4755","","10.1039/C4SC01505C","","","0.71073","MoKα","","0.0486","0.0382","","","0.1055","0.1135","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521056","9.979","","9.979","","19.644","","90","","90","","90","","1956.16","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Zn (N H2)2","","- H4 N2 Zn -","- H4 N2 Zn -","- H128 N64 Zn32 -","32","1","","Froehling, B.; Kreiner, G.; Jacobs, H.","Synthese und Kristallstruktur von Mangan(II)- und Zinkamid, Mn (N H2)2 und Zn (N H2)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","211","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521057","10.185","","10.185","","20.349","","90","","90","","90","","2110.89","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Mn (N H2)2","","- H4 Mn N2 -","- H4 Mn N2 -","- H128 Mn32 N64 -","32","1","","Froehling, B.; Kreiner, G.; Jacobs, H.","Synthese und Kristallstruktur von Mangan(II)- und Zinkamid, Mn (N H2)2 und Zn (N H2)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","211","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521140","6.778","","6.778","","12.74","","90","","90","","90","","585.292","","","","","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","Na2 C2","","- C2 Na2 -","- C2 Na2 -","- C16 Na16 -","8","0.25","","Hemmersbach, S.; Zibrowius, B.; Ruschewitz, U.","Na2 C2 und K2 C2: Synthese, Kristallstruktur und spektroskopische Eigenschaften","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1440","1446","","","","","","","","","","","","","","","","","","","","","","has coordinates","140796","2020-10-21","18:00:00",""
"1521141","7.569","","7.569","","14.521","","90","","90","","90","","831.905","","","","","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","K2 C2","","- C2 K2 -","- C2 K2 -","- C16 K16 -","8","0.25","","Hemmersbach, S.; Zibrowius, B.; Ruschewitz, U.","Na2 C2 und K2 C2: Synthese, Kristallstruktur und spektroskopische Eigenschaften","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1440","1446","","","","","","","","","","","","","","","","","","","","","","has coordinates","140798","2020-10-21","18:00:00",""
"1521811","5.489","","5.489","","25.67","","90","","90","","90","","773.415","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","Sr2 (Ru0.4 Ir0.6) O4","","- Ir0.6 O4 Ru0.4 Sr2 -","- Ir0.6 O4 Ru0.4 Sr2 -","- Ir4.8 O32 Ru3.2 Sr16 -","8","0.25","","Rama Rao, M.V.; Sathe, V.G.; Shripathi, T.; Sornadurai, D.; Panigrahi, B.","Metal to insulator transition in Sr2 Ru1-x Irx O4","Journal of Physics and Chemistry of Solids","2000","61","","1989","1999","","","","","","","","","","","","","","","","","","","","","","has coordinates","142027","2020-10-21","18:00:00",""
"1521812","5.493","","5.493","","25.77699","","90","","90","","90","","777.77","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Sr2 (Ir O4)","","- Ir O4 Sr2 -","- Ir O4 Sr2 -","- Ir8 O32 Sr16 -","8","0.25","","Rama Rao, M.V.; Sathe, V.G.; Sornadurai, D.; Panigrahi, B.; Shripathi, T.","Metal to insulator transition in Sr2 Ru1-x Irx O4","Journal of Physics and Chemistry of Solids","2000","61","","1989","1999","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523374","15.1","","15.1","","20.05","","90","","90","","90","","4571.6","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Pr10 O S14","","- O Pr10 S14 -","- O Pr10 S14 -","- O8 Pr80 S112 -","8","0.25","","Carre, D.; Laruelle, P.; Besancon, P.","Structure cristalline de la pretendue variete beta des sulfures de terres rares de composition Pr10 S14 O","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1970","270","","537","539","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524786","9.431","","9.431","","37.774","","90","","90","","90","","3359.76","","","","","","","","","","","","Wessels mine, near Hotazel, South Africa","5","I 41/a c d :2","-I 4bd 2c","142","","Ca Mn11.62 Fe2.38 Si O24","Braunite","- Ca Fe2.38 Mn11.62 O24 Si -","- Ca Fe2.38 Mn11.62 O24 Si -","- Ca8 Fe19.04 Mn92.96 O192 Si8 -","8","0.25","","de Villiers, J.P.R.","The crystal structure of Braunite II and its relation to Bixbyite and Braunite","American Mineralogist","1980","65","","756","765","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:53",""
"1526049","5.3195","","5.3195","","25.1734","","90","","90","","90","","712.334","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","(Ca1.5 Sr0.5) (Ru O4)","","- Ca1.5 O4 Ru Sr0.5 -","- Ca1.5 O4 Ru Sr0.5 -","- Ca12 O32 Ru8 Sr4 -","8","0.25","","Friedt, O.; Nakatsuji, S.; Braden, M.; Adelmann, P.; Andre, G.; Maeno, Y.","Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","1744321","17443210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526854","10.595","","10.595","","18.036","","90","","90","","90","","2024.61","","","","","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- Be Cl2 -","- Be Cl2 -","- Be32 Cl64 -","32","1","","Troyanov, S.I.","Crystal modifications of beryllium dihalides Be Cl2, Be Br2 and Be I2","Zhurnal Neorganicheskoi Khimii","2000","45","","1619","1624","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526855","12.19","","12.19","","21.325","","90","","90","","90","","3168.81","","","","","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- Be I2 -","- Be I2 -","- Be32 I64 -","32","1","","Troyanov, S.I.","Crystal modifications of beryllium dihalides Be Cl2, Be Br2 and Be I2","Zhurnal Neorganicheskoi Khimii","2000","45","","1619","1624","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527047","9.42","","9.42","","18.61809","","90","","90","","90","","1652.1","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","(Cu0.165 Mn6.835) Si O12","","- Cu0.165 Mn6.835 O12 Si -","- Cu0.165 Mn6.835 O12 Si -","- Cu1.32 Mn54.68 O96 Si8 -","8","0.25","","Zotov, N.; Boysen, H.; Miletich, R.; Tietze, H.; Kockelmann, W.","Copper substitution in (Cu, Mn)7 O12 braunite: a combined neutron and X-ray powder diffraction study","Materials Science Forum","2000","321","","791","795","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527048","9.4247","","9.4247","","18.66879","","90","","90","","90","","1658.26","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","(Cu0.046 Mn6.954) Si O12","","- Cu0.046 Mn6.954 O12 Si -","- Cu0.046 Mn6.954 O12 Si -","- Cu0.368 Mn55.632 O96 Si8 -","8","0.25","","Zotov, N.; Miletich, R.; Kockelmann, W.; Boysen, H.; Tietze, H.","Copper substitution in (Cu, Mn)7 O12 braunite: a combined neutron and X-ray powder diffraction study","Materials Science Forum","2000","321","","791","795","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527299","9.65","","9.65","","29.64","","90","","90","","90","","2760.15","","","","","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- B20 H16 -","- B20 H16 -","- B160 H128 -","8","0.25","","Dobrott, R.D.; Friedman, L.B.; Lipscomb, W.N.","Molecular and crystal structure of B20 H16","Journal of Chemical Physics","1964","40","","866","872","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527577","10.37","","10.37","","20.15","","90","","90","","90","","2166.87","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Mg (N H2)2","","- H4 Mg N2 -","- H4 Mg N2 -","- H128 Mg32 N64 -","32","1","","Jacobs, H.","Die Kristallstruktur des Magnesiumamids","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","382","","97","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528568","15.429","","15.429","","25.09","","90","","90","","90","","5972.78","","","","","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","Hg (S C4 O2 N (C H3)2)2","","- C12 H12 Hg N2 O4 S2 -","- C12 H12 Hg N2 O4 S2 -","- C192 H192 Hg16 N32 O64 S32 -","16","0.5","","Heinl, U.; Hinse, P.; Froehlich, R.; Mattes, R.","Monomere und polymere Dimethylaminothioquadrato-Komplexe: Die Kristallstrukturen von Nickel(II)-, Cobalt(II)-, Silber(I)-, Platin(II)-, Gold(I)- Quecksilber(II)- und Blei(II)-Dimethylaminothioquadraten","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","770","778","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529633","15.36","","15.36","","20.41","","90","","90","","90","","4815.32","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","La10 S14 O0.45 S0.55","","- La10 O0.45 S14.55 -","- La10 O0.45 S14.55 -","- La80 O3.6 S116.4 -","8","0.25","","Besancon, P.","Teneur en oxygene et formule exacte d'une famile de composes habituellement appeles - variete beta - ou - phase complexe des sulfures de terres rares","Journal of Solid State Chemistry","1973","7","","232","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","154110","2020-10-21","18:00:00",""
"1530540","10.79","","10.79","","19.181","","90","","90","","90","","2233.13","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Sm P S4","","- P S4 Sm -","- P S4 Sm -","- P16 S64 Sm16 -","16","0.5","","Palkina, K.K.; Kuvshinova, T.B.; Chibiskova, N.T.; Maksimova, S.I.; Volodina, A.N.","Synthesis and structure of Samarium tetrathiomonophosphate","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1984","20","","1557","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531706","6.7572","","6.7572","","12.7015","","90","","90","","90","","579.947","","","","","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","Na2 C2","","- C2 Na2 -","- C2 Na2 -","- C16 Na16 -","8","0.25","","Kloess, K.H.; Hinz-Huebner, D.; Ruschewitz, U.","Ueber eine neue Modifikation des Na2 C2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2701","2704","","","","","","","","","","","","","","","","","","","","","","has coordinates","157249","2020-10-21","18:00:00",""
"1534467","10.709","","10.709","","19.102","","90","","90","","90","","2190.67","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Gd (P S4)","","- Gd P S4 -","- Gd P S4 -","- Gd16 P16 S64 -","16","0.5","","LeBret, G.C.; McCoy, H.C.; Kittelstved, K.R.; Twamley, B.; Cleary, D.A.","Single crystal and far IR analysis of some lanthanide thiophosphates","Inorganica Chimica Acta","2003","343","","141","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534470","10.7305","","10.7305","","19.111","","90","","90","","90","","2200.51","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Dy (P S4)","","- Dy P S4 -","- Dy P S4 -","- Dy16 P16 S64 -","16","0.5","","LeBret, G.C.; McCoy, H.C.; Kittelstved, K.R.; Cleary, D.A.; Twamley, B.","Single crystal and far IR analysis of some lanthanide thiophosphates","Inorganica Chimica Acta","2003","343","","141","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534473","10.611","","10.611","","18.947","","90","","90","","90","","2133.31","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Er (P S4)","","- Er P S4 -","- Er P S4 -","- Er16 P16 S64 -","16","0.5","","LeBret, G.C.; Cleary, D.A.; McCoy, H.C.; Kittelstved, K.R.; Twamley, B.","Single crystal and far IR analysis of some lanthanide thiophosphates","Inorganica Chimica Acta","2003","343","","141","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534852","15.92","","15.92","","13.15","","90","","90","","90","","3332.82","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","K0.38 (Ta P S6)","","- K0.38 P S6 Ta -","- K0.38 P S6 Ta -","- K6.08 P16 S96 Ta16 -","16","0.5","","Gutzmann, A.; Naether, C.; Bensch, W.","Synthesis, crystal structure and vibrational properties of K0.38 Ta P S6 and Rb0.46 Ta P S6: chemical intercalation and deintercalation of the ternary Ta P S6 phase","Solid State Sciences","2004","6","","1155","1162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536103","6.3096","","6.3096","","22.77","","90","","90","","90","","906.498","","","","","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- Ir Sn4 -","- Ir Sn4 -","- Ir8 Sn32 -","8","0.25","","Nordmark, E.L.; Wallner, O.; Haeussermann, U.","Polymorphism of Ir Sn4","Journal of Solid State Chemistry","2002","168","","34","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536200","6.4906","","6.4906","","24.353","","90","","90","","90","","1025.94","","","","","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- Pd16 Sn32 -","- Pd16 Sn32 -","- Pd16 Sn32 -","1","0.03125","","Nylen, J.; Garcia-Garcia, F.J.; Mosel, B.D.; Poettgen, R.; Haeussermann, U.","Structural relationships, phase stability and bonding of compounds Pd Sn(n) (n= 2,3,4)","Solid State Sciences","2004","6","","147","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536645","15.3255","","15.3255","","20.7565","","90","","90","","90","","4875.1","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Ca14 Mn P11 -","- Ca14 Mn P11 -","- Ca112 Mn8 P88 -","8","0.25","","Kim, H.; Kauzlarich, S.M.","Structure and magnetic properties of Ca14MnP11","Journal of Solid State Chemistry","2005","178","","1935","1939","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536859","10.6572","","10.6572","","18.9923","","90","","90","","90","","2157.07","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Y (P S4)","","- P S4 Y -","- P S4 Y -","- P16 S64 Y16 -","16","0.5","","Komm, T.; Schleid, T.","Y (P S4): An unusual A B X4 compoumd with a Pt S-related crystal structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1544","1546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537082","13.677","","13.677","","13.691","","90","","90","","90","","2561.04","","","","","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","Cs0.81 Na0.12 (Al0.81 Si2.19 O6) (H2 O)0.23","","- Cs0.81 O0.23 -","- Cs0.81 O0.23 -","- Cs12.96 O3.68 -","16","0.5","","Frank-Kamenetskaya, O.V.; Rozhdestvenskaya, I.V.; Bannova, I.I.; Gordienko, V.V.; Kaminskaya, T.N.; Kostitsyna, A.V.","Dissymmetrization of crystal structures of sodium pollucites","Kristallografiya","1995","40","","698","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","165084","2020-10-21","18:00:00",""
"1537281","27.5965","","27.5965","","38.2572","","90","","90","","90","","29135.4","","","","","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","Na7 Mn4 Fe6 ((Mo2 O4)3 (H P O4)2 (P O4)2 (O H)3)4 (P O4) (H2 O)40","","- Fe6 Mn4 Mo24 Na7 O164 P17 -","- Fe6 Mn4 Mo24 Na7 O164 P17 -","- Fe48 Mn32 Mo192 Na56 O1312 P136 -","8","0.25","","du Peloux, C.; Mialane, P.; Dolbecq, A.; Marrot, J.; Varret, F.; Secheresse, F.","Three-dimensional Mn/Fe molybdenum(V) phosphates","Solid State Sciences","2004","6","","719","724","","","","","","","","","","","","","","","","","","","","","","has coordinates","165331","2020-10-21","18:00:00",""
"1537563","10.3501","","10.3501","","20.4296","","90","","90","","90","","2188.51","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","(Mg (H2 O)6) (H2 P O2)2","","- H16 Mg O10 P2 -","- H16 Mg O10 P2 -","- H128 Mg8 O80 P16 -","8","0.25","","Kuratieva, N.V.; Naumova, M.I.; Podberezskaya, N.V.; Naumov, D.Yu.","The synthesis and crystal structure of two polymorphs of hexaaquamagnesium(II) hypophosphite","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","296","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539415","12.713","","12.713","","12.7153","","90","","90","","90","","2055.05","","","","","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","Ca2.4 Ce0.6 Zr2 Fe2.9 O12","","- Ca2.4 Ce0.6 Fe2.9 O12 Zr2 -","- Ca2.36 Ce0.64 Fe2.92 O12 Zr2 -","- Ca18.88 Ce5.12 Fe23.36 O96 Zr16 -","8","0.25","","Urusov, V.S.; Rusakov, V.S.; Kabalov, Yu.K.; Yudintsev, S.V.","Tetragonalization of ferrigarnets (Ca3-x Ax) (Zr2-y Fey) Fe2 O12 by moessbauer spectroscopy and Ritveld method data","Doklady Akad. Nauk","2004","399","","609","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","168324","2020-10-21","18:00:00",""
"1539417","12.7546","","12.7546","","12.7588","","90","","90","","90","","2075.6","","","","","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","Ca2.4 Th0.6 Zr2 Fe2.9 O12","","- Ca2.4 Fe2.9 O12 Th0.6 Zr2 -","- Ca2.39 Fe2.96 O12 Th0.61 Zr1.98 -","- Ca19.12 Fe23.68 O96 Th4.88 Zr15.84 -","8","0.25","","Urusov, V.S.; Rusakov, V.S.; Kabalov, Yu.K.; Yudintsev, S.V.","Tetragonalization of ferrigarnets (Ca3-x Ax) (Zr2-y Fey) Fe2 O12 by moessbauer spectroscopy and Ritveld method data","Doklady Akad. Nauk","2004","399","","609","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","168328","2020-10-21","18:00:00",""
"1540827","10.84","","10.84","","19.26","","90","","90","","90","","2263.16","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Nd (P S4)","","- Nd P S4 -","- Nd P S4 -","- Nd16 P16 S64 -","16","0.5","","Volodina, A.N.; Kuvshinova, T.B.; Maksimova, S.I.; Chibiskova, N.T.; Murav'ev, E.N.; Niyazov, S.A.; Orlovskii, V.P.; Palkina, K.K.","The preparation, structure, and optical properties of Nd P S4","Zhurnal Neorganicheskoi Khimii","1987","32","","2899","2901","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541674","22.532","","22.532","","39.954","","90","","90","","90","","20284.3","","","","","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","(Ga3.33 Ge0.67 S8) (C6 H15 N3)0.083 (H2 O)0.25","","- Ga3.332 Ge0.668 N0.251 O0.25 S8 -","- Ga3.332 Ge0.668 N0.251 O0.25 S8 -","- Ga106.624 Ge21.376 N8.032 O8 S256 -","32","1","","Zheng Nanfeng; Wang Bing; Bu Xianhui; Feng Pingyun","Microporous and photoluminescent chalcogenide zeolite analogs","Science","2002","298","","2366","2369","","","","","","","","","","","","","","","","","","","","","","has coordinates","173085","2020-10-21","18:00:00",""
"1541734","9.45","","9.45","","18.84","","90","","90","","90","","1682.46","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","Ca Mn6 Si O12","","- Ca Mn6 O12 Si -","- Ca Mn6 O12 Si -","- Ca8 Mn48 O96 Si8 -","8","0.25","","Damon, J.L.; Permingeat, F.; Protas, J.","Etude structurale du compose Ca Mn6 Si O12","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1966","262","","1671","1674","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541762","22.935","","22.935","","40.985","","90","","90","","90","","21558.7","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","(Ga2.13 Sn1.87 S8) (C6 H15 N3) (H2 O)0.25","","- Ga2.079 O0.25 S8 Sn1.921 -","- Ga2.079 O0.25 S8 Sn1.921 -","- Ga66.528 O8 S256 Sn61.472 -","32","1","","Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun","Microporous and photoluminescent chalcogenide zeolite analogs","Science","2002","298","","2366","2369","","","","","","","","","","","","","","","","","","","","","","has coordinates","173238","2020-10-21","18:00:00",""
"1541764","22.9078","","22.9078","","41.49","","90","","90","","90","","21772.6","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","(In2.69 Ge1.31 S8) (C6 H15 N3) (H2 O)0.25","","- Ge1.317 In2.683 O0.25 S8 -","- Ge1.317 In2.683 O0.25 S8 -","- Ge42.144 In85.856 O8 S256 -","32","1","","Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun","Microporous and photoluminescent chalcogenide zeolite analogs","Science","2002","298","","2366","2369","","","","","","","","","","","","","","","","","","","","","","has coordinates","173240","2020-10-21","18:00:00",""
"1541765","22.813","","22.813","","41.331","","90","","90","","90","","21510","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","(In2.58 Ge1.42 S8) (C6 H15 N3) (H2 O)0.25","","- Ge1.417 In2.583 O0.25 S8 -","- Ge1.417 In2.583 O0.25 S8 -","- Ge45.344 In82.656 O8 S256 -","32","1","","Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun","Microporous and photoluminescent chalcogenide zeolite analogs","Science","2002","298","","2366","2369","","","","","","","","","","","","","","","","","","","","","","has coordinates","173242","2020-10-21","18:00:00",""
"1541770","23.841","","23.841","","42.555","","90","","90","","90","","24188","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","(Ga1.73 Sn2.27 Se8) (C10 H24 N2 O3)0.083","","- Ga1.72 O0.25 Se8 Sn2.28 -","- Ga1.72 O0.25 Se8 Sn2.28 -","- Ga55.04 O8 Se256 Sn72.96 -","32","1","","Zheng Nanfeng; Bu Xianhui; Feng Pingyun; Wang Bing","Microporous and photoluminescent chalcogenide zeolite analogs","Science","2002","298","","2366","2369","","","","","","","","","","","","","","","","","","","","","","has coordinates","173247","2020-10-21","18:00:00",""
"1556727","30.11","0.007","30.11","0.007","15.878","0.005","90","","90","","90","","14395","7","100","","100","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C56 Au4 Cl8 Pt2 S8 -","- C56 Au4 Cl8 Pt2 S8 -","- C448 Au32 Cl64 Pt16 S64 -","8","0.25","","Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi","Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters","Materials Horizons","2020","7","3","796","803","10.1039/C9MH01691K","","x-ray","0.71073","MoKα","","0.148","0.1038","","","0.3015","0.3552","","","","","","1.098","","","","has coordinates","258158","2020-10-21","18:00:00",""
"1558415","13.3697","0.0003","13.3697","0.0003","23.8975","0.0008","90","","90","","90","","4271.7","0.2","99.99","0.13","99.99","0.13","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H8 F12 Sn -","- C24 H8 F12 Sn -","- C192 H64 F96 Sn8 -","8","0.25","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.0275","0.0247","","","0.0713","0.0731","","","","","","1.109","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1558416","14.40851","0.00016","14.40851","0.00016","20.9644","0.0004","90","","90","","90","","4352.32","0.11","100","0.11","100","0.11","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H8 F12 Ge -","- C24 H8 F12 Ge -","- C192 H64 F96 Ge8 -","8","0.25","","Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan","Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations","Chemical Science","2020","","","","","10.1039/D0SC02551H","","x-ray","0.71073","MoKα","","0.032","0.0274","","","0.0655","0.0676","","","","","","1.085","","","","has coordinates","253462","2020-10-21","18:00:00",""
"1559664","12.0065","0.0003","12.0065","0.0003","23.9165","0.0007","90","","90","","90","","3447.71","0.16","150","2","150","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- In Li3 P2 -","- In Li3 P2 -","- In32 Li96 P64 -","32","1","","Restle, Tassilo M. F.; Deringer, Volker L.; Meyer, Jan; Raudaschl-Sieber, Gabriele; Fässler, Thomas F","Supertetrahedral polyanionic network in the first lithium phosphidoindate Li<sub>3</sub>InP<sub>2</sub> - structural similarity to Li<sub>2</sub>SiP<sub>2</sub> and Li<sub>2</sub>GeP<sub>2</sub> and dissimilarity to Li<sub>3</sub>AlP<sub>2</sub> and Li<sub>3</sub>GaP<sub>2</sub>.","Chemical science","2020","12","4","1278","1285","10.1039/d0sc05851c","","","0.71073","MoKα","","0.0212","0.0143","","","0.0302","0.0316","","","","","","1.023","","","","has coordinates","267067","2021-07-05","16:50:22",""
"1560796","12.45181","0.00009","12.45181","","8.41844","0.00007","90","","90","","90","","1305.26","0.014","298","2","298","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ba Co2 O8 V2 -","- Ba Co2 O8 V2 -","- Ba8 Co16 O64 V16 -","8","0.25","","Zhuravlev, V.D.; Kellerman, D.G.; Tyutyunnik, A.P.; Chufarov, A.Yu.; Samigullina, R.F.","Synthesis, structure and magnetic properties of new γ-Ba(CoV1-xPxO4)2 x = 0.4‒0.5","Journal of Solid State Chemistry","2018","266","","174","180","10.1016/j.jssc.2018.07.017","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.0611","","1.14","","","","","","","has coordinates","262397","2021-03-03","10:35:46",""
"1561371","16.591","0.0011","16.591","0.0011","21.9197","0.0014","90","","90","","90","","6033.6","0.7","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn Sb11 Y0.13 Yb13.87 -","- Mn Sb11 Y0.132 Yb13.868 -","- Mn8 Sb88 Y1.056 Yb110.944 -","8","0.25","","Grebenkemper, Jason H.; Klemenz, Sebastian; Albert, Barbara; Bux, Sabah K.; Kauzlarich, Susan M.","Effects of Sc and Y substitution on the structure and thermoelectric properties of Yb14MnSb11","Journal of Solid State Chemistry","2016","242","","55","61","10.1016/j.jssc.2016.03.015","","","0.71073","MoKα","","0.0249","0.0244","","","0.0536","0.0538","","","","","","1.355","","","","has coordinates","263448","2021-03-30","09:31:13",""
"1561372","16.5903","0.0008","16.5903","0.0008","21.9416","0.001","90","","90","","90","","6039.2","0.5","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn Sb11 Y0.53 Yb13.47 -","- Mn Sb11 Y0.526 Yb13.474 -","- Mn8 Sb88 Y4.208 Yb107.792 -","8","0.25","","Grebenkemper, Jason H.; Klemenz, Sebastian; Albert, Barbara; Bux, Sabah K.; Kauzlarich, Susan M.","Effects of Sc and Y substitution on the structure and thermoelectric properties of Yb14MnSb11","Journal of Solid State Chemistry","2016","242","","55","61","10.1016/j.jssc.2016.03.015","","","0.71073","MoKα","","0.0202","0.0197","","","0.0411","0.0413","","","","","","1.425","","","","has coordinates","263449","2021-03-30","09:31:28",""
"1561373","16.5624","0.0005","16.5624","0.0005","21.9118","0.0007","90","","90","","90","","6010.7","0.3","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn Sb11 Sc0.37 Yb13.63 -","- Mn Sb11 Sc0.366 Yb13.634 -","- Mn8 Sb88 Sc2.928 Yb109.072 -","8","0.25","","Grebenkemper, Jason H.; Klemenz, Sebastian; Albert, Barbara; Bux, Sabah K.; Kauzlarich, Susan M.","Effects of Sc and Y substitution on the structure and thermoelectric properties of Yb14MnSb11","Journal of Solid State Chemistry","2016","242","","55","61","10.1016/j.jssc.2016.03.015","","","0.71073","MoKα","","0.0346","0.0259","","","0.0543","0.0571","","","","","","1.097","","","","has coordinates","263450","2021-03-30","09:31:55",""
"1561537","16.5833","0.001","16.5833","0.001","21.9115","0.0014","90","","90","","90","","6025.8","0.6","90","","90","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Dy0.21 Mn Sb11 Yb13.79 -","- Mn Sb11 Yb14 -","- Mn8 Sb88 Yb112 -","8","0.25","","Grebenkemper, Jason H.; Hu, Yufei; Abdusalyamova, M.N.; Makhmudov, F.A.; Kauzlarich, Susan M.","Magnetic remanence in Yb14−RE MnSb11 (RE=Tb, Dy, Ho) single crystals","Journal of Solid State Chemistry","2016","238","","321","326","10.1016/j.jssc.2016.03.037","","","0.71073","MoKα","","0.0164","0.0159","","","0.0331","0.0333","","","","","","1.307","","","","has coordinates","263941","2021-04-07","07:53:03",""
"1561538","16.611","0.003","16.611","0.003","21.966","0.005","90","","90","","90","","6061","2","90","","90","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Dy0.48 Mn Sb11 Yb13.52 -","- Dy0.48 Mn Sb11 Yb13.52 -","- Dy3.84 Mn8 Sb88 Yb108.16 -","8","0.25","","Grebenkemper, Jason H.; Hu, Yufei; Abdusalyamova, M.N.; Makhmudov, F.A.; Kauzlarich, Susan M.","Magnetic remanence in Yb14−RE MnSb11 (RE=Tb, Dy, Ho) single crystals","Journal of Solid State Chemistry","2016","238","","321","326","10.1016/j.jssc.2016.03.037","","","0.71073","MoKα","","0.0248","0.0214","","","0.0413","0.0424","","","","","","1.122","","","","has coordinates","263942","2021-04-07","07:54:40",""
"1561539","16.5923","0.0012","16.5923","0.0012","21.916","0.0016","90","","90","","90","","6033.6","0.8","90","","90","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn Sb11 Tb0.17 Yb14 -","- Mn Sb11 Yb14 -","- Mn8 Sb88 Yb112 -","8","0.25","","Grebenkemper, Jason H.; Hu, Yufei; Abdusalyamova, M.N.; Makhmudov, F.A.; Kauzlarich, Susan M.","Magnetic remanence in Yb14−RE MnSb11 (RE=Tb, Dy, Ho) single crystals","Journal of Solid State Chemistry","2016","238","","321","326","10.1016/j.jssc.2016.03.037","","","0.71073","MoKα","","0.0175","0.0168","","","0.034","0.0342","","","","","","1.36","","","","has coordinates","263943","2021-04-07","07:56:01",""
"1561540","16.5997","0.0019","16.5997","0.0019","21.963","0.003","90","","90","","90","","6051.9","1.3","90","","90","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn Sb11 Tb0.4 Yb13.6 -","- Mn Sb11 Tb0.4 Yb13.6 -","- Mn8 Sb88 Tb3.2 Yb108.8 -","8","0.25","","Grebenkemper, Jason H.; Hu, Yufei; Abdusalyamova, M.N.; Makhmudov, F.A.; Kauzlarich, Susan M.","Magnetic remanence in Yb14−RE MnSb11 (RE=Tb, Dy, Ho) single crystals","Journal of Solid State Chemistry","2016","238","","321","326","10.1016/j.jssc.2016.03.037","","","0.71073","MoKα","","0.0175","0.0173","","","0.0354","0.0354","","","","","","1.486","","","","has coordinates","263944","2021-04-07","07:58:15",""
"1561541","16.5847","0.0006","16.5847","0.0006","21.9167","0.0008","90","","90","","90","","6028.2","0.4","90","","90","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ho0.17 Mn Sb11 Yb13.83 -","- Mn Sb11 Yb14 -","- Mn8 Sb88 Yb112 -","8","0.25","","Grebenkemper, Jason H.; Hu, Yufei; Abdusalyamova, M.N.; Makhmudov, F.A.; Kauzlarich, Susan M.","Magnetic remanence in Yb14−RE MnSb11 (RE=Tb, Dy, Ho) single crystals","Journal of Solid State Chemistry","2016","238","","321","326","10.1016/j.jssc.2016.03.037","","","0.71073","MoKα","","0.0196","0.0176","","","0.0347","0.0353","","","","","","1.169","","","","has coordinates","263945","2021-04-07","08:00:00",""
"1561542","16.5845","0.0006","16.5845","0.0006","21.9411","0.0008","90","","90","","90","","6034.8","0.4","90","","90","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ho0.49 Mn Sb11 Yb13.51 -","- Ho0.48 Mn Sb11 Yb13.52 -","- Ho3.84 Mn8 Sb88 Yb108.16 -","8","0.25","","Grebenkemper, Jason H.; Hu, Yufei; Abdusalyamova, M.N.; Makhmudov, F.A.; Kauzlarich, Susan M.","Magnetic remanence in Yb14−RE MnSb11 (RE=Tb, Dy, Ho) single crystals","Journal of Solid State Chemistry","2016","238","","321","326","10.1016/j.jssc.2016.03.037","","","0.71073","MoKα","","0.0197","0.0175","","","0.0317","0.0321","","","","","","1.189","","","","has coordinates","263946","2021-04-07","08:01:44",""
"1561651","16.2717","0.0006","16.2717","0.0006","21.6878","0.0009","90","","90","","90","","5742.2","0.4","200","2","200","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- As11 Eu14 Zn1.14 -","- As11 Eu14 Zn1.14 -","- As88 Eu112 Zn9.12 -","8","0.25","","Baranets, Sviatoslav; Darone, Gregory M.; Bobev, Svilen","Synthesis and structure of Sr14Zn1+As11 and Eu14Zn1+As11 (x ≤ 0.5). New members of the family of pnictides isotypic with Ca14AlSb11, exhibiting a new type of structural disorder","Journal of Solid State Chemistry","2019","280","","120990","","10.1016/j.jssc.2019.120990","","","0.71073","MoKα","","0.0363","0.0268","","","0.0553","0.0584","","","","","","1.083","","","","has coordinates","264049","2021-04-12","08:27:33",""
"1561652","16.5172","0.0019","16.5172","0.0019","22.193","0.003","90","","90","","90","","6054.6","1.3","200","2","200","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- As11 Sr14 Zn1.33 -","- As11 Sr14 Zn1.336 -","- As88 Sr112 Zn10.688 -","8","0.25","","Baranets, Sviatoslav; Darone, Gregory M.; Bobev, Svilen","Synthesis and structure of Sr14Zn1+As11 and Eu14Zn1+As11 (x ≤ 0.5). New members of the family of pnictides isotypic with Ca14AlSb11, exhibiting a new type of structural disorder","Journal of Solid State Chemistry","2019","280","","120990","","10.1016/j.jssc.2019.120990","","","0.71073","MoKα","","0.0696","0.0436","","","0.0978","0.1105","","","","","","1.066","","","","has coordinates","264049","2021-04-12","08:27:37",""
"1561653","16.514","0.004","16.514","0.004","22.366","0.006","90","","90","","90","","6099","3","200","2","200","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- As11 Sr14 Zn1.46 -","- As11 Sr14 Zn1.46 -","- As88 Sr112 Zn11.68 -","8","0.25","","Baranets, Sviatoslav; Darone, Gregory M.; Bobev, Svilen","Synthesis and structure of Sr14Zn1+As11 and Eu14Zn1+As11 (x ≤ 0.5). New members of the family of pnictides isotypic with Ca14AlSb11, exhibiting a new type of structural disorder","Journal of Solid State Chemistry","2019","280","","120990","","10.1016/j.jssc.2019.120990","","","0.71073","MoKα","","0.1447","0.0655","","","0.1145","0.1437","","","","","","1.018","","","","has coordinates","264049","2021-04-12","08:27:47",""
"1561654","16.5","0.0018","16.5","0.0018","22.039","0.003","90","","90","","90","","6000.1","1.2","200","2","200","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- As11 La0.7 Sr13.3 Zn -","- As11 La0.7 Sr13.3 Zn -","- As88 La5.6 Sr106.4 Zn8 -","8","0.25","","Baranets, Sviatoslav; Darone, Gregory M.; Bobev, Svilen","Synthesis and structure of Sr14Zn1+As11 and Eu14Zn1+As11 (x ≤ 0.5). New members of the family of pnictides isotypic with Ca14AlSb11, exhibiting a new type of structural disorder","Journal of Solid State Chemistry","2019","280","","120990","","10.1016/j.jssc.2019.120990","","","0.71073","MoKα","","0.084","0.049","","","0.0962","0.1098","","","","","","1.032","","","","has coordinates","264049","2021-04-12","08:27:50",""
"1566706","23.5571","0.0004","23.5571","0.0004","61.035","0.002","90","","90","","90","","33870.6","1.4","173","2","173","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- H66 Mo60 Na8 O187 -","- Mo60 Na8 O183 -","- Mo480 Na64 O1464 -","8","0.25","","Li, xuexin; Ji, Tuo; Gao, Jun-Yang; Chen, Wei-Chao; Yuan, Ye; Sha, Haoyan; Faller, Roland; Shan, Guo-Gang; Shao, Kui-Zhan; Wang, Xinlong; Su, Zhong-Min","An Unprecedented Fully Reduced {MoV60} Polyoxometalate: From All-Inorganic Molecular Light-Absorber Model to Improved Photoelectronic Performance","Chemical Science","2022","","","","","10.1039/D1SC06779F","","","1.54178","CuKα","","0.0606","0.0558","","","0.158","0.1628","","","","","","1.042","","","","has coordinates,has disorder","274009","2022-03-25","23:13:48",""
"1566987","20.3058","0.0005","20.3058","0.0005","24.3847","0.0007","90","","90","","90","","10054.4","0.5","200","2","200","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C12 H48 As8 N12 Ni2 O26 V6 -","- C12 H48 As8 N12 Ni2 O26 V6 -","- C96 H384 As64 N96 Ni16 O208 V48 -","8","0.25","","Kondinski, Aleksandar; Rasmussen, Maren; Mangelsen, Sebastian; Pienack, Nicole; Simjanoski, Viktor; Näther, Christian; Stares, Daniel L.; Schalley, Christoph A.; Bensch, Wolfgang","Composition-driven archetype dynamics in polyoxovanadates","Chemical Science","2022","","","","","10.1039/D2SC01004F","","","0.71073","MoKα","","0.0465","0.0396","","","0.0917","0.095","","","","","","1.198","","","","has coordinates","275461","2022-05-16","22:18:07",""
"1567486","32.0539","0.0006","32.0539","0.0006","56.6487","0.0017","90","","90","","90","","58204","2","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C224 H222 Dy12 N50 Na4 O94 -","- C224 H222 Dy12 N50 Na4 O94 -","- C1792 H1776 Dy96 N400 Na32 O752 -","8","0.25","","Li, Xiao-Lei; Zhao, Lang; Wu, Jianfeng; Shi, Wei; Struch, Niklas; Lützen, Arne; Powell, Annie K.; Cheng, Peng; Tang, Jinkui","Subcomponent self-assembly of circular helical Dy6(L)6 and bipyramid Dy12(L)8 architectures directed via second-order template effects","Chemical Science","2022","","","","","10.1039/D2SC03156F","","","0.71073","MoKα","","0.1725","0.0807","","","0.204","0.2833","","","","","","1.023","","","","has coordinates,has disorder","277260","2022-08-16","22:04:14",""
"1569005","13.669","0.0006","13.669","0.0006","51.32","0.003","90","","90","","90","","9588.7","0.8","173","","173","","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C12 H26 Br3 Cu2 N4 O6 P3 -","- C12 H26 Br3 Cu2 N4 O6 P3 -","- C192 H416 Br48 Cu32 N64 O96 P48 -","16","0.5","","Zhou, Shuigen; Chen, Yihao; Li, Kailei; Liu, Xiaowei; Zhang, Ting; Shen, Wei; Li, Ming; Zhou, Lei; He, Rongxing","Photophysical studies for Cu(i)-based halides: broad excitation bands and highly efficient single-component warm white-light-emitting diodes.","Chemical science","2023","14","20","5415","5424","10.1039/d3sc01762a","","x-ray","0.71073","MoKα","","0.0402","0.0323","","","0.0797","0.084","","","","","","1.077","","","","has coordinates","284227","2023-06-05","04:03:48",""
"1569651","35.3979","0.0008","35.3979","0.0008","67.034","0.003","90","","90","","90","","83994","5","290","2","290.56","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C352 H416 Bi24 O59 -","- C352 H416 Bi24 O59 -","- C2816 H3328 Bi192 O472 -","8","0.25","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO<sub>2</sub> electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","","1.54178","CuKα","","0.0895","0.0566","","","0.1608","0.1886","","","","","","1.043","","","","has coordinates","286048","2023-09-05","19:11:52",""
"1572861","21.398","0.003","21.398","0.003","53.967","0.014","90","","90","","90","","24710","8","80","2","80","2","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- C156 H188 -","- C156 H188 -","- C1248 H1504 -","8","0.25","","Kumar, Rakesh; Chmielewski, Piotr J.; Lis, Tadeusz; Czarnecki, Mirosław; Stępień, Marcin","Pentacosacyclenes: cruciform molecular nanocarbons based on cyclooctatetraene.","Chemical science","2024","15","44","18640","18649","10.1039/d4sc05938g","","x-ray","0.71073","MoKα","","0.1883","0.1132","","","0.2734","0.2976","","","","","","1.614","","","","has coordinates,has disorder","296350","2024-12-06","16:19:25",""
"2002353","12.4441","0.0006","12.4441","0.0006","8.4153","0.001","90","","90","","90","","1303.2","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","Barium dicobalt divanadium(V) oxide","","- Ba Co2 O8 V2 -","- Ba Co2 O8 V2 -","- Ba8 Co16 O64 V16 -","8","0.25","","Wichmann, R; Mueller-Buschbaum, Hk","Neue Verbindungen mit Sr Ni2 V2 O8-Struktur: Ba Co2 V2 O8 und Ba Mg2 V2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1986","534","","153","158","10.1002/zaac.19865340320","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002354","12.4189","0.0008","12.4189","0.0008","8.4657","0.0017","90","","90","","90","","1305.7","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","Barium dimagnesium divanadium(V)oxide","","- Ba Mg2 O8 V2 -","- Ba Mg2 O8 V2 -","- Ba8 Mg16 O64 V16 -","8","0.25","","Wichmann, R; Mueller-Buschbaum, Hk","Neue Verbindungen mit Sr Ni2 V2 O8-Struktur: Ba Co2 V2 O8 und Ba Mg2 V2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1986","534","","153","158","10.1002/zaac.19865340320","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005611","10.8997","0.0007","10.8997","0.0007","42.817","0.004","90","","90","","90","","5086.8","0.7","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","Beryllium tetrahydrogenorthoperiodate tetrahydrate","","- Be H16 I2 O16 -","- Be H16 I2 O16 -","- Be16 H256 I32 O256 -","16","0.5","DU1154","Zhang, Z.; Lutz, H. D.; Georgiev, M.; Maneva, M.","The First Beryllium Periodate: Be(H~4~IO~6~)~2~.4H~2~O","Acta Crystallographica Section C","1996","52","11","2660","2662","10.1107/S0108270196006762","","","0.7107","MoKα","","0.0331","0.0286","","0.087","0.0844","","","","1.344","1.379","1.379","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2012913","10.3406","0.0015","10.3406","0.0015","20.402","0.003","90","","90","","90","","2181.5","0.6","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","hexaaquacobalt(II) hypophosphite","hexaaquacobalt(II) bis(hypophosphite)","","- Co H16 O10 P2 -","- Co H16 O10 P2 -","- Co8 H128 O80 P16 -","8","0.25","AV1112","Kuratieva, Natalia V.; Naumova, Marina I.; Naumov, Dmitry Yu.","Hexaaquacobalt(II) bis(hypophosphite) and hexaaquacobalt(II)/nickel(II) bis(hypophosphite)","Acta Crystallographica Section C","2002","58","9","i129","i131","10.1107/S0108270102013094","","","0.71073","MoKα","","0.054","0.037","","","0.084","0.093","","","","","","0.918","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012914","10.3111","0.0013","10.3111","0.0013","20.346","0.003","90","","90","","90","","2163.2","0.5","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","hexaaquacobalt(II)/nickel(II) hypophosphite","hexaaquacobalt(II)/nickel(II) (0.5/0.5) bis(hypophosphite)","","- Co0.5 H16 Ni0.5 O10 P2 -","- Co0.5 H16 Ni0.5 O10 P2 -","- Co4 H128 Ni4 O80 P16 -","8","0.25","AV1112","Kuratieva, Natalia V.; Naumova, Marina I.; Naumov, Dmitry Yu.","Hexaaquacobalt(II) bis(hypophosphite) and hexaaquacobalt(II)/nickel(II) bis(hypophosphite)","Acta Crystallographica Section C","2002","58","9","i129","i131","10.1107/S0108270102013094","","","0.71073","MoKα","","0.033","0.021","","","0.067","0.073","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013448","13.6532","0.0003","13.6532","0.0003","52.696","0.002","90","","90","","90","","9823.1","0.5","120","1","120","1","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C34 H52 Cd4 Fe3 N27 -","- C34 H52 Cd4 Fe3 N27 -","- C272 H416 Cd32 Fe24 N216 -","8","0.25","GD1248","Miroslava Maľarová; Juraj Kuchár; Juraj Černák; Werner Massa","The three-dimensional coordination polymer tetraethylammonium (ethylenediamine)cadmium(II) hexacyanoferrate(III), (Et~4~N){[Cd(en)]~4~[Fe(CN)~6~]~3~}","Acta Crystallographica Section C","2003","59","7","m280","m282","10.1107/S0108270103010497","","","0.71073","MoKα","","0.027","0.0232","","","0.0622","0.0635","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014036","18.534","0.003","18.534","0.003","14.693","0.004","90","","90","","90","","5047.2","1.8","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","Tetrakis(pyridinium-2-thiolato)zinc(II) dinitrate","","- C20 H20 N6 O6 S4 Zn -","- C20 H20 N6 O6 S4 Zn -","- C160 H160 N48 O48 S32 Zn8 -","8","0.25","NA1653","Wen, Yi-Hang; Zhang, Jian; Cheng, Jian-Kai; Li, Zhao-Ji; Qin, Ye-Yan; Kang, Yao; Hu, Rui-Feng; Yao, Yuan-Gen","Tetrakis(pyridinium-2-thiolato)zinc(II) dinitrate","Acta Crystallographica Section C","2004","60","6","m248","m249","10.1107/S0108270104008042","","","0.71073","MoKα","","","0.0201","","","0.0545","0.0545","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018327","16.3418","0.0002","16.3418","0.0002","16.6448","0.0002","90","","90","","90","","4445.07","0.09","120","2","120","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","<i>trans</i>-bis(nitrito-κ<i>N</i>)tetrakis(pyridine-κ<i>N</i>)ruthenium(II) dihydrate","","- C20 H24 N6 O6 Ru -","- C20 H24 N6 O6 Ru -","- C160 H192 N48 O48 Ru8 -","8","0.25","MX3053","Buron-Le Cointe, Marylise; Cormary, Beno\?ît; Toupet, Loïc; Malfant, Isabelle","The three-dimensional intermolecular network formed <i>via</i> water molecules in <i>trans</i>-bis(nitrito-κ<i>N</i>)tetrakis(pyridine-κ<i>N</i>)ruthenium(II) dihydrate","Acta Crystallographica Section C","2011","67","12","m375","m377","10.1107/S0108270111044672","","","0.71073","MoKα","","0.0287","0.018","","","0.0473","0.0491","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018883","7.461","","7.461","","14.804","","90","","90","","90","","824.087","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Er Rh4 B4","","- B4 Er Rh4 -","- B4 Er Rh4 -","- B32 Er8 Rh32 -","8","0.25","","Muto, Y.; Iwasaki, H.; Watanabe, Y.","Structure of the body-centered tetragonal ErRh4B4","Acta Crystallographica C (39,1983-)","1986","42","","1469","1472","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102629","10.0091","0.0016","10.0091","0.0016","22.467","0.006","90","","90","","90","","2250.8","0.8","293","2","293","2","","","","","","","Synthetic","4","I 41/a c d :2","-I 4bd 2c","142","Barium copper cyclosilicate","Barium copper cyclosilicate","Colinowensite","- Ba Cu O6 Si2 -","- Ba Cu O6 Si2 -","- Ba16 Cu16 O96 Si32 -","16","0.5","NA5017","Sparta, Karine M.; Roth, Georg","Reinvestigation of the structure of BaCuSi~2~O~6~ – evidence for a phase transition at high temperature","Acta Crystallographica Section B","2004","60","5","491","495","10.1107/S0108768104011644","","","0.71069","MoKα","","0.0592","0.0283","","","0.0414","0.0424","","","","","","1.261","","","","has coordinates","282068","2023-03-26","10:12:31",""
"2103186","19.265","","19.265","","15.913","","90","","90","","90","","5905.95","","","","","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","Catena-(tetrakis(μ2-1,4-diazoniabicyclo(2.2.2)octane-1,4-dipropianato) di-zinc(II) tetraperchlorate","","- C48 H80 Cl4 N8 O32 Zn2 -","- C48 H80 Cl4 N8 O48 Zn2 -","- C192 H320 Cl16 N32 O192 Zn8 -","4","0.125","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199519","2020-10-21","18:00:00",""
"2103471","12.393","0.0018","12.393","0.0018","24.889","0.005","90","","90","","90","","3822.6","1.1","293","1","293","1","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","mercuric iodide","","","- Hg I2 -","- Hg I2 -","- Hg32 I64 -","32","1","BK0120","Hostettler, Marc; Schwarzenbach, Dieter","The structure of orange HgI~2~. II. Diamond-type structure and twinning","Acta Crystallographica Section B","2002","58","6","914","920","10.1107/S0108768102016191","","","0.71073","MoKα","","0.0643","0.045","","","0.0955","0.0977","","","","","","1.783","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106842","15.49","","15.49","","20.52","","90","","90","","90","","4923.57","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","La10 S14.5 O0.5","","- La10 O0.5 S14.5 -","- La10 O0.5 S14.5 -","- La80 O4 S116 -","8","0.25","","Besancon, P.; Carre, D.; Laruelle, P.","Mecanisme de la solution solide des oxysulfures de terres rares L10 S15-x Ox","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1064","1066","","","","","","","","","","","","","","","","","","","","","","has coordinates","160805","2020-10-21","18:00:00",""
"2106957","10.33","","10.33","","20.38","","90","","90","","90","","2174.73","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","Mg (H2 P O2)2 (H2 O)6","","- H16 Mg O10 P2 -","- H16 Mg O10 P2 -","- H128 Mg8 O80 P16 -","8","0.25","","Galigne, J.L.; Dumas, Y.","Nouvelle determination de la structure cristalline de l'hypophosphite de magnesium hexahydrate Mg (P O2 H2)2 (H2 O)6","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1115","1119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2108215","11.6446","0.0002","11.6446","0.0002","11.6548","0.0002","90","","90","","90","","1580.35","0.05","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Al16 F4.77 Mn24 O91.23 Si20.61 -","- Al16 F4.8 Mn24 O91.2 Si20.88 -","- Al16 F4.8 Mn24 O91.2 Si20.88 -","1","0.03125","","Antao, Sytle M.; Cruickshank, Laura A.","Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets","Acta Crystallographica Section B","2018","74","1","104","114","10.1107/S2052520617018248","","x-ray","0.71073","MoKα","","0.0387","0.029","","","0.0743","0.0774","","","","","","1.232","","","","has coordinates,has Fobs","206007","2020-10-21","18:00:00",""
"2108216","12.4908","0.0002","12.4908","0.0002","11.9092","0.0002","90","","90","","90","","1858.07","0.05","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.48 Ca24 H32 Mn15.52 O96 Si16.19 -","- Al0.48 Ca24 H32 Mn15.52 O96 Si16.16 -","- Al0.48 Ca24 H32 Mn15.52 O96 Si16.16 -","1","0.03125","","Antao, Sytle M.; Cruickshank, Laura A.","Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets","Acta Crystallographica Section B","2018","74","1","104","114","10.1107/S2052520617018248","","x-ray","0.71073","MoKα","","0.0227","0.0204","","","0.0428","0.0432","","","","","","1.209","","","","has coordinates,has Fobs","206007","2020-10-21","18:00:00",""
"2200542","14.8323","0.0007","14.8323","0.0007","30.0976","0.001","90","","90","","90","","6621.4","0.5","230","2","230","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Methylzinc tert-butoxide, thf solvate","tetra-μ~3~-tert-butoxo-tetrakis(methylzinc) tetrahydrofuran solvate","","- C24 H56 O5 Zn4 -","- C24 H56 O5 Zn4 -","- C192 H448 O40 Zn32 -","8","0.25","WN6021","Bond, Andrew D.; Linton, David J.; Wheatley, Andrew E. H.","Methylzinc <i>tert</i>-butoxide tetrahydrofuran solvate","Acta Crystallographica Section E","2001","57","7","m298","m300","10.1107/S1600536801009667","","","0.71073","MoKα","","0.0587","0.0389","","","","0.1097","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203069","16.596","0.001","16.596","0.001","11.996","0.002","90","","90","","90","","3304","0.6","293","2","","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","Bis(μ-1,2,4-triazole-κ^2^N^1^:N^2^)bis[aqua(oxalato-κ^2^O,O')copper(II)]","","- C8 H14 Cu2 N6 O12 -","- C8 H14 Cu2 N6 O12 -","- C64 H112 Cu16 N48 O96 -","8","0.25","HB6006","Castillo, Oscar; García-Couceiro, Urko; Luque, Antonio; García-Terán, Juan P.; Román, Pascual","Bis(μ-1,2,4-triazole-κ^2^<i>N</i>^1^:<i>N</i>^2^)bis[diaqua(oxalato-κ^2^<i>O,O</i>')copper(II)]","Acta Crystallographica Section E","2004","60","1","m9","m11","10.1107/S1600536803027119","","","0.71073","MoKα","","0.1029","0.0408","","","0.0993","0.1156","","","","","","0.977","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204923","15.815","0.006","15.815","0.006","16.773","0.009","90","","90","","90","","4195","3","110","2","110","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","Dichlorotetrapyridinenickel(II) 0.76-hydrate","","- C20 H21.52 Cl2 N4 Ni O0.76 -","- C20 H21.52 Cl2 N4 Ni O0.76 -","- C160 H172.16 Cl16 N32 Ni8 O6.08 -","8","0.25","LH6331","Zhang, Hui; Fang, Liang","Dichlorotetrapyridinenickel(II) 0.76-hydrate","Acta Crystallographica Section E","2005","61","1","m180","m182","10.1107/S1600536804033586","","","0.71073","MoKα","","0.0383","0.022","","","0.047","0.0485","","","","","","0.831","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2219167","19.124","0.005","19.124","0.005","14.912","0.0004","90","","90","","90","","5454","2","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","catena-Poly[manganese(II)-(μ~2~-3,5-di-2-pyridyl-1,2,4-triazolato)-μ~2~- formato]","","- C13 H9 Mn N5 O2 -","- C13 H9 Mn N5 O2 -","- C208 H144 Mn16 N80 O32 -","16","0.5","SI2099","Zhang, Ya-Wen; Zhang, Gong; Sun, Yan-Yan; Cheng, Lin","<i>catena</i>-Poly[manganese(II)-(μ~2~-3,5-di-2-pyridyl-1,2,4-triazolato)-μ~2~-formato]","Acta Crystallographica Section E","2008","64","8","m1073","","10.1107/S160053680802299X","","","0.71073","MoKα","","0.0617","0.055","","","0.1172","0.1212","","","","","","1.094","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2228157","15.3804","0.0004","15.3804","0.0004","22.9843","0.0012","90","","90","","90","","5437.1","0.3","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","Poly[[tetrakis(μ~2~-pyrazine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>:<i>O</i>')neodymium(III)] tris(perchlorate)]","","- C16 H16 Cl3 N8 Nd O20 -","- C16 H16 Cl3 N8 Nd O20 -","- C128 H128 Cl24 N64 Nd8 O160 -","8","0.25","ZL2298","Quinn-Elmore, Benjamin G.; Buchner, James D.; Beach, Keith B.; Knaust, Jacqueline M.","Poly[[tetrakis(μ~2~-pyrazine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>:<i>O</i>')neodymium(III)] tris(perchlorate)]","Acta Crystallographica Section E","2010","66","9","m1104","m1105","10.1107/S1600536810031818","","","0.71073","MoKα","","0.041","0.0376","","","0.1027","0.1062","","","","","","1.099","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228158","15.2553","0.0004","15.2553","0.0004","22.6667","0.0012","90","","90","","90","","5275.1","0.3","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","Poly[[tetrakis(μ~2~-pyrazine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>:<i>O</i>')dysprosium(III)] tris(perchlorate)]","","- C16 H16 Cl3 Dy N8 O20 -","- C16 H16 Cl3 Dy N8 O20 -","- C128 H128 Cl24 Dy8 N64 O160 -","8","0.25","ZL2299","Quinn-Elmore, Benjamin G.; Buchner, James D.; Beach, Keith B.; Knaust, Jacqueline M.","Poly[[tetrakis(μ~2~-pyrazine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>:<i>O</i>')dysprosium(III)] tris(perchlorate)]","Acta Crystallographica Section E","2010","66","9","m1106","m1107","10.1107/S160053681003182X","","","0.71073","MoKα","","0.0375","0.0325","","","0.0905","0.096","","","","","","0.987","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228159","15.2302","0.0004","15.2302","0.0004","22.6334","0.0012","90","","90","","90","","5250","0.3","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","Poly[[tetrakis(μ~2~-pyrazine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>:<i>O</i>')holmium(III)] tris(perchlorate)]","","- C16 H16 Cl3 Ho N8 O20 -","- C16 H16 Cl3 Ho N8 O20 -","- C128 H128 Cl24 Ho8 N64 O160 -","8","0.25","ZL2300","Buchner, James D.; Quinn-Elmore, Benjamin G.; Beach, Keith B.; Knaust, Jacqueline M.","Poly[[tetrakis(μ~2~-pyrazine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>:<i>O</i>')holmium(III)] tris(perchlorate)]","Acta Crystallographica Section E","2010","66","9","m1108","m1109","10.1107/S1600536810031831","","","0.71073","MoKα","","0.0412","0.0352","","","0.0969","0.103","","","","","","1.044","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228160","15.1777","0.0004","15.1777","0.0004","22.5094","0.0012","90","","90","","90","","5185.3","0.3","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","Poly[[tetrakis(μ~2~-pyrazine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>:<i>O</i>')erbium(III)] tris(perchlorate)]","","- C16 H16 Cl3 Er N8 O20 -","- C16 H16 Cl3 Er N8 O20 -","- C128 H128 Cl24 Er8 N64 O160 -","8","0.25","ZL2301","Buchner, James D.; Quinn-Elmore, Benjamin G.; Beach, Keith B.; Knaust, Jacqueline M.","Poly[[tetrakis(μ~2~-pyrazine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>:<i>O</i>')erbium(III)] tris(perchlorate)]","Acta Crystallographica Section E","2010","66","9","m1110","m1111","10.1107/S1600536810031843","","","0.71073","MoKα","","0.0344","0.0317","","","0.0883","0.0922","","","","","","0.979","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2231677","14.664","0.0001","14.664","0.0001","29.8298","0.0007","90","","90","","90","","6414.39","0.16","296","2","296","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","Bis[2-(2-aminoethylamino)ethanol]copper(II) dinitrate","","- C8 H24 Cu N6 O8 -","- C8 H24 Cu N6 O8 -","- C128 H384 Cu16 N96 O128 -","16","0.5","QM2020","Azadbakht, Reza; Amiri Rudbari, Hadi; Bruno, Giuseppe","Bis[2-(2-aminoethylamino)ethanol]copper(II) dinitrate","Acta Crystallographica Section E","2011","67","9","m1203","","10.1107/S1600536811030637","","","0.71073","MoKα","","0.0445","0.0351","","","0.1132","0.1205","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234191","14.4471","0.0003","14.4471","0.0003","15.8181","0.0003","90","","90","","90","","3301.53","0.12","294","2","294","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","Dichloridotetrakis(1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)copper(II)","","- C8 H12 Cl2 Cu N12 -","- C8 H12 Cl2 Cu N12 -","- C64 H96 Cl16 Cu8 N96 -","8","0.25","GK2463","Vidmar, Maja; Kobal, Tatjana; Kozlevčar, Bojan; Šegedin, Primož; Golobič, Amalija","Dichloridotetrakis(1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)copper(II)","Acta Crystallographica Section E","2012","68","4","m375","m376","10.1107/S1600536812008872","","","0.71073","MoKα","","0.034","0.0247","","","0.0626","0.0667","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236514","24.906","0.0004","24.906","","14.9684","0.0002","90","","90","","90","","9285.03","0.19","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","3,5,3',5'-Tetramethyl-4,4'-bi(1<i>H</i>-pyrazolyl) hemihydrate","","- C10 H15 N4 O0.5 -","- C10 H15 N4 O0.5 -","- C320 H480 N128 O16 -","32","1","NG5290","Jin, Shouwen; Huang, Yanfei; Fang, Hao; Wang, Tianyi; Ding, Liangliang","3,5,3',5'-Tetramethyl-4,4'-bi(1<i>H</i>-pyrazolyl) hemihydrate","Acta Crystallographica Section E","2012","68","10","o2896","","10.1107/S1600536812037920","","","0.71073","MoKα","","0.0797","0.0525","","","0.151","0.169","","","","","","1.099","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4000020","24.691","0.001","24.691","0.001","14.556","0.001","90","","90","","90","","8873.5","0.9","153.2","","153.2","","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C40 H43 Cu2 F8 N8 Nb O2 -","- C40 H40 Cu F4.5 N8 Nb0.25 O2.5 -","- C320 H320 Cu8 F36 N64 Nb2 O20 -","8","0.25","","Norquist, Alexander J.; Welk, Margaret E.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.","Synthesis of the Neutral (CuF(NC~5~H~5~)~4~)~2~NbOF~5~ Cluster","Chemistry of Materials","2000","12","7","1905","1909","10.1021/cm0001354","","","0.7107","MoKα","","0.0515","0.052","","0.042","","0.042","","","1.401","","","1.4","","","","has coordinates","277839","2022-09-14","18:07:02",""
"4000033","15.93","0.004","15.93","0.004","21.213","0.005","90","","90","","90","","5383","2","130","2","130","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Eu14 Mn P11 -","- Eu14 Mn P11 -","- Eu112 Mn8 P88 -","8","0.25","","Payne, Amy C.; Olmstead, Marilyn M.; Kauzlarich, Susan M.; Webb, David J.","Structure, Magnetism, and Magnetoresistance of the Compounds Eu~14~MnAs~11~ and Eu~14~MnP~11~","Chemistry of Materials","2001","13","4","1398","1406","10.1021/cm0007050","","","0.71073","MoKα","","0.039","0.0279","","","0.0483","0.0513","","","","","","0.968","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000034","16.318","0.002","16.318","0.002","21.684","0.004","90","","90","","90","","5773.7","1.6","130","2","130","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- As11 Eu14 Mn -","- As11 Eu14 Mn -","- As88 Eu112 Mn8 -","8","0.25","","Payne, Amy C.; Olmstead, Marilyn M.; Kauzlarich, Susan M.; Webb, David J.","Structure, Magnetism, and Magnetoresistance of the Compounds Eu~14~MnAs~11~ and Eu~14~MnP~11~","Chemistry of Materials","2001","13","4","1398","1406","10.1021/cm0007050","","","0.71073","MoKα","","0.0788","0.0459","","","0.0781","0.0887","","","","","","0.996","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000115","17.2235","0.0007","17.2235","0.0007","22.6555","0.0009","90","0.0008","90","0.0008","90","0.0008","6720.7","0.5","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Eu~13~CaMnSb~11~","","","- Ca Eu13 Mn Sb11 -","- Ca1.472 Eu12.528 Mn Sb11 -","- Ca11.776 Eu100.224 Mn8 Sb88 -","8","0.25","","","","Chemistry of Materials","2002","","","","","10.1021/cm011624m","","","0.71073","MoKα","","0.0513","0.0413","","","0.1085","0.1129","","","","","","1.127","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000116","17.1737","0.0007","17.1737","0.0007","22.5741","0.001","90","0.001","90","0.001","90","0.001","6657.9","0.5","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Eu~12~Ca~2~MnSb~11~","","","- Ca2 Eu12 Mn Sb11 -","- Ca2.81 Eu11.19 Mn Sb11 -","- Ca22.48 Eu89.52 Mn8 Sb88 -","8","0.25","","","","Chemistry of Materials","2002","","","","","10.1021/cm010512s","","","0.71073","MoKα","","0.0489","0.0392","","","0.1081","0.1122","","","","","","1.11","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000149","17.387","0.0009","17.387","0.0009","22.7773","0.0011","90","0.001","90","0.001","90","0.001","6885.8","0.6","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Eu13BaMnSb11","","","- Ba Eu13 Mn Sb11 -","- Ba1.4 Eu12.6 Mn Sb11 -","- Ba11.2 Eu100.8 Mn8 Sb88 -","8","0.25","","","","Chemistry of Materials","2002","","","","","10.1021/cm011624m","","","0.71073","MoKα","","0.0876","0.0544","","","0.1299","0.1444","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000151","17.2989","0.0007","17.2989","0.0007","22.7809","0.0009","90","0.0009","90","0.0008","90","0.0009","6817.2","0.5","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Eu~13~SrMnSb~11~","","","- Eu13 Mn Sb11 Sr -","- Eu12.916 Mn Sb11 Sr1.084 -","- Eu103.328 Mn8 Sb88 Sr8.672 -","8","0.25","","","","Chemistry of Materials","2002","","","","","10.1021/cm011624m","","","0.71073","MoKα","","0.052","0.0402","","","0.1084","0.113","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000152","17.28","0.0007","17.28","0.0007","22.733","0.0008","90","0.0008","90","0.0009","90","0.0009","6788","0.5","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Eu13YbMnSb11","","","- Eu13 Mn Sb11 Yb -","- Eu12.892 Mn Sb11 Yb1.108 -","- Eu103.136 Mn8 Sb88 Yb8.864 -","8","0.25","","","","Chemistry of Materials","2002","","","","","10.1021/cm011624m","","","0.71073","MoKα","","0.0501","0.0383","","","0.1005","0.105","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000182","16.7963","0.0006","16.7963","0.0006","22.1567","0.0008","90","0.001","90","0.001","90","0.001","6250.8","0.4","93","2","93","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Ca~13~EuMnSB~11~","","","- Ca12 Eu2 Mn Sb11 -","- Ca12.664 Eu1.336 Mn Sb11 -","- Ca101.312 Eu10.688 Mn8 Sb88 -","8","0.25","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0531","0.0408","","","0.1063","0.1102","","","","","","1.276","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000183","16.8685","0.0008","16.8685","0.0008","22.1974","0.001","90","0.001","90","0.001","90","0.001","6316.2","0.5","93","2","93","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Ca~11~Eu~3~MnSB~11~","","","- Ca11 Eu3 Mn Sb11 -","- Ca10.744 Eu3.256 Mn Sb11 -","- Ca85.952 Eu26.048 Mn8 Sb88 -","8","0.25","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0634","0.0509","","","0.1444","0.1501","","","","","","1.429","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000184","16.9297","0.0007","16.9297","0.0007","22.2492","0.0009","90","0.001","90","0.001","90","0.001","6377","0.5","93","2","93","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Ca~9~Eu~5~MnSB~11~","","","- Ca9 Eu5 Mn Sb11 -","- Ca9.384 Eu4.616 Mn Sb11 -","- Ca75.072 Eu36.928 Mn8 Sb88 -","8","0.25","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0592","0.0522","","","0.1413","0.1435","","","","","","2.012","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000185","17.014","0.0009","17.014","0.0009","22.2998","0.0012","90","","90","","90","","6455.3","0.6","93","2","93","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Ca~7~Eu~7~MnSB~11~","","","- Ca7 Eu7 Mn Sb11 -","- Ca7.18 Eu6.82 Mn Sb11 -","- Ca57.44 Eu54.56 Mn8 Sb88 -","8","0.25","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0338","0.0316","","","0.0755","0.0763","","","","","","1.084","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000186","17.0832","0.0008","17.0832","0.0008","22.4131","0.001","90","0.001","90","0.001","90","0.001","6540.9","0.5","93","2","93","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Ca~5~Eu~9~MnSB~11~","","","- Ca5 Eu9 Mn Sb11 -","- Ca5.346 Eu8.654 Mn Sb11 -","- Ca42.768 Eu69.232 Mn8 Sb88 -","8","0.25","","","","Chemistry of Materials","2002","","","","","10.1021/cm020065w","","","0.71073","MoKα","","0.0711","0.0413","","","0.0901","0.0992","","","","","","0.985","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000211","8.23813","0.00006","8.23813","","33.6377","0.0004","90","","90","","90","","2282.88","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- B5 Gd O9 -","- B96 Gd32 O192 -","- B96 Gd32 O192 -","","","","Li, Linyan; Lu, Peichao; Wang, Yaoyang; Jin, Xianglin; Li, Guobao; Wang, Yingxia; You, Liping; Lin, Jianhua","Synthesis of Rare Earth Polyborates Using Molten Boric Acid as a Flux","Chemistry of Materials","2002","14","12","4963","4968","10.1021/cm0203870","powder diffraction","","","","","","","","","","","","","1.94","","","","","","","has coordinates","218972","2020-10-21","18:00:00",""
"4001148","16.5899","0.0003","16.5899","0.0003","21.909","0.0009","90","","90","","90","","6029.9","0.3","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn0.78 Sb11 Yb14 Zn0.22 -","- Mn0.78 Sb11 Yb14 Zn0.22 -","- Mn6.24 Sb88 Yb112 Zn1.76 -","8","0.25","","Brown, Shawna R.; Toberer, Eric S.; Ikeda, Teruyuki; Cox, Catherine A.; Gascoin, Franck; Kauzlarich, Susan M.; Snyder, G. Jeffrey","Improved Thermoelectric Performance in Yb14Mn1−xZnxSb11by the Reduction of Spin-Disorder Scattering","Chemistry of Materials","2008","20","10","3412","","10.1021/cm703616q","","","0.71073","MoKα","","0.0344","0.0259","","","0.0638","0.0666","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001149","16.5883","0.0007","16.5883","0.0007","21.9115","0.0017","90","","90","","90","","6029.4","0.6","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn0.77 Sb11 Yb14 Zn0.23 -","- Mn0.77 Sb11 Yb14 Zn0.23 -","- Mn6.16 Sb88 Yb112 Zn1.84 -","8","0.25","","Brown, Shawna R.; Toberer, Eric S.; Ikeda, Teruyuki; Cox, Catherine A.; Gascoin, Franck; Kauzlarich, Susan M.; Snyder, G. Jeffrey","Improved Thermoelectric Performance in Yb14Mn1−xZnxSb11by the Reduction of Spin-Disorder Scattering","Chemistry of Materials","2008","20","10","3412","","10.1021/cm703616q","","","0.71073","MoKα","","0.0315","0.0229","","","0.0556","0.0585","","","","","","1.153","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001150","16.5776","0.0007","16.5776","0.0007","21.8888","0.0019","90","","90","","90","","6015.4","0.6","93","2","93","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn0.67 Sb11 Yb14 Zn0.33 -","- Mn0.67 Sb11 Yb14 Zn0.33 -","- Mn5.36 Sb88 Yb112 Zn2.64 -","8","0.25","","Brown, Shawna R.; Toberer, Eric S.; Ikeda, Teruyuki; Cox, Catherine A.; Gascoin, Franck; Kauzlarich, Susan M.; Snyder, G. Jeffrey","Improved Thermoelectric Performance in Yb14Mn1−xZnxSb11by the Reduction of Spin-Disorder Scattering","Chemistry of Materials","2008","20","10","3412","","10.1021/cm703616q","","","0.71073","MoKα","","0.0296","0.0286","","","0.0729","0.0734","","","","","","1.151","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001151","16.5893","0.0006","16.5893","0.0006","21.8917","0.0015","90","","90","","90","","6024.7","0.5","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn0.32 Sb11 Yb14 Zn0.68 -","- Mn0.32 Sb11 Yb14 Zn0.68 -","- Mn2.56 Sb88 Yb112 Zn5.44 -","8","0.25","","Brown, Shawna R.; Toberer, Eric S.; Ikeda, Teruyuki; Cox, Catherine A.; Gascoin, Franck; Kauzlarich, Susan M.; Snyder, G. Jeffrey","Improved Thermoelectric Performance in Yb14Mn1−xZnxSb11by the Reduction of Spin-Disorder Scattering","Chemistry of Materials","2008","20","10","3412","","10.1021/cm703616q","","","0.71073","MoKα","","0.0274","0.0262","","","0.0672","0.0677","","","","","","1.182","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001152","16.581","0.0006","16.581","0.0006","21.8748","0.0015","90","","90","","90","","6014","0.5","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn0.19 Sb11 Yb14 Zn0.81 -","- Mn0.19 Sb11 Yb14 Zn0.81 -","- Mn1.52 Sb88 Yb112 Zn6.48 -","8","0.25","","Brown, Shawna R.; Toberer, Eric S.; Ikeda, Teruyuki; Cox, Catherine A.; Gascoin, Franck; Kauzlarich, Susan M.; Snyder, G. Jeffrey","Improved Thermoelectric Performance in Yb14Mn1−xZnxSb11by the Reduction of Spin-Disorder Scattering","Chemistry of Materials","2008","20","10","3412","","10.1021/cm703616q","","","0.71073","MoKα","","0.0345","0.0246","","","0.0566","0.0602","","","","","","1.198","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001655","17.28","0.005","17.28","0.005","23.129","0.008","90","","90","","90","","6906","4","130","2","130","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Eu14 In Sb11 -","- Eu14 In Sb11 -","- Eu112 In8 Sb88 -","8","0.25","","Chan, Julia Y.; Wang, Mary E.; Rehr, Anette; Kauzlarich, Susan M.; Webb, David J.","Synthesis, Structure, and Magnetic Properties of the Rare-Earth Zintl Compounds Eu14MnPn11and Eu14InPn11(Pn = Sb, Bi)","Chemistry of Materials","1997","9","10","2131","","10.1021/cm970219l","","","0.71073","MoKα","","0.0514","0.0404","","0.0865","0.0823","","","","1.09","1.13","1.13","","","","","has coordinates","295967","2024-11-17","18:31:39",""
"4001656","17.632","0.004","17.632","0.004","23.047","0.006","90","","90","","90","","7165","3","130","2","130","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Bi11 Eu14 Mn -","- Bi11 Eu14 Mn -","- Bi88 Eu112 Mn8 -","8","0.25","","Chan, Julia Y.; Wang, Mary E.; Rehr, Anette; Kauzlarich, Susan M.; Webb, David J.","Synthesis, Structure, and Magnetic Properties of the Rare-Earth Zintl Compounds Eu14MnPn11and Eu14InPn11(Pn = Sb, Bi)","Chemistry of Materials","1997","9","10","2131","","10.1021/cm970219l","","","0.71073","MoKα","","0.0803","0.0453","","0.0896","0.0782","","","","0.987","1.045","1.045","","","","","has coordinates","295967","2024-11-17","18:31:39",""
"4001857","32.7924","0.0001","32.7924","0.0001","28.322","0.0002","90","","90","","90","","30455.8","0.3","293","2","","","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C8 H36 B18 N6 O61 V12 Zn2 -","- C8 H36 B18 N6 O61 V12 Zn2 -","- C128 H576 B288 N96 O976 V192 Zn32 -","16","0.5","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","0.6889","synchrotron","","0.0368","0.036","","","0.1694","0.172","","","","","","1.099","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002166","16.693","0.002","16.693","0.002","22.577","0.005","90","","90","","90","","6291.2","1.8","90","2","90","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Ca14 Mg Sb11 -","- Ca14 Mg Sb10.908 -","- Ca112 Mg8 Sb87.264 -","8","0.25","","Hu, Yufei; Wang, Jian; Kawamura, Airi; Kovnir, Kirill; Kauzlarich, Susan M.","Yb14MgSb11and Ca14MgSb11—New Mg-Containing Zintl Compounds and Their Structures, Bonding, and Thermoelectric Properties","Chemistry of Materials","2015","27","1","343","","10.1021/cm504059t","","","0.71073","MoKα","","0.0792","0.0394","","","0.0752","0.0907","","","","","","1.006","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002167","16.625","0.009","16.625","0.009","22.24","0.02","90","","90","","90","","6147","7","90","2","90","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Mg Sb11 Yb14 -","- Mg Sb11 Yb14 -","- Mg8 Sb88 Yb112 -","8","0.25","","Hu, Yufei; Wang, Jian; Kawamura, Airi; Kovnir, Kirill; Kauzlarich, Susan M.","Yb14MgSb11and Ca14MgSb11—New Mg-Containing Zintl Compounds and Their Structures, Bonding, and Thermoelectric Properties","Chemistry of Materials","2015","27","1","343","","10.1021/cm504059t","","","0.71073","MoKα","","0.0256","0.0194","","","0.0381","0.0398","","","","","","1.143","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002353","18.633","","18.633","","24.34","","90","","90","","90","","8450.57","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Ba14 Bi11 Mn -","- Ba14 Bi11 Mn -","- Ba112 Bi88 Mn8 -","8","0.25","","Kuromoto, T.Y.; Kauzlarich, S.M.; Webb, D.J.","Structure and properties of the transition-metal Zintl compounds: A14 Mn Bi11 (A= Ca, Sr, Ba)","Chemistry of Materials (1,1989-)","1992","4","","435","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002354","17.002","","17.002","","22.422","","90","","90","","90","","6481.48","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Bi11 Ca14 Mn -","- Bi11 Ca14 Mn -","- Bi88 Ca112 Mn8 -","8","0.25","","Kuromoto, T.Y.; Kauzlarich, S.M.; Webb, D.J.","Structure and properties of the transition-metal Zintl compounds: A14 Mn Bi11 (A= Ca, Sr, Ba)","Chemistry of Materials (1,1989-)","1992","4","","435","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002642","7.85254","0.00006","7.85254","0.00006","12.14548","0.00017","90","","90","","90","","748.919","0.013","295","","295","","","","100","","","","","3","I 41/a c d :2","-I 4bd 2c","142","δ-manganese borohydride","manganese ditetrahydroborate","","- B2 H8 Mn -","- B2 H8 Mn -","- B16 H64 Mn8 -","8","0.25","","Tumanov, Nikolay A.; Roedern, Elsa; Łodziana, Zbigniew; Nielsen, Dorrit B.; Jensen, Torben R.; Talyzin, Alexandr V.; Černý, Radovan; Chernyshov, Dmitry; Dmitriev, Vladimir; Palasyuk, Taras; Filinchuk, Yaroslav","High-Pressure Study of Mn(BH4)2Reveals a Stable Polymorph with High Hydrogen Density","Chemistry of Materials","2016","28","1","274","","10.1021/acs.chemmater.5b04102","powder diffraction","","0.82577","synchrotron","","","","","","","","","5.1809","4.01","","","","","","","has coordinates","175776","2020-10-21","18:00:00",""
"4004044","16.378","0.003","16.378","0.003","27.376","0.007","90","","90","","90","","7343","3","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","NaCu3(C2H3N4)4","'NaCu3(C2H3N4)4'","","- C8 H12 Cu3 N16 Na -","- C8 H12 Cu3 N16 Na -","- C128 H192 Cu48 N256 Na16 -","16","0.5","","Lu, Ying-Bing; Liao, Ya-Qing; Dong, Lu; Zhu, Shui-Dong; Wen, He-Rui; Huang, Jing; Dai, Xue-Xun; Lian, Ping; Jiang, Xiao-Ming; Li, Rong; Xie, Yong-Rong","Ultra-Stable Metal–Organic Framework with Concurrent High Proton Conductivity and Fluorescence Sensing for Nitrobenzene","Chemistry of Materials","2021","33","19","7858","7868","10.1021/acs.chemmater.1c02562","","","0.71073","MoKα","","0.039","0.0387","","","0.165","0.1653","","","","","","1.429","","","","has coordinates","270263","2021-11-03","22:33:29",""
"4004048","16.6247","0.0015","16.6247","0.0015","22.222","0.002","90","","90","","90","","6141.7","1","90","2","90","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ba0.25 Ca3.42 Mg1.18 Sb11 Yb10.15 -","- Ba0.2472 Ca3.4166 Mg1.1824 Sb11 Yb10.153 -","- Ba1.9776 Ca27.3328 Mg9.4592 Sb88 Yb81.224 -","8","0.25","","Perez, Christopher J.; Cerretti, Giacomo; Wille, Elizabeth L. K.; Devlin, Kasey P.; Grewal, Navtej S.; Justl, Andrew P.; Wood, Maxwell; Bux, Sabah K.; Kauzlarich, Susan M.","Evolution of Thermoelectric Properties in the Triple Cation Zintl Phase: Yb13–xCaxBaMgSb11 (x = 1–6)","Chemistry of Materials","2021","33","20","8059","8069","10.1021/acs.chemmater.1c02584","","","0.71073","MoKα","","0.0208","0.0199","","","0.0435","0.0438","","","","","","1.183","","","","has coordinates,has disorder","270265","2021-11-03","22:36:53",""
"4025390","45.39","0.005","45.39","0.005","28.447","0.007","90","","90","","90","","58608","17","150","2","150","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","K(H2O)2[(CB2)2Ph]4","[K(C28H26N16O8)4(H2O)2](CF3COO).16CF3COOH.48H2O","","- C146 H220 F51 K N64 O116 -","- C112 H104 K N64 O34 -","- C896 H832 K8 N512 O272 -","8","0.25","","Da Ma; Zuzana Gargulakova; Peter Y. Zavalij; Vladimir Sindelar; Lyle Isaacs","Reasons Why Aldehydes Do Not Generally Participate in Cucurbit[n]uril Forming Reactions","Journal of Organic Chemistry","2010","75","","2934","2941","10.1021/jo100186q","","","0.71073","MoKα","","0.1216","0.0948","","","0.187","0.197","","","","","","1","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4026383","15.8008","0.0011","15.8008","0.0011","16.9668","0.001","90","","90","","90","","4236","0.5","103","2","103","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H20 Cl2 Fe N4 -","- C20 H20 Cl2 Fe N4 -","- C160 H160 Cl16 Fe8 N32 -","8","0.25","","Thi My Uyen Ton; Ciputra Tejo; Stefani Tania; Joyce Wei Wei Chang; Philip Wai Hong Chan","Iron(II)-Catalyzed Amidation of Aldehydes with Iminoiodinanes at Room Temperature and under Microwave-Assisted Conditions","Journal of Organic Chemistry","2011","76","","4894","4904","10.1021/jo200284a","","","0.71073","MoKα","","0.1369","0.1241","","","0.2367","0.2426","","","","","","1.333","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4027944","19.9753","0.0016","19.9753","0.0016","27.812","0.004","90","","90","","90","","11097","2","170","","170","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C30 H30 N2 O9 S2 -","- C30 H30 N2 O9 S2 -","- C480 H480 N32 O144 S32 -","16","0.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0918","0.0698","","0.1275","0.0935","0.0935","","","","","","0.9496","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4029698","14.7337","0.0004","14.7337","0.0004","43.098","0.003","90","","90","","90","","9355.8","0.7","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C46 H56 Cl2 N8 Pd -","- C46 H50 Cl2 N8 Pd -","- C368 H400 Cl16 N64 Pd8 -","8","0.25","","Shaik, Jeelani Basha; Ramkumar, Venkatachalam; Varghese, Babu; Sankararaman, Sethuraman","Synthesis and structure of trans-bis(1,4-dimesityl-3-methyl-1,2,3-triazol-5-ylidene)palladium(II) dichloride and diacetate. Suzuki-Miyaura coupling of polybromoarenes with high catalytic turnover efficiencies.","Beilstein journal of organic chemistry","2013","9","","698","704","10.3762/bjoc.9.79","","","0.71073","MoKα","","0.0762","0.0599","","","0.1366","0.1459","","","","","","1.329","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4069456","17.9479","0.0003","17.9479","0.0003","52.441","0.003","90","","90","","90","","16892.7","1","100","2","100","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C50 H42 Ge2 P2 Pt -","- C50 H42 Ge2 P2 Pt -","- C800 H672 Ge32 P32 Pt16 -","16","0.5","","Braddock-Wilking, Janet; Bandrowsky, Teresa; Praingam, Ngamjit; Rath, Nigam P.","Sila- and Germaplatinacycles Produced from a Stepwise E−E Bond Forming Reaction","Organometallics","2009","28","14","4098","","10.1021/om900201y","","","0.71073","MoKα","","0.0371","0.0234","","","0.037","0.0402","","","","","","1.032","","","","has coordinates,has disorder","178583","2020-10-21","18:00:00",""
"4070331","17.598","0.008","17.598","0.008","46.42","0.02","90","","90","","90","","14376","11","90","2","90","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- C84 H108 Fe2 -","- C84 H108 Fe2 -","- C672 H864 Fe16 -","8","0.25","","Ni, Chengbao; Power, Philip P.","Methyl-Bridged Transition Metal Complexes (M = Cr−Fe) Supported by Bulky Terphenyl Ligands","Organometallics","2009","28","22","6541","","10.1021/om900724p","","","0.71073","MoKα","","0.0616","0.0341","","","0.0796","0.096","","","","","","1.035","","","","has coordinates,has disorder","178592","2020-10-21","18:00:00",""
"4074761","18.376","0.003","18.376","0.003","29.187","0.006","90","","90","","90","","9856","3","301","2","301","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C54 H62 N2 O4 Zr -","- C54 H62 N2 O4 Zr -","- C432 H496 N16 O32 Zr8 -","8","0.25","","Chan, Michael C. W.; Tam, Ka-Ho; Zhu, Nianyong; Chiu, Pauline; Matsui, Shigekazu","Synthesis, Structures, and Olefin Polymerization Characteristics of Group 4 Catalysts [Zr{(OAr)2py}Cl2(D)] (D = O-Donors, Cl[HPR3]) Supported by Tridentate Pyridine-2,6-bis(aryloxide) Ligands","Organometallics","2006","25","3","785","","10.1021/om050864z","","","0.71073","MoKα","","0.0556","0.0355","","","0.0897","0.0935","","","","","","0.894","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4075292","30.6848","0.0012","30.6848","0.0012","33.474","0.002","90","","90","","90","","31518","3","273","2","273","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C158 H224 Na8 Zr8 -","- C158 H208 Na8 Zr8 -","- C1264 H1664 Na64 Zr64 -","8","0.25","","Wang, Yuzhong; Quillian, Brandon; Wei, Pingrong; Wannere, Chaitanya S.; Schleyer, Paul v. R.; Robinson, Gregory H.","A Self-Assembled Organometallic Sphere: [{(t-BuC5H4)(t-BuC5H3)Zr(μ-H)Na}2]4","Organometallics","2006","25","13","3286","","10.1021/om0601899","","","0.71073","MoKα","","0.0833","0.0397","","","0.1001","0.1541","","","","","","1.117","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4076103","21.8924","0.0007","21.8924","0.0007","32.8309","0.0008","90","","90","","90","","15735.1","0.8","150","2","150","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C32 H40 F12 Ir2 N8 P2 -","- C32 H40 F12 Ir2 N8 P2 -","- C512 H640 F192 Ir32 N128 P32 -","16","0.5","","Thewissen, Simone; Reijnders, Maike D. M.; Smits, Jan M. M.; de Bruin, Bas","Instability of Square Planar N3-Ligand Iridium(I) Ethene Complexes","Organometallics","2005","24","24","5964","","10.1021/om050594k","","","0.71073","MoKα","","0.0585","0.0436","","0.1142","0.1066","0.1142","","","1.029","","","1.029","","","","has coordinates,has disorder","178650","2020-10-21","18:00:00",""
"4077393","18.344","0.002","18.344","0.002","47.367","0.007","90","","90","","90","","15939","3","203","2","203","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C72 H112 I4 Li2 N4 O8 U2 -","- C72 H112 I4 Li2 N4 O8 U2 -","- C576 H896 I32 Li16 N32 O64 U16 -","8","0.25","","Korobkov, Ilia; Gambarotta, Sandro; Yap, Glenn P. A.; Thompson, Laurence; Hay, P. Jeffrey","Dinuclear Trivalent and Mixed-Valence Uranium [(−CH2−)5]4-calix[4]tetrapyrrole Complexes with Short Intermetallic Distances","Organometallics","2001","20","25","5440","","10.1021/om010510h","","","0.71073","MoKα","","0.0901","0.0414","","","0.0986","0.1301","","","","","","1.001","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4081090","21.644","0.009","21.644","0.009","24.538","0.012","90","","90","","90","","11495","9","296","2","296","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- C34 H24 N2 -","- C34 H24 N2 -","- C544 H384 N32 -","16","0.5","","Yuan, Jianchao; Wang, Fuzhou; Xu, Weibing; Mei, Tongjian; Li, Jing; Yuan, Bingnian; Song, Fengying; Jia, Zong","Chiral Naphthyl-α-diimine Nickel(II) Catalysts Bearingsec-Phenethyl Groups: Chain-Walking Polymerization of Ethylene at High Temperature and Stereoselective Polymerization of Methyl Methacrylate at Low Temperature","Organometallics","2013","32","14","3960","","10.1021/om400433t","","","0.71073","MoKα","","0.2828","0.154","","","0.3806","0.4484","","","","","","1.005","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4085120","14.7816","0.0005","14.7816","0.0005","48.415","0.003","90","","90","","90","","10578.5","0.8","100","","100","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C64 H44 F2 Ir2 N4 S4 -","- C64 H44 F2 Ir2 N4 S4 -","- C512 H352 F16 Ir16 N32 S32 -","8","0.25","","Maity, Ayan; Stanek, Robert J.; Anderson, Bryce L.; Zeller, Matthias; Hunter, Allen D.; Moore, Curtis E.; Rheingold, Arnold L.; Gray, Thomas G.","Fluoride Complexes of Cyclometalated Iridium(III)","Organometallics","2015","34","1","109","","10.1021/om5009555","","x-ray","0.71073","MoKα","","0.0718","0.0318","","","0.0549","0.0673","","","","","","1.077","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4102793","23.9286","0.0002","23.9286","0.0002","42.0821","0.0005","90","","90","","90","","24095.3","0.4","150","2","150","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","catena-(tetrakis(1,1'-Methylenedipiperidinium) tritriaconta-selenido-hexadeca-gallium-di-copper-di-tin)","","- C44 H96 Cu2 Ga16 N8 Se33 Sn2 -","- Cu2 Ga16 Se33 Sn2 -","- Cu16 Ga128 Se264 Sn16 -","8","0.25","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.1196","0.0587","","","0.1873","0.272","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102794","24.1584","0.0012","24.1584","0.0012","41.931","0.004","90","","90","","90","","24472","3","150","2","150","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","catena-(octakis(2-Methylpiperidinium) tritriaconta-selenido-tetradeca-gallium-tetra-zinc-di-tin)","","- C48 H112 Ga14 N8 Se33 Sn2 Zn4 -","- C10 Ga14 Se32.98 Sn2 Zn4 -","- C80 Ga112 Se263.84 Sn16 Zn32 -","8","0.25","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.0839","0.0485","","","0.1606","0.1983","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102795","24.0693","0.0003","24.0693","0.0003","42.2601","0.001","90","","90","","90","","24482.6","0.7","150","2","150","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","catena-(octakis(3-Methylpiperidinium) tritriaconta-selenido-tetradeca-gallium-tetra-zinc-di-tin)","","- C48 H112 Ga14 N8 Se33 Sn2 Zn4 -","- Ga14 Se33 Sn2 Zn4 -","- Ga112 Se264 Sn16 Zn32 -","8","0.25","","Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng","Largest Molecular Clusters in the Supertetrahedral Tn Series","Journal of the American Chemical Society","2010","132","","10823","10831","10.1021/ja102688p","","","0.71073","MoKα","","0.1441","0.0732","","","0.2213","0.3099","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103514","34.5332","0.0004","34.5332","0.0004","100.3812","0.0017","90","","90","","90","","119709","3","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C236 H436 Mn40 N4 Na4 O182 -","- C236 H400 Mn40 N4 Na4 O182 -","- C1888 H3200 Mn320 N32 Na32 O1456 -","8","0.25","","Eleni E. Moushi; Christos Lampropoulos; Wolfgang Wernsdorfer; Vassilios Nastopoulos; George Christou; Anastasios J. Tasiopoulos","Inducing Single-Molecule Magnetism in a Family of Loop-of-Loops Aggregates: Heterometallic Mn40Na4 Clusters and the Homometallic Mn44 Analogue","Journal of the American Chemical Society","2010","132","","16146","16155","10.1021/ja106666h","","","0.71073","MoKα","","0.1915","0.0954","","","0.2547","0.3078","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106294","23.5937","0.0008","23.5937","0.0008","42.62","0.003","90","","90","","90","","23725","2","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C3 Ga16 N5 Se33 Zn4 -","- C3 Ga16 N5 Se33 Zn4 -","- C24 Ga128 N40 Se264 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1745","0.0603","","","0.167","0.2278","","","","","","1.04","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106295","22.8934","0.0012","22.8934","0.0012","41.516","0.004","90","","90","","90","","21759","3","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga16 N2 S16.11 Se16.89 Zn4 -","- Ga16 N2 S16.114 Se16.886 Zn4 -","- Ga128 N16 S128.912 Se135.088 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1135","0.0691","","","0.2294","0.2793","","","","","","1.063","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106296","23.5451","0.0002","23.5451","0.0002","41.2267","0.0008","90","","90","","90","","22854.9","0.5","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga16 N2 S12.33 Se20.67 Zn4 -","- Ga16 N2 S12.33 Se20.6692 Zn4 -","- Ga128 N16 S98.64 Se165.354 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1245","0.0592","","","0.1914","0.2499","","","","","","1.091","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106297","23.0701","0.0004","23.0701","0.0004","41.4975","0.0013","90","","90","","90","","22086.2","0.9","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C2 Ga13.58 Se33 Sn2.42 Zn4 -","- C2 Ga13.572 Se33 Sn2.428 Zn4 -","- C16 Ga108.576 Se264 Sn19.424 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1258","0.0594","","","0.1836","0.2367","","","","","","1.075","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106298","23.7021","0.0003","23.7021","0.0003","42.1858","0.0008","90","","90","","90","","23699.5","0.6","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga13.87 S5.39 Se27.67 Sn2.13 Zn4 -","- Ga13.88 S5.37 Se27.67 Sn2.12 Zn4 -","- Ga111.04 S42.96 Se221.36 Sn16.96 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1409","0.0744","","","0.2158","0.3201","","","","","","1.082","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106299","23.6724","0.0002","23.6724","0.0002","42.266","0.0008","90","","90","","90","","23685.1","0.5","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga13.06 S3.3 Se29.7 Sn2.94 Zn4 -","- Ga13.0608 S3.2994 Se29.7 Sn2.9388 Zn4 -","- Ga104.486 S26.3952 Se237.6 Sn23.5104 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1209","0.0705","","","0.2373","0.2865","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106300","23.5849","0.0003","23.5849","0.0003","41.871","0.0017","90","","90","","90","","23290.6","1","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga14.17 S5.52 Se27.57 Sn1.83 Zn4 -","- Ga14.1696 S5.4919 Se27.5033 Sn1.8328 Zn4 -","- Ga113.357 S43.9352 Se220.026 Sn14.6624 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1124","0.0639","","","0.2135","0.2629","","","","","","1.086","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106301","24.1157","0.0002","24.1157","0.0002","41.9575","0.0006","90","","90","","90","","24401.1","0.5","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga12.93 S5.01 Se28.13 Sn3.07 Zn4 -","- Ga12.92 S4.952 Se28.108 Sn3.08 Zn4 -","- Ga103.36 S39.616 Se224.864 Sn24.64 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1141","0.068","","","0.2117","0.2945","","","","","","1.033","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106367","28.5955","0.0013","28.5955","0.0013","18.0782","0.0008","90","","90","","90","","14782.6","1.2","173","2","173","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Atsushi Kondo; Hiroshi Kajiro; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Kenichi Kato; Masaki Takata; Hiroko Seki; Masami Sakamoto; Yoshiyuki Hattori; Fujio Okino; Kazuyuki Maeda; Tomonori Ohba; Katsumi Kaneko; Hirofumi Kanoh","Super Flexibility of a 2D Cu-Based Porous Coordination Framework on Gas Adsorption in Comparison with a 3D Framework of Identical Composition: Framework Dimensionality-Dependent Gas Adsorptivities","Journal of the American Chemical Society","2011","133","","10512","10522","10.1021/ja201170c","","","0.71073","MoKα","","0.1069","0.0871","","0.2542","0.2398","","","","1.063","","","","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106368","28.564","0.002","28.564","0.002","18.2725","0.0013","90","","90","","90","","14908.6","1.8","173","2","173","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Atsushi Kondo; Hiroshi Kajiro; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Kenichi Kato; Masaki Takata; Hiroko Seki; Masami Sakamoto; Yoshiyuki Hattori; Fujio Okino; Kazuyuki Maeda; Tomonori Ohba; Katsumi Kaneko; Hirofumi Kanoh","Super Flexibility of a 2D Cu-Based Porous Coordination Framework on Gas Adsorption in Comparison with a 3D Framework of Identical Composition: Framework Dimensionality-Dependent Gas Adsorptivities","Journal of the American Chemical Society","2011","133","","10512","10522","10.1021/ja201170c","","","0.71073","MoKα","","0.0973","0.0899","","0.2636","0.2572","","","","1.044","","","","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106369","28.546","0.004","28.546","0.004","18.064","0.004","90","","90","","90","","14720","4","183","2","183","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Atsushi Kondo; Hiroshi Kajiro; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Kenichi Kato; Masaki Takata; Hiroko Seki; Masami Sakamoto; Yoshiyuki Hattori; Fujio Okino; Kazuyuki Maeda; Tomonori Ohba; Katsumi Kaneko; Hirofumi Kanoh","Super Flexibility of a 2D Cu-Based Porous Coordination Framework on Gas Adsorption in Comparison with a 3D Framework of Identical Composition: Framework Dimensionality-Dependent Gas Adsorptivities","Journal of the American Chemical Society","2011","133","","10512","10522","10.1021/ja201170c","","","0.71073","MoKα","","0.1324","0.0992","","0.2754","0.2606","","","","1.081","","","","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4107770","21.009","0.0017","21.009","","36.131","0.0014","90","","90","","90","","15947.4","1.4","120","0.1","120","0.1","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","Tetrais(di-tert-butylmethylsilyl)disilene cation radical tetrakis(pentfluorophenyl)borate","","- C72 H96 B F20 Si6 -","- C72 H96 B F20 Si6 -","- C576 H768 B8 F160 Si48 -","8","0.25","","Shigeyoshi Inoue; Masaaki Ichinohe; Akira Sekiguchi","The Isolable Cation Radical of Disilene: Synthesis, Characterization, and a Reversible One-Electron Redox System","Journal of the American Chemical Society","2008","130","","6078","6079","10.1021/ja801761w","","","0.7107","MoKα","","0.107","0.0591","","","0.154","0.1794","","","","","","0.981","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4109163","16.217","0.0011","16.217","0.0011","29.604","0.003","90","","90","","90","","7785.6","1.1","100","2","100","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H30 N2 Zn -","- C20 H30 N2 Zn -","- C320 H480 N32 Zn16 -","16","0.5","","Janusz Lewiński; Maciej Dranka; Wojciech Bury; Witold Śliwiński; Iwona Justyniak; Janusz Lipkowski","From Discrete Linear ZntBu2 Molecules to 1D Coordination Polymers and 2D Fabrics","Journal of the American Chemical Society","2007","129","","3096","3098","10.1021/ja067229k","","","0.71073","MoKα","","0.0704","0.0304","","","0.0687","0.0768","","","","","","0.89","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109357","31.0722","0.0006","31.0722","0.0006","9.8995","0.0004","90","","90","","90","","9557.8","0.5","293","2","293","2","","","","","","","","8","I 41/a c d :2","-I 4bd 2c","142","","","","- C8 H28 F Ga N2 O12 P4 Zn2 -","- C8 H10 F Ga N2 O12 P4 Zn2 -","- C128 H160 F16 Ga16 N32 O192 P64 Zn32 -","16","0.5","","Yu-Lun Lai; Kwang-Hwa Lii; Sue-Lein Wang","26-Ring-Channel Structure Constructed from Bimetal Phosphite Helical Chains","Journal of the American Chemical Society","2007","129","","5350","5351","10.1021/ja070733k","","","0.71073","MoKα","","0.0897","0.0462","","","0.1153","0.1274","","","","","","0.873","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109358","31.0134","0.0014","31.0134","0.0014","9.8348","0.0008","90","","90","","90","","9459.4","1","293","2","293","2","","","","","","","","8","I 41/a c d :2","-I 4bd 2c","142","","","","- C8 H28 Al F N2 O12 P4 Zn2 -","- C8 H10 Al F N2 O12 P4 Zn2 -","- C128 H160 Al16 F16 N32 O192 P64 Zn32 -","16","0.5","","Yu-Lun Lai; Kwang-Hwa Lii; Sue-Lein Wang","26-Ring-Channel Structure Constructed from Bimetal Phosphite Helical Chains","Journal of the American Chemical Society","2007","129","","5350","5351","10.1021/ja070733k","","","0.71073","MoKα","","0.1166","0.0547","","","0.1497","0.1706","","","","","","0.933","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4110501","25.3637","0.0001","25.3637","0.0001","68.031","0.0007","90","","90","","90","","43765.5","0.5","90","2","90","0.2","","","","","","","","9","I 41/a c d :2","-I 4bd 2c","142","","","","- C142 H176 B4 F12 Fe4 N78 Ni4 O27 S4 -","- C142 H176 B4 F12 Fe4 N78 Ni4 O27 S4 -","- C1136 H1408 B32 F96 Fe32 N624 Ni32 O216 S32 -","8","0.25","","Dongfeng Li; Sean Parkin; Guangbin Wang; Gordon T. Yee; Rodolphe Clérac; Wolfgang Wernsdorfer; Stephen M. Holmes","An S=6 Cyanide-Bridged Octanuclear FeIII4NiII4 Complex that Exhibits Slow Relaxation of the Magnetization","Journal of the American Chemical Society","2006","128","","4214","4215","10.1021/ja058626i","","","1.54178","CuKα","","0.1681","0.1148","","","0.3336","0.3821","","","","","","1.382","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4113418","22.595","0.003","22.595","0.003","40.905","0.008","90","","90","","90","","20883","6","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","UCR-5ZnGaS-BAPP","","","- Ga16 S33 Zn4 -","- Ga16 S33 Zn4 -","- Ga128 S264 Zn32 -","8","0.25","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.1436","0.0671","","","0.2434","0.2802","","","","","","0.931","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113419","19.201","0.002","19.201","0.002","29.815","0.004","90","","90","","90","","10992","2","293","2","293","2","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","UCR-7GaS-TETA","","","- Ga10 S18 -","- Ga10 S18 -","- Ga80 S144 -","8","0.25","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.0753","0.0585","","","0.2341","0.2422","","","","","","1.129","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113420","19.22","0.003","19.22","0.003","29.866","0.006","90","","90","","90","","11033","3","293","2","293","2","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","UCR-7GaS-TAEA","","","- Ga10 S18 -","- Ga10 S18 -","- Ga80 S144 -","8","0.25","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.0724","0.058","","","0.2256","0.2323","","","","","","1.147","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113421","19.7145","0.0018","19.7145","0.0018","30.995","0.004","90","","90","","90","","12047","2","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","UCR-7GaInS-TETA","","","- Ga4.5 In5.5 S18 -","- Ga4.6 In5.4 S18 -","- Ga36.8 In43.2 S144 -","8","0.25","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.0957","0.0587","","","0.2376","0.2591","","","","","","1.255","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113422","20.318","0.002","20.318","0.002","31.994","0.005","90","","90","","90","","13208","3","293","2","293","2","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","UCR-7InS-AEP","","","- In5 S9 -","- In5 S9 -","- In80 S144 -","16","0.5","","Nanfeng Zheng; Xianhui Bu; Pingyun Feng","Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices","Journal of the American Chemical Society","2003","125","","1138","1139","10.1021/ja021274k","","","0.71073","MoKα","","0.0756","0.0474","","","0.1928","0.2054","","","","","","1.338","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113668","19.102","0.002","19.102","0.002","20.535","0.003","90","","90","","90","","7492.9","1.6","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C38 H30 B12 F12 -","- C38 H30 B12 F12 -","- C304 H240 B96 F96 -","8","0.25","","Sergei V. Ivanov; Susie M. Miller; Oren P. Anderson; Konstantin A. Solntsev; Steven H. Strauss","Synthesis and Stability of Reactive Salts of Dodecafluoro-closo-dodecaborate(2-)","Journal of the American Chemical Society","2003","125","","4694","4695","10.1021/ja0296374","","","0.71073","MoKα","","0.1247","0.0614","","","0.099","0.117","","","","","","0.986","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4119737","21.624","0.009","21.624","0.009","38.385","0.009","90","","90","","90","","17949","11","110","2","110","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C19 H28 N3 O6 Zn -","- C19 H28 N3 O6 Zn -","- C608 H896 N96 O192 Zn32 -","32","1","","Nicholas C. Burtch; Himanshu Jasuja; David Dubbeldam; Krista S. Walton","Molecular-level Insight into Unusual Low Pressure CO2 Affinity in Pillared Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","7172","7180","10.1021/ja310770c","","","0.71073","MoKα","","0.0625","0.0515","","","0.14","0.1503","","","","","","1.028","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4122432","28.3662","0.0007","28.3662","0.0007","13.223","0.0004","90","","90","","90","","10639.8","0.5","100","2","100","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","- C480 H576 N32 O32 -","16","0.5","","Zheng, Yonghao; Miao, Mao-Sheng; Zhang, Yuan; Nguyen, Thuc-Quyen; Wudl, Fred","Striking Effect of Intra- versus Intermolecular Hydrogen Bonding on Zwitterions: Physical and Electronic Properties.","Journal of the American Chemical Society","2014","136","33","11614","11617","10.1021/ja506803y","","","0.71073","MoKα","","0.0584","0.0378","","","0.0923","0.102","","","","","","1.024","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4123672","23.361","0.009","23.361","0.009","39.239","0.015","90","","90","","90","","21414","14","296","2","296","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Ge128 S257.61 Zn3.2 -","- Ge128 S256 -","- Ge128 S256 -","1","0.03125","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.2863","0.0908","","","0.2298","0.2594","","","","","","0.97","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123958","23.58","","23.58","","43.922","","90","","90","","90","","24421.4","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","(Cd4 In16 S33) (H2 O)20 ((N2 C4 H8) ((N H2) C3 H6)2)2.5","","- Cd4 In16 S33 -","- Cd4 In16 S33 -","- Cd32 In128 S264 -","8","0.25","","Li, H.-L.; Kim, J.; O'Keeffe, M.; Groy, T.L.; Yaghi, O.M.","20 A (Cd4 In16 S35)(14-) supertetrahedral T4 clusters as building units in decorated cristobalite frameworks","Journal of the American Chemical Society","2001","123","","4867","4868","","","","","","","","","","","","","","","","","","","","","","has coordinates","146810","2020-10-21","18:00:00",""
"4123977","23.58","","23.58","","43.922","","90","","90","","90","","24421.4","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","(Zn4 In16 S33) ((N2 C4 H8) ((N H2) C3 H6)2)","","- In16 S33 Zn4 -","- In16 S33 Zn4 -","- In128 S264 Zn32 -","8","0.25","","Wang, C.; Li, Y.-Q.; Feng, P.-Y.; Zheng, N.-F.; Zivkovic, O.; Yang, C.-S.; Bu Xianhui","Three-dimensional superlattices built from (M4 In16 S33)(10-) (M = Mn, Co, Zn, Cd) supertetrahedral clusters","Journal of the American Chemical Society","2001","123","","11506","11507","","","","","","","","","","","","","","","","","","","","","","has coordinates","148196","2020-10-21","18:00:00",""
"4130405","23.1392","0.001","23.1392","0.001","41.5631","0.0019","90","","90","","90","","22253.8","1.7","298","2","298.15","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- In4 O10 S32 Sn16 -","- In4 O10 S32 Sn16 -","- In32 O80 S256 Sn128 -","8","0.25","","Zhang, Xian-Ming; Sarma, Debajit; Wu, Ya-Qin; Wang, Li; Ning, Zhi-Xue; Zhang, Fu-Qiang; Kanatzidis, Mercouri G.","Open-Framework Oxysulfide Based on the Supertetrahedral [In4Sn16O10S34](12-) Cluster and Efficient Sequestration of Heavy Metals.","Journal of the American Chemical Society","2016","138","17","5543","5546","10.1021/jacs.6b02959","","","0.71073","MoKα","","0.1079","0.0444","","","0.0919","0.1056","","","","","","0.794","","","","has coordinates","240846","2020-10-21","18:00:00",""
"4132903","29.569","0.002","29.569","0.002","54.901","0.008","90","","90","","90","","48001","8","296","2","296","2","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- In136 S216 -","- In136 S216 -","- In272 S432 -","2","0.0625","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.2039","0.1061","","","0.3201","0.4106","","","","","","1.047","","","","has coordinates","242778","2020-10-21","18:00:00",""
"4135468","16.9893","0.0012","16.9893","0.0012","22.6602","0.0017","90","","90","","90","","6540.6","0.8","200.02","","200.02","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.9 Bi11 Ca13.94 Lu0.16 -","- Al0.9 Bi11 Ca13.94 Lu0.16 -","- Al7.2 Bi88 Ca111.52 Lu1.28 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0398","0.0303","","","0.0648","0.0681","","","","","","1.072","","","","has coordinates","260315","2021-01-01","00:16:02",""
"4135469","17.0092","0.0012","17.0092","0.0012","22.7001","0.0017","90","","90","","90","","6567.4","0.8","199.99","","199.99","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.89 Bi11 Ca13.95 Lu0.16 -","- Al0.889 Bi11 Ca13.948 Lu0.163 -","- Al7.112 Bi88 Ca111.584 Lu1.304 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0463","0.0318","","","0.0625","0.0668","","","","","","1.053","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135470","17.0115","0.0019","17.0115","0.0019","22.696","0.003","90","","90","","90","","6568","1.4","200","","200","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.88 Bi11 Ca13.95 Lu0.17 -","- Al0.877 Bi11 Ca13.956 Lu0.167 -","- Al7.016 Bi88 Ca111.648 Lu1.336 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0467","0.0331","","","0.0714","0.0766","","","","","","1.039","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135471","17.0165","0.0016","17.0165","0.0016","22.73","0.002","90","","90","","90","","6581.7","1","199.98","","199.98","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.85 Bi11 Ca13.96 Lu0.18 -","- Al0.852 Bi11 Ca13.964 Lu0.184 -","- Al6.816 Bi88 Ca111.712 Lu1.472 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0466","0.0336","","","0.0783","0.0836","","","","","","1.039","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135472","17.026","0.002","17.026","0.002","22.735","0.003","90","","90","","90","","6590.5","1.4","200","","200","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.86 Bi11 Ca13.95 Lu0.19 -","- Al0.855 Bi11 Ca13.952 Lu0.193 -","- Al6.84 Bi88 Ca111.616 Lu1.544 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0408","0.0305","","","0.0685","0.0722","","","","","","1.074","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135473","17.019","0.002","17.019","0.002","22.714","0.003","90","","90","","90","","6579","1.4","200.01","","200.01","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.93 Bi11 Ca13.91 Tm0.17 -","- Al0.927 Bi11 Ca13.908 Tm0.165 -","- Al7.416 Bi88 Ca111.264 Tm1.32 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0499","0.0382","","","0.0967","0.1028","","","","","","1.047","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4135474","17.029","0.002","17.029","0.002","22.689","0.003","90","","90","","90","","6579.5","1.4","200.01","","200.01","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Al Bi11 Ca13.9 La0.1 -","- Al Bi11 Ca13.9 La0.1 -","- Al8 Bi88 Ca111.2 La0.8 -","8","0.25","","Baranets, Sviatoslav; Bobev, Svilen","Caught in Action. The Late Rare Earths Thulium and Lutetium Substituting Aluminum Atoms in the Structure of Ca14AlBi11","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11026","","","0.71073","MoKα","","0.0434","0.0305","","","0.064","0.0684","","","","","","1.068","","","","has coordinates","260315","2021-01-01","00:16:03",""
"4301904","27.958","0.003","27.958","0.003","39.801","0.004","90","","90","","90","","31110","6","153","2","153","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C102 H106 Mn5 N72 O42 Zn4 -","- C102 H78 Mn5 N70 O24 Zn4 -","- C816 H624 Mn40 N560 O192 Zn32 -","8","0.25","","Louise N. Dawe; Konstantin V. Shuvaev; Laurence K. Thompson","Magnetic [nxn] (n= 2-5) Grids by Directed Self-Assembly","Inorganic Chemistry","2009","48","","3323","3341","10.1021/ic801078h","","","0.7107","MoKα","","0.1292","0.1168","","","0.2769","0.2855","","","","","","1.187","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4301905","27.6101","0.0016","27.6101","0.0016","40.319","0.002","90","","90","","90","","30736","3","153","2","153","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C102 H126 Cu4 Mn5 N72 O54 -","- C102 H78 Cu4 Mn5 N72 O54 -","- C816 H624 Cu32 Mn40 N576 O432 -","8","0.25","","Louise N. Dawe; Konstantin V. Shuvaev; Laurence K. Thompson","Magnetic [nxn] (n= 2-5) Grids by Directed Self-Assembly","Inorganic Chemistry","2009","48","","3323","3341","10.1021/ic801078h","","","0.7107","MoKα","","0.1128","0.1009","","","0.2737","0.2837","","","","","","1.219","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303007","24.789","0.004","24.789","0.004","27.611","0.006","90","","90","","90","","16967","5","293","2","293","2","","","","","","","","8","I 41/a c d :2","-I 4bd 2c","142","","","","- C44 H36 Cl2 Cu F6 N4 O0 P -","- C44 H36 Cl2 Cu F6 N4 P -","- C704 H576 Cl32 Cu16 F96 N64 P16 -","16","0.5","","Michael Schmittel; Bice He; Jian Fan; Jan W. Bats; Marianne Engeser; Marc Schlosser; Hans-Jörg Deiseroth","Cap for Copper(I) Ions! Metallosupramolecular Solid and Solution State Structures on the Basis of the Dynamic Tetrahedral [Cu(phenAr2)(py)2]+ Motif","Inorganic Chemistry","2009","48","","8192","8200","10.1021/ic900657w","","","0.71073","MoKα","","0.0999","0.0528","","","0.1473","0.1715","","","","","","0.85","","","","has coordinates","179068","2020-10-21","18:00:00",""
"4303523","7.9858","0.0009","7.9858","0.0009","30.7","0.006","90","","90","","90","","1957.8","0.5","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Bi2.08 Gd5 Si1.92 -","- Bi2.072 Gd5 Si1.928 -","- Bi16.576 Gd40 Si15.424 -","8","0.25","","Volodymyr Svitlyk; Branton J. Campbell; Yurij Mozharivskyj","Gd5Si4-xBix Structures: Novel Slab Sequences Achieved by Turning off the Directionality of Nearest-Slab Interactions","Inorganic Chemistry","2009","48","","10364","10370","10.1021/ic901582j","","","0.71073","MoKα","","0.1361","0.0452","","","0.0394","0.0508","","","","","","0.997","","","","has coordinates","179073","2020-10-21","18:00:00",""
"4304722","24.9901","0.001","24.9901","0.001","27.0502","0.0011","90","0.003","90","","90","","16893","1.2","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C36 H37 F6 N4 O11 P V2 -","- C36 H37 F6 N4 O11 P V2 -","- C576 H592 F96 N64 O176 P16 V32 -","16","0.5","","Pabitra Baran Chatterjee; Debdas Mandal; Anandalok Audhya; Ki-Young Choi; Akira Endo; Muktimoy Chaudhury","Reporting a New Class of Divanadium(V) Compounds Connected by an Unsupported Hydroxo Bridge","Inorganic Chemistry","2008","47","","3709","3718","10.1021/ic702286h","","","0.71073","MoKα","","0.1144","0.0622","","","0.172","0.1948","","","","","","1.013","","","","has coordinates","179085","2020-10-21","18:00:00",""
"4306024","25.5191","0.0012","25.5191","0.0012","50.91","0.005","90","","90","","90","","33154","4","100","2","100","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C18 H21 O8 S6 Zn2 -","- C18 H21 O8 S6 Zn2 -","- C576 H672 O256 S192 Zn64 -","32","1","","Xiao-Ping Zhou; Zhengtao Xu; Matthias Zeller; Allen D. Hunter; Stephen Sin-Yin Chui; Chi-Ming Che","Coordination Networks from a Bifunctional Molecule Containing Carboxyl and Thioether Groups","Inorganic Chemistry","2008","47","","7459","7461","10.1021/ic800952z","","","0.71073","MoKα","","0.1219","0.1037","","","0.3181","0.334","","","","","","1.079","","","","has coordinates,has disorder","179098","2020-10-21","18:00:00",""
"4306293","12.9006","0.0003","12.9006","0.0003","22.9677","0.0007","90","","90","","90","","3822.41","0.17","120","2","120","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C8 H20 I4 O2 U -","- C8 H20 I4 O2 U -","- C64 H160 I32 O16 U8 -","8","0.25","","Christopher D. Carmichael; Natalie A. Jones; Polly L. Arnold","Low-Valent Uranium Iodides: Straightforward Solution Syntheses of UI3 and UI4 Etherates","Inorganic Chemistry","2008","47","","8577","8579","10.1021/ic801138e","","","0.71073","MoKα","","0.0616","0.0429","","","0.0674","0.0733","","","","","","1.164","","","","has coordinates","179100","2020-10-21","18:00:00",""
"4308579","20.8745","0.0008","20.8745","0.0008","17.2929","0.0009","90","","90","","90","","7535.3","0.6","153","2","153","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C30 H38 Cu F10 N12 Nb2 O2 -","- C30 H38 Cu F10 N12 Nb2 O2 -","- C240 H304 Cu8 F80 N96 Nb16 O16 -","8","0.25","","Heather K. Izumi; Janet E. Kirsch; Charlotte L. Stern; Kenneth R. Poeppelmeier","Examining the Out-of-Center Distortion in the [NbOF5]2- Anion","Inorganic Chemistry","2005","44","","884","895","10.1021/ic048766d","","","0.71073","MoKα","","0.047","0.0341","","","0.0818","0.0897","","","","","","1.089","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4309461","13.9938","0.0002","13.9938","0.0002","62.1034","0.0009","90","","90","","90","","12161.5","0.3","180","2","180","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C48 H42 N8 Ni9 O26 S8 -","- C48 H42 N8 Ni9 O26 S8 -","- C384 H336 N64 Ni72 O208 S64 -","8","0.25","","Simon M. Humphrey; Richard A. Mole; Mary McPartlin; Eric J. L. McInnes; Paul T. Wood","Isolated Magnetic Clusters of Co(II) and Ni(II) within 3-Dimensional Organic Frameworks of 6-Mercaptonicotinic Acid: Unique Structural Topologies Based on Selectivity for Hard and Soft Coordination Environments","Inorganic Chemistry","2005","44","","5981","5983","10.1021/ic050768q","","","0.71073","MoKα","","0.058","0.0402","","","0.0927","0.0988","","","","","","1.043","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4316628","17.5819","0.0002","17.5819","0.0002","46.2392","0.0012","90","","90","","90","","14293.6","0.4","298","2","298","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C52 H66 Cl2 N16 Ni4 O20 -","- C52 H66 Cl2 N16 Ni4 O20 -","- C416 H528 Cl16 N128 Ni32 O160 -","8","0.25","","Anandalok Audhya; Manoranjan Maity; Kisholoy Bhattacharya; Rodolphe Clérac; Muktimoy Chaudhury","Tri- and Tetranuclear Nickel(II) Inverse Metallacrown Complexes Involving Oximato Oxygen Linkers: Role of the Guest Anion (Oxo versus Alkoxo) in Controlling the Size of the Ring Topology","Inorganic Chemistry","2010","49","","9026","9035","10.1021/ic101273y","","","0.71073","MoKα","","0.0665","0.0408","","","0.1257","0.1496","","","","","","1.071","","","","has coordinates","179246","2020-10-21","18:00:00",""
"4316982","21.818","0.003","21.818","0.003","38.66","0.008","90","","90","","90","","18403","5","298","2","298","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C272 Cl32 N48 O96 Zn16 -","- C272 Cl32 N48 O96 Zn16 -","- C544 Cl64 N96 O192 Zn32 -","2","0.0625","","Kazuhiro Uemura; Yukari Yamasaki; Fumiaki Onishi; Hidetoshi Kita; Masahiro Ebihara","Two-Step Adsorption on Jungle-Gym-Type Porous Coordination Polymers: Dependence on Hydrogen-Bonding Capability of Adsorbates, Ligand-Substituent Effect, and Temperature","Inorganic Chemistry","2010","49","","10133","10143","10.1021/ic101517t","","","0.71075","MoKα","","0.1284","0.0779","","","0.2133","0.2415","","","","","","1.039","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4320285","18.0889","0.0009","18.0889","0.0009","15.4579","0.0009","90","","90","","90","","5058","0.5","200","3","200","3","","","","","","","provided by O. Ruscitti","4","I 41/a c d :2","-I 4bd 2c","142","TeF","","","- C12 H6 F6 Te -","- C12 H6 F6 Te -","- C192 H96 F96 Te16 -","16","0.5","","Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Kurt Polborn; Oliver P. Ruscitti","Spectroscopic and Structural Studies on Polyfluorophenyl Tellurides and Tellurium(IV) Dihalides","Inorganic Chemistry","2001","40","","5169","5176","10.1021/ic010149r","","","0.71073","MoKα","","0.0212","0.0174","","","0.0398","0.041","","","","","","1.054","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4320653","27.269","0.003","27.269","0.003","15.498","0.002","90","","90","","90","","11524","2","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","bis{1,5-dimethyl-3(6-methyl-2-pyridn-2-yl)-6-oxo-verdazyl}copper(I) hexafluorophosphate","","","- C20 H24 Cu F6 N10 O2 P -","- C20 H24 Cu F6 N10 O2 P -","- C320 H384 Cu16 F96 N160 O32 P16 -","16","0.5","","Tosha M. Barclay; Robin G. Hicks; Martin T. Lemaire; Laurence K. Thompson","Weak Magnetic Coupling of Coordinated Verdazyl Radicals through Diamagnetic Metal Ions. Synthesis, Structure, and Magnetism of a Homoleptic Copper(I) Complex","Inorganic Chemistry","2001","40","","6521","6524","10.1021/ic0105664","","","0.71073","MoKα","","0.1007","0.0541","","","0.1516","0.1864","","","","","","1.034","","","","has coordinates","179309","2020-10-21","18:00:00",""
"4323644","15.551","0.0009","15.551","0.0009","48.938","0.003","90","","90","","90","","11834.9","1.2","298","","298","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C50 H50 Cl2 Cu4 N8 O18 -","- C50 H56 Cl2 Cu4 N8 O18 -","- C400 H448 Cl16 Cu32 N64 O144 -","8","0.25","","Vasilis Tangoulis; Catherine P. Raptopoulou; Sofia Paschalidou; Alexandros E. Tsohos; Evangelos G. Bakalbassis; Aris Terzis; Spyros P. Perlepes","The Case of a Cu4 Rhombus in Molecular Magnetism: Preparation, Crystal Structure, and Magnetic Properties of [Cu4(dpk.CH3O)4(CH3O)2](ClO4)2 (dpk.CH3OH = Monomethylated Diol of Di-2-pyridyl Ketone), an Example of a Cluster Allowing the Determination of All Its Exchange Parameters, Ranging from Very Strong to Very Weak","Inorganic Chemistry","1997","36","","5270","5277","10.1021/ic970332d","","","0.7107","MoKα","","0.0915","0.0581","","0.175","0.1453","","","","1.16","1.225","1.225","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4326218","15.7482","0.0009","15.7482","0.0009","21.281","0.002","90","","90","","90","","5277.8","0.7","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C14 H9 Cu2 N5 -","- C14 H9 Cu2 N5 -","- C224 H144 Cu32 N80 -","16","0.5","","Shun-Ze Zhan; Mian Li; Xiao-Ping Zhou; Jia Ni; Xiao-Chun Huang; Dan Li","From Simple to Complex: Topological Evolution and Luminescence Variation in a Copper(I) Pyridylpyrazolate System Tuned via Second Ligating Spacers","Inorganic Chemistry","2011","50","","8879","8892","10.1021/ic200854s","","","0.71073","MoKα","","0.0234","0.0217","","","0.0569","0.0577","","","","","","1.057","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326408","14.54","0.002","14.54","0.002","49.916","0.012","90","","90","","90","","10553","3","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C21 H25 Co N6 O8 Zn -","- C21 H25 Co N6 O8 Zn -","- C336 H400 Co16 N96 O128 Zn16 -","16","0.5","","Sarvendra Kumar; B. D. Gupta","Intriguing Two-Dimensional Assembly of Cobaloxime with a [Zn2(OOCR)4] Center","Inorganic Chemistry","2011","50","","9207","9209","10.1021/ic201435j","","","0.71073","MoKα","","0.051","0.0437","","","0.1089","0.1152","","","","","","1.08","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326410","10.8525","0.0006","10.8525","0.0006","19.2486","0.0011","90","","90","","90","","2267","0.2","296","2","296","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","Neptunium orthothiophosphate","","","- Np P S4 -","- Np P S4 -","- Np16 P16 S64 -","16","0.5","","Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers","Neptunium Thiophosphate Chemistry: Intermediate Behavior between Uranium and Plutonium","Inorganic Chemistry","2011","50","","9688","9695","10.1021/ic201493w","","","0.71073","MoKα","","0.0243","0.0219","","","0.0736","0.0822","","","","","","2.527","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4329699","16.5885","0.0013","16.5885","0.0013","21.976","0.0017","90","","90","","90","","6047.3","0.8","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ca2.196 Mn Sb11 Yb11.804 -","- Ca2.196 Mn Sb11 Yb11.804 -","- Ca17.568 Mn8 Sb88 Yb94.432 -","8","0.25","","Catherine A. Uvarov; Francisco Ortega-Alvarez; Susan M. Kauzlarich","Enhanced High-Temperature Thermoelectric Performance of Yb14-xCaxMnSb11","Inorganic Chemistry","2012","51","","7617","7624","10.1021/ic300567c","","","0.71073","MoKα","","0.0304","0.0242","","","0.0612","0.0635","","","","","","1.209","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329700","16.5853","0.0013","16.5853","0.0013","22.0353","0.0018","90","","90","","90","","6061.3","0.8","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ca4.5 Mn Sb11 Yb9.5 -","- Ca4.498 Mn Sb11 Yb9.502 -","- Ca35.984 Mn8 Sb88 Yb76.016 -","8","0.25","","Catherine A. Uvarov; Francisco Ortega-Alvarez; Susan M. Kauzlarich","Enhanced High-Temperature Thermoelectric Performance of Yb14-xCaxMnSb11","Inorganic Chemistry","2012","51","","7617","7624","10.1021/ic300567c","","","0.71073","MoKα","","0.0685","0.0344","","","0.0684","0.0798","","","","","","1.187","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329701","16.5888","0.0012","16.5888","0.0012","22.0682","0.0017","90","","90","","90","","6072.9","0.8","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ca5.95 Mn Sb11 Yb8.05 -","- Ca5.952 Mn Sb11 Yb8.048 -","- Ca47.616 Mn8 Sb88 Yb64.384 -","8","0.25","","Catherine A. Uvarov; Francisco Ortega-Alvarez; Susan M. Kauzlarich","Enhanced High-Temperature Thermoelectric Performance of Yb14-xCaxMnSb11","Inorganic Chemistry","2012","51","","7617","7624","10.1021/ic300567c","","","0.71073","MoKα","","0.0706","0.0337","","","0.0677","0.0814","","","","","","1.169","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329702","16.573","0.003","16.573","0.003","22.141","0.004","90","","90","","90","","6081.3","1.9","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ca9.544 Mn Sb11 Yb4.456 -","- Ca9.544 Mn Sb11 Yb4.456 -","- Ca76.352 Mn8 Sb88 Yb35.648 -","8","0.25","","Catherine A. Uvarov; Francisco Ortega-Alvarez; Susan M. Kauzlarich","Enhanced High-Temperature Thermoelectric Performance of Yb14-xCaxMnSb11","Inorganic Chemistry","2012","51","","7617","7624","10.1021/ic300567c","","","0.71073","MoKα","","0.1495","0.059","","","0.1394","0.1898","","","","","","1.188","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331030","20.894","0.003","20.894","0.003","73.811","0.015","90","","90","","90","","32223","9","100","2","100","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","SU-67","","","- C20 H68 Ge25 N8 O60 -","- C16.33 H55.252 Ge25 N7.332 O60 -","- C261.28 H884.032 Ge400 N117.312 O960 -","16","0.5","","Huijuan Yue; Maxim V. Peskov; Junliang Sun; Xiaodong Zou","Complex Open-Framework Germanate Built by 8-Coordinated Ge10 Clusters","Inorganic Chemistry","2012","51","","12260","12265","10.1021/ic301449y","","","0.9077","synchrotron","","0.1502","0.0828","","","0.1458","0.1578","","","","","","1.014","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4334268","41.4454","0.0012","41.4454","0.0012","32.834","0.003","90","","90","","90","","56400","6","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C111 H97 Cd3 Fe2 N13 O28 -","- C96 H48 Cd3 Fe2 N8 O23 -","- C1536 H768 Cd48 Fe32 N128 O368 -","16","0.5","","Chao Zou; Tianfu Zhang; Ming-Hua Xie; Lijun Yan; Guo-Qiang Kong; Xiu-Li Yang; An Ma; Chuan-De Wu","Four Metalloporphyrinic Frameworks as Heterogeneous Catalysts for Selective Oxidation and Aldol Reaction","Inorganic Chemistry","2013","52","","3620","3626","10.1021/ic3019502","","","0.71073","MoKα","","0.2424","0.1418","","","0.2426","0.2653","","","","","","1.038","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4337945","12.633","0.003","12.633","0.003","25.427","0.007","90","","90","","90","","4058","1.8","100","2","100","2","","","","","","","Cava Lab Princeton University","2","I 41/a c d :2","-I 4bd 2c","142","Cadmium Arsenide","","","- As2 Cd3 -","- As2 Cd3 -","- As64 Cd96 -","32","1","","Ali, Mazhar N.; Gibson, Quinn; Jeon, Sangjun; Zhou, Brian B.; Yazdani, Ali; Cava, R. J.","The Crystal and Electronic Structures of Cd3As2, the Three-Dimensional Electronic Analogue of Graphene.","Inorganic chemistry","2014","53","8","4062","4067","10.1021/ic403163d","","x-ray","0.71073","MoKα","","0.048","","","0.04","","0.0401","","","1.04","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4338409","31.4152","0.0015","31.4152","0.0015","29.3524","0.0014","90","","90","","90","","28968","2","173","2","173","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C60 H60 F6 N10 O10 Pd4 S2 -","- C60 H60 F6 N10 O10 Pd4 S2 -","- C960 H960 F96 N160 O160 Pd64 S32 -","16","0.5","","Ghisolfi, Alessio; Waldvogel, Audrey; Routaboul, Lucie; Braunstein, Pierre","Reversible switching of the coordination modes of a pyridine-functionalized quinonoid zwitterion; its di- and tetranuclear palladium complexes.","Inorganic chemistry","2014","53","11","5515","5526","10.1021/ic500194y","","","0.71073","MoKα","","0.118","0.078","","","0.1802","0.2013","","","","","","1.089","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4338494","15.9325","0.0006","15.9325","0.0006","25.3047","0.001","90","","90","","90","","6423.5","0.4","296","2","296","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C12 H16 Ag N5 O7 -","- C12 H16 Ag N5 O7 -","- C192 H256 Ag16 N80 O112 -","16","0.5","","Wu, Jing-Yun; Liu, Yu-Chiao; Chao, Tzu-Ching","From 1D Helix to 0D Loop: Nitrite Anion Induced Structural Transformation Associated with Unexpected N-Nitrosation of Amine Ligand.","Inorganic chemistry","2014","53","11","5581","5588","10.1021/ic500306y","","","0.71073","MoKα","","0.0308","0.0254","","","0.0628","0.0662","","","","","","1.062","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338570","15.2281","0.0002","15.2281","0.0002","25.0483","0.0004","90","","90","","90","","5808.58","0.14","90","2","90","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","[Au{c(NHCH3)(NHCH2CH2NH2)}2]Cl","","","- C8 H22 Au Cl N6 -","- C8 H22 Au Cl N6 -","- C128 H352 Au16 Cl16 N96 -","16","0.5","","Rios, Daniel; Olmstead, Marilyn M.; Balch, Alan L.","Blue-, Green- and Non-luminescent Crystals from One Reaction. Isolation and Structural Characterization of a Series of Gold(I)-Siver(I) Heterometallic Complexes Utilizing a Gold Carbene Metalloligand Containing Free Amino Groups","Inorganic chemistry","2009","48","12","5279","5287","10.1021/ic900243v","","","0.71073","MoKα","","0.0489","0.0272","","","0.0638","0.0759","","","","","","1.094","","","","has coordinates","209995","2020-10-21","18:00:00",""
"4339062","21.0082","0.0009","21.0082","0.0009","40.4","0.003","90","","90","","90","","17830.3","1.7","273","2","273","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C40 H58 As8 Co2 N16 O43 V14 -","- C40 H56 As8 Co2 N16 O43 V14 -","- C320 H448 As64 Co16 N128 O344 V112 -","8","0.25","","Dong, Bao-xia; Peng, Jun; Gómez-García, Carlos J; Benmansour, Samia; Jia, Heng-qing; Hu, Ning-hai","High-dimensional assembly depending on polyoxoanion templates, metal ion coordination geometries, and a flexible bis(imidazole) ligand.","Inorganic chemistry","2007","46","15","5933","5941","10.1021/ic070007i","","","0.71073","MoKα","","0.0732","0.0476","","","0.134","0.1436","","","","","","1.043","","","","has coordinates","179493","2020-10-21","18:00:00",""
"4339063","20.9245","0.0004","20.9245","0.0004","40.6114","0.0016","90","","90","","90","","17781.1","0.8","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C40 H58 As8 N16 Ni2 O43 V14 -","- C40 H56 As8 N16 Ni2 O43 V14 -","- C320 H448 As64 N128 Ni16 O344 V112 -","8","0.25","","Dong, Bao-xia; Peng, Jun; Gómez-García, Carlos J; Benmansour, Samia; Jia, Heng-qing; Hu, Ning-hai","High-dimensional assembly depending on polyoxoanion templates, metal ion coordination geometries, and a flexible bis(imidazole) ligand.","Inorganic chemistry","2007","46","15","5933","5941","10.1021/ic070007i","","","0.71073","MoKα","","0.0904","0.0527","","","0.1461","0.168","","","","","","1.028","","","","has coordinates","179493","2020-10-21","18:00:00",""
"4339255","42.9658","0.0007","42.9658","0.0007","29.3862","0.0009","90","","90","","90","","54249","2","98","2","98","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C48 H88 N8 Ni2 O34.625 P2 -","- C48 H32 N8 Ni2 O34.625 P2 -","- C1536 H1024 N256 Ni64 O1108 P64 -","32","1","","Ikotun, Oluwatayo F.; Armatus, N. Gabriel; Julve, Miguel; Kruger, Paul E.; Lloret, Francesc; Nieuwenhuyzen, Mark; Doyle, Robert P.","Synthesis and structural and magnetic characterization of {[(phen)(2)Ni](2)(micro-P(2)O(7))} . 27H(2)O and {[(phen)(2)Mn](2)(micro-P(2)O(7))} . 13H(2)O: rare examples of coordination complexes with the pyrophosphate ligand.","Inorganic chemistry","2007","46","16","6668","6674","10.1021/ic700439a","","","0.71073","MoKα","","0.1661","0.1063","","","0.2784","0.3496","","","","","","1.031","","","","has coordinates,has disorder","179495","2020-10-21","18:00:00",""
"4340086","28.737","0.003","28.737","0.003","69.398","0.01","90","","90","","90","","57310","12","180","2","180","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C36 H30 Ag2 N8 O6 -","- C36 H30 Ag2 N8 O6 -","- C1728 H1440 Ag96 N384 O288 -","48","1.5","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.82657","synchrotron","","0.0673","0.0549","","","0.1575","0.1641","","","","","","1.049","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340091","28.557","0.014","28.557","0.014","23.039","0.009","90","","90","","90","","18788","15","180","2","180","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C38 H34 Ag2 N8 O6 -","- C38 H34 Ag2 N8 O6 -","- C608 H544 Ag32 N128 O96 -","16","0.5","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.82657","synchrotron","","0.0401","0.0382","","","0.0975","0.0987","","","","","","1.119","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340098","28.661","0.0016","28.661","0.0016","22.9776","0.0012","90","","90","","90","","18875","1.8","180","2","180","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C40 H38 Ag2 N8 O6 -","- C40 H38 Ag2 N8 O6 -","- C640 H608 Ag32 N128 O96 -","16","0.5","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.71073","MoKα","","0.0644","0.0534","","","0.1444","0.1495","","","","","","1.131","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4341018","33.5926","0.0007","33.5926","0.0007","14.4627","0.0004","90","","90","","90","","16320.6","0.7","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","Bis[di(pyrazol-1-yl)dihydridoborate][dipyrido[3,2-a:2',3'-c]- (6,7,8,9-tetrahydro)phenazine] iron(II) di-isopropylether solvate","","- C36 H44 B2 Fe N12 O -","- C30 H30 B2 Fe N12 -","- C480 H480 B32 Fe16 N192 -","16","0.5","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","1.54184","CuKα","","0.109","0.085","","","0.2574","0.2851","","","","","","1.076","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341912","17.6274","0.0003","17.6274","0.0003","34.4966","0.0005","90","","90","","90","","10719","0.3","291","2","291","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C32 H20 F6 Ir N4 -","- C32 H20 F6 Ir N4 -","- C512 H320 F96 Ir16 N64 -","16","0.5","","Li, Tian-Yi; Liang, Xiao; Zhou, Liang; Wu, Chen; Zhang, Song; Liu, Xuan; Lu, Guang-Zhao; Xue, Li-Sha; Zheng, You-Xuan; Zuo, Jing-Lin","N-Heterocyclic Carbenes: Versatile Second Cyclometalated Ligands for Neutral Iridium(III) Heteroleptic Complexes.","Inorganic chemistry","2015","54","1","161","173","10.1021/ic501949h","","","0.71073","MoKα","","0.0501","0.0429","","","0.1001","0.1011","","","","","","1.054","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341913","17.623","0.0003","17.623","0.0003","34.497","0.0012","90","","90","","90","","10713.7","0.5","291","2","291","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C32 H21 F4 Ir N4 -","- C32 H21 F4 Ir N4 -","- C512 H336 F64 Ir16 N64 -","16","0.5","","Li, Tian-Yi; Liang, Xiao; Zhou, Liang; Wu, Chen; Zhang, Song; Liu, Xuan; Lu, Guang-Zhao; Xue, Li-Sha; Zheng, You-Xuan; Zuo, Jing-Lin","N-Heterocyclic Carbenes: Versatile Second Cyclometalated Ligands for Neutral Iridium(III) Heteroleptic Complexes.","Inorganic chemistry","2015","54","1","161","173","10.1021/ic501949h","","","0.71073","MoKα","","0.0503","0.0448","","","0.1102","0.1114","","","","","","1.015","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4342773","31.026","0.0003","31.026","0.0003","20.8832","0.0003","90","","90","","90","","20102.4","0.4","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C50 H16 F20 N2 Pb Pt2 -","- C50 H16 F20 N2 Pb Pt2 -","- C800 H256 F320 N32 Pb16 Pt32 -","16","0.5","","Forniés, Juan; Giménez, Nora; Ibáñez, Susana; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa","An Extended Chain and Trinuclear Complexes Based on Pt(II)-M (M = Tl(I), Pb(II)) Bonds: Contrasting Photophysical Behavior.","Inorganic chemistry","2015","54","9","4351","4363","10.1021/acs.inorgchem.5b00083","","","0.71073","MoKα","","0.0603","0.031","","","0.0581","0.0625","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4345383","17.5691","0.0014","17.5691","0.0014","23.399","0.004","90","","90","","90","","7222.6","1.5","296","2","296","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Mg Sb11 Sr14 -","- Mg Sb11 Sr14 -","- Mg8 Sb88 Sr112 -","8","0.25","","Tan, Wen-Jie; Liu, Yin-Tu; Zhu, Min; Zhu, Tie-Jun; Zhao, Xin-Bing; Tao, Xu-Tang; Xia, Sheng-Qing","Structure, Magnetism, and Thermoelectric Properties of Magnesium-Containing Antimonide Zintl Phases Sr14MgSb11 and Eu14MgSb11.","Inorganic chemistry","2017","56","3","1646","1654","10.1021/acs.inorgchem.6b02724","","","0.71073","MoKα","","0.0615","0.0354","","","0.0646","0.0721","","","","","","1.061","","","","has coordinates","192945","2020-10-21","18:00:00",""
"4345384","17.3442","0.0011","17.3442","0.0011","22.981","0.003","90","","90","","90","","6913.2","1.1","296","2","296","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Eu14 Mg Sb11 -","- Eu14 Mg Sb11 -","- Eu112 Mg8 Sb88 -","8","0.25","","Tan, Wen-Jie; Liu, Yin-Tu; Zhu, Min; Zhu, Tie-Jun; Zhao, Xin-Bing; Tao, Xu-Tang; Xia, Sheng-Qing","Structure, Magnetism, and Thermoelectric Properties of Magnesium-Containing Antimonide Zintl Phases Sr14MgSb11 and Eu14MgSb11.","Inorganic chemistry","2017","56","3","1646","1654","10.1021/acs.inorgchem.6b02724","","","0.71073","MoKα","","0.0654","0.0357","","","0.0615","0.0706","","","","","","1.008","","","","has coordinates","192946","2020-10-21","18:00:00",""
"4345756","25.994","0.017","25.994","0.017","33.868","0.017","90","","90","","90","","22884","2","223","2","223","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C60 H88 B4 Cu12 N24 S16 W4 -","- C60 H88 B4 Cu12 N24 S16 W4 -","- C480 H704 B32 Cu96 N192 S128 W32 -","8","0.25","","Chen, Qiu-Fang; Zhao, Xin; Liu, Quan; Jia, Ji-Dong; Qiu, Xiao-Ting; Song, Ying-Lin; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Tungsten(VI)-Copper(I)-Sulfur Cluster-Supported Metal-Organic Frameworks Bridged by in Situ Click-Formed Tetrazolate Ligands.","Inorganic chemistry","2017","56","10","5669","5679","10.1021/acs.inorgchem.7b00261","","","0.71073","MoKα","","0.0673","0.0353","","","0.0739","0.0946","","","","","","1.219","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4346879","40.424","0.006","40.424","0.006","14.838","0.003","90","","90","","90","","24247","7","300","","300","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H24 Cl2 Cu N6 O8.38 -","- C24 H24 Cl2 Cu N6 O8.375 -","- C768 H768 Cl64 Cu32 N192 O268 -","32","1","","Hall, Nikita; Orio, Maylis; Gennari, Marcello; Wills, Christopher; Molton, Florian; Philouze, Christian; Jameson, Geoffrey B.; Halcrow, Malcolm A.; Blackman, Allan G.; Duboc, Carole","Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex.","Inorganic chemistry","2016","55","4","1497","1504","10.1021/acs.inorgchem.5b02287","","x-ray","0.71073","MoKα","","0.097","0.0614","","","0.1646","0.2059","","","","","","1.06","","","","has coordinates,has disorder","232039","2020-10-21","18:00:00",""
"4346880","40.33","0.006","40.33","0.006","14.747","0.003","90","","90","","90","","23986","7","200","","200","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H24 Cl2 Cu N6 O8.38 -","- C24 H24 Cl2 Cu N6 O8.375 -","- C768 H768 Cl64 Cu32 N192 O268 -","32","1","","Hall, Nikita; Orio, Maylis; Gennari, Marcello; Wills, Christopher; Molton, Florian; Philouze, Christian; Jameson, Geoffrey B.; Halcrow, Malcolm A.; Blackman, Allan G.; Duboc, Carole","Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex.","Inorganic chemistry","2016","55","4","1497","1504","10.1021/acs.inorgchem.5b02287","","x-ray","0.71073","MoKα","","0.0933","0.0629","","","0.1639","0.202","","","","","","1.074","","","","has coordinates,has disorder","232040","2020-10-21","18:00:00",""
"4346882","39.919","0.006","39.919","0.006","14.444","0.003","90","","90","","90","","23017","7","100","","100","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H24 Cl2 Cu N6 O8.38 -","- C24 H24 Cl2 Cu N6 O8.375 -","- C768 H768 Cl64 Cu32 N192 O268 -","32","1","","Hall, Nikita; Orio, Maylis; Gennari, Marcello; Wills, Christopher; Molton, Florian; Philouze, Christian; Jameson, Geoffrey B.; Halcrow, Malcolm A.; Blackman, Allan G.; Duboc, Carole","Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex.","Inorganic chemistry","2016","55","4","1497","1504","10.1021/acs.inorgchem.5b02287","","x-ray","0.71073","MoKα","","0.1199","0.076","","","0.1907","0.2464","","","","","","1.105","","","","has coordinates,has disorder","232042","2020-10-21","18:00:00",""
"4347125","24.1748","0.0005","24.1748","0.0005","45.7058","0.0011","90","","90","","90","","26711.4","1","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C92 H56 B4 Br4 F16 Fe4 N24 -","- C92 H56 B4 Br4 F16 Fe4 N24 -","- C736 H448 B32 Br32 F128 Fe32 N192 -","8","0.25","","Steinert, Markus; Schneider, Benjamin; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Spin-State Versatility in a Series of Fe4 [2 ×2] Grid Complexes: Effects of Counteranions, Lattice Solvent, and Intramolecular Cooperativity.","Inorganic chemistry","2016","55","5","2363","2373","10.1021/acs.inorgchem.5b02762","","","0.71073","MoKα","","0.1105","0.0812","","","0.1805","0.1963","","","","","","1.102","","","","has coordinates,has disorder","232178","2020-10-21","18:00:00",""
"4347390","24.7367","0.0004","24.7367","0.0004","36.3344","0.0007","90","","90","","90","","22233.2","0.7","133","2","133","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C80 H60 B6 Co4 F24 N32 -","- C80 H60 B6 Co4 F24 N32 -","- C640 H480 B48 Co32 F192 N256 -","8","0.25","","Tong, Jin; Demeshko, Serhiy; John, Michael; Dechert, Sebastian; Meyer, Franc","Redox-Induced Single-Molecule Magnetism in Mixed-Valent [2 ×2] Co4 Grid Complexes.","Inorganic chemistry","2016","55","9","4362","4372","10.1021/acs.inorgchem.6b00106","","","0.71073","MoKα","","0.0818","0.0738","","","0.1527","0.1569","","","","","","1.174","","","","has coordinates,has disorder","232300","2020-10-21","18:00:00",""
"4349451","24.031","0.003","24.031","0.003","45.282","0.009","90","","90","","90","","26150","7","100","2","100","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","{Na}{(PNP)Ni(CO)}","","","- C62 H96 N2 Na2 Ni2 O4 P4 -","- C62 H96 N2 Na2 Ni2 O4 P4 -","- C992 H1536 N32 Na32 Ni32 O64 P64 -","16","0.5","","Yoo, Changho; Lee, Yunho","Formation of a tetranickel octacarbonyl cluster from the CO2 reaction of a zero-valent nickel monocarbonyl species","Inorganic Chemistry Frontiers","2016","3","6","849","","10.1039/C6QI00011H","","","0.7","synchrotron","","0.0308","0.0306","","","0.0871","0.0874","","","","","","1.049","","","","has coordinates","234787","2020-10-21","18:00:00",""
"4350529","28.6782","0.0014","28.6782","0.0014","6.527","0.0006","90","","90","","90","","5368.1","0.6","98","2","90","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C2 H2.25 Br1.25 Cu2.5 N3 O0.25 -","- C2 H2 Br0.25 Cu1.5 N3 -","- C64 H64 Br8 Cu48 N96 -","32","1","","Ouellette, Wayne; Prosvirin, Andrey V.; Chieffo, Vincent; Dunbar, Kim R.; Hudson, Bruce; Zubieta, Jon","Solid-state coordination chemistry of the Cu/triazolate/X system (X = F-, Cl-, Br-, I-, OH-, and SO4(2-)).","Inorganic chemistry","2006","45","23","9346","9366","10.1021/ic061102e","","x-ray","0.71073","MoKα","","0.0702","0.0601","","","0.119","0.1204","","","","","","1.088","","","","has coordinates","239924","2020-10-21","18:00:00",""
"4500987","16.272","0.005","16.272","0.005","29.936","0.005","90","0.005","90","0.005","90","0.005","7926","4","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C45 H28 Co2 N4 O20 -","- C45 H20 Co2 N4 O20 -","- C360 H160 Co16 N32 O160 -","8","0.25","","Guo, Jiao; Ma, Jian-Fang; Liu, Bo; Kan, Wei-Qiu; Yang, Jin","A Series of 2D and 3D Metal‒Organic Frameworks Based on a Flexible Tetrakis(4-pyridyloxymethylene)methane Ligand and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2011","11","8","3609","","10.1021/cg200581w","","","0.71069","MoKα","","0.0888","0.0365","","","0.0711","0.0758","","","","","","0.788","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4501015","22.6129","0.0003","22.6129","0.0003","45.2251","0.0006","90","","90","","90","","23125.5","0.5","173","2","173","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C68 H76 Co2 N4 O16 S4 -","- C68 H76 Co2 N4 O16 S4 -","- C544 H608 Co16 N32 O128 S32 -","8","0.25","","Kim, Kihwan; Park, Sunhong; Park, Ki-Min; Lee, Shim Sung","Thiacalix[4]arene-Based Three-Dimensional Coordination Polymers Incorporating Neutral Bridging Coligands","Crystal Growth & Design","2011","11","9","4059","","10.1021/cg2006315","","","0.71073","MoKα","","0.0723","0.0465","","","0.1215","0.128","","","","","","1.014","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4501401","36.4209","0.0018","36.4209","0.0018","16.7366","0.0016","90","","90","","90","","22201","3","291","2","291","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C84 H86 Mo2 N28 O9 Sm2 -","- C84 H86 Mo2 N28 O9 Sm2 -","- C672 H688 Mo16 N224 O72 Sm16 -","8","0.25","","Qian, Su-Yan; Zhou, Hu; Yuan, Ai-Hua; Song, You","Syntheses, Structures, and Magnetic Properties of Five Novel Octacyanometallate-Based Lanthanide Complexes with Helical Chains","Crystal Growth & Design","2011","11","12","5676","","10.1021/cg201217a","","","0.71073","MoKα","","0.0461","0.034","","","0.0996","0.1053","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501402","37.021","0.002","37.021","0.002","15.8242","0.0018","90","","90","","90","","21688","3","291","2","291","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C84 H86 Eu2 Mo2 N28 O9 -","- C84 H86 Eu2 Mo2 N28 O9 -","- C672 H688 Eu16 Mo16 N224 O72 -","8","0.25","","Qian, Su-Yan; Zhou, Hu; Yuan, Ai-Hua; Song, You","Syntheses, Structures, and Magnetic Properties of Five Novel Octacyanometallate-Based Lanthanide Complexes with Helical Chains","Crystal Growth & Design","2011","11","12","5676","","10.1021/cg201217a","","","0.71073","MoKα","","0.0532","0.04","","","0.1149","0.1207","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501823","36.267","0.0004","36.267","0.0004","15.7233","0.0002","90","","90","","90","","20680.8","0.4","123","2","123","2","","","","","","","synthesis as described","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C51 H75 N13 O -","- C51 H75 N13 O -","- C816 H1200 N208 O16 -","16","0.5","","Raatikainen, Kari; Rissanen, Kari","Modulation of N···I and+N−H···Cl−···I Halogen Bonding: Folding, Inclusion, and Self-Assembly of Tri- and Tetraamino Piperazine Cyclophanes","Crystal Growth & Design","2010","10","8","3638","","10.1021/cg100516t","","x-ray","0.71073","MoKα","","0.1031","0.0633","","","0.1401","0.1659","","","","","","1.058","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501983","18.4905","0.0017","18.4905","0.0017","61.775","0.008","90","","90","","90","","21121","4","173","2","173","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C54 H44 Co2 N9 O13 -","- C54 H44 Co2 N9 O13 -","- C864 H704 Co32 N144 O208 -","16","0.5","","Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-Qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Photochemical Properties of Six New Metal−Organic Frameworks Based on Aromatic Dicarboxylate Acids and V-Shaped Imidazole Ligands","Crystal Growth & Design","2010","10","9","4135","","10.1021/cg1008208","","","0.71073","MoKα","","0.1116","0.0775","","","0.1767","0.1942","","","","","","1.102","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4501984","18.903","0.003","18.903","0.003","62.293","0.009","90","","90","","90","","22259","6","273","2","273","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C110 H97 Cd4 N18 O28 -","- C110 H98 Cd4 N18 O28 -","- C880 H784 Cd32 N144 O224 -","8","0.25","","Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-Qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Photochemical Properties of Six New Metal−Organic Frameworks Based on Aromatic Dicarboxylate Acids and V-Shaped Imidazole Ligands","Crystal Growth & Design","2010","10","9","4135","","10.1021/cg1008208","","","0.71073","MoKα","","0.0769","0.0619","","","0.1693","0.1815","","","","","","1.008","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501985","18.3863","0.0017","18.3863","0.0017","61.935","0.012","90","","90","","90","","20938","5","173","2","173","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C54 H44 N9 O13 Zn2 -","- C54 H44 N9 O13 Zn2 -","- C864 H704 N144 O208 Zn32 -","16","0.5","","Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-Qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Photochemical Properties of Six New Metal−Organic Frameworks Based on Aromatic Dicarboxylate Acids and V-Shaped Imidazole Ligands","Crystal Growth & Design","2010","10","9","4135","","10.1021/cg1008208","","","0.71073","MoKα","","0.1271","0.0635","","","0.1588","0.1815","","","","","","1.009","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4503923","13.9318","0.0003","13.9318","0.0003","29.5213","0.0012","90","","90","","90","","5729.9","0.3","566","2","566","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","C16 H28 N12 Ni4 O8","","","- C4 H7 N3 Ni O2 -","- C4 H7 N3 Ni O2 -","- C128 H224 N96 Ni32 O64 -","32","1","","Lin, Zuodong; Li, Zhifeng; Zhang, Hongjie","Syntheses, Structures, and Magnetic Properties of Two Novel Three-Dimensional Frameworks Built from M4O4Cubanes and Dicyanamide Bridges","Crystal Growth & Design","2007","7","4","589","","10.1021/cg060468z","","","0.71073","MoKα","","0.0329","0.0308","","","0.081","0.0824","","","","","","1.07","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503924","14.053","0.0004","14.053","0.0004","29.781","0.002","90","","90","","90","","5881.4","0.5","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","C12 H28 N12 Co4 O8","","","- C4 H7 Co N3 O2 -","- C4 H4 Co N3 O2 -","- C128 H128 Co32 N96 O64 -","32","1","","Lin, Zuodong; Li, Zhifeng; Zhang, Hongjie","Syntheses, Structures, and Magnetic Properties of Two Novel Three-Dimensional Frameworks Built from M4O4Cubanes and Dicyanamide Bridges","Crystal Growth & Design","2007","7","4","589","","10.1021/cg060468z","","","0.71073","MoKα","","0.0841","0.0544","","","0.118","0.1325","","","","","","1.067","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4504197","16.751","0.002","16.751","0.002","40.752","0.012","90","","90","","90","","11435","4","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C14 H14 Cu N3 O4.5 -","- C14 H14 Cu N3 O4.5 -","- C448 H448 Cu32 N96 O144 -","32","1","","Montney, Matthew R.; Mallika Krishnan, Subhashree; Patel, Niral M.; Supkowski, Ronald M.; LaDuca, Robert L.","Divalent Metal Succinate/4,4‘-Dipyridylamine Extended Solids: From Helical Chains to Diverse Three-Dimensional Networks Featuring Double, Quadruple, or Self-Interpenetration","Crystal Growth & Design","2007","7","6","1145","","10.1021/cg070008l","","","0.71073","MoKα","","0.0911","0.0595","","","0.1273","0.1428","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504324","24.8649","0.0006","24.8649","0.0006","14.9468","0.0007","90","","90","","90","","9241.1","0.5","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C10 H15 N4 O0.5 -","- C10 H15 N4 O0.5 -","- C320 H480 N128 O16 -","32","1","","He, Jun; Zhang, Jing-Xiang; Tan, Gui-Ping; Yin, Ye-Gao; Zhang, Dan; Hu, Mei-Hong","Second Ligand-Directed Assembly of Photoluminescent Zn(II) Coordination Frameworks","Crystal Growth & Design","2007","7","8","1508","","10.1021/cg070320v","","","0.71073","MoKα","","0.0871","0.0709","","","0.1896","0.2083","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505102","15.9751","0.001","15.9751","0.001","21.701","0.003","90","","90","","90","","5538.2","0.9","298","2","298","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H28 Cl2 N8 O8 Zn -","- C20 H28 Cl2 N8 O8 Zn -","- C160 H224 Cl16 N64 O64 Zn8 -","8","0.25","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.0944","0.0797","","","0.2407","0.2593","","","","","","1.133","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4506140","16.1936","0.0009","16.1936","0.0009","29.884","0.003","90","","90","","90","","7836.6","1","291","2","291","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C45 H32 N4 O20 Zn2 -","- C45 H32 N4 O20 Zn2 -","- C360 H256 N32 O160 Zn16 -","8","0.25","","Hu, Jin-Song; Yao, Xiao-Qiang; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Characteristics of Four New Metal‒Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids","Crystal Growth & Design","2012","12","7","3426","","10.1021/cg201362x","","","0.71073","MoKα","","0.0573","0.0419","","","0.1105","0.1147","","","","","","1.06","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4507435","21.624","0.009","21.624","0.009","38.385","0.009","90","","90","","90","","17949","11","110","2","110","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C19 H28 N3 O6 Zn -","- C19 H28 N3 O6 Zn -","- C608 H896 N96 O192 Zn32 -","32","1","","Jasuja, Himanshu; Burtch, Nicholas C.; Huang, You-Gui; Cai, Yang; Walton, Krista S.","Kinetic water stability of an isostructural family of zinc-based pillared metal-organic frameworks.","Langmuir : the ACS journal of surfaces and colloids","2013","29","2","633","642","10.1021/la304204k","","","0.71073","MoKα","","0.0625","0.0515","","","0.14","0.1503","","","","","","1.028","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4509139","13.4139","0.0007","13.4139","0.0007","31.309","0.003","90","","90","","90","","5633.5","0.7","120","2","120","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H32 N10 O6 Zn -","- C22 H32 N10 O6 Zn -","- C176 H256 N80 O48 Zn8 -","8","0.25","","Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar","Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks","Crystal Growth & Design","2009","9","2","1095","","10.1021/cg800923g","","","0.71073","MoKα","","0.0369","0.0297","","","0.078","0.0838","","","","","","1.092","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4510275","19.418","0.003","19.418","0.003","25.392","0.004","90","","90","","90","","9574","3","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H20 Cu N8 O4 P2 -","- C20 H20 Cu N8 O4 P2 -","- C320 H320 Cu16 N128 O64 P32 -","16","0.5","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0375","0.0283","","","0.0771","0.0856","","","","","","1.045","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4510444","23.1175","0.0006","23.1175","0.0006","28.1024","0.0015","90","","90","","90","","15018.5","1","298","2","298","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C17 H23 Ag N6 O2 -","- C17 H23 Ag N6 O2 -","- C544 H736 Ag32 N192 O64 -","32","1","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.0433","0.0307","","","0.0737","0.0816","","","","","","1.021","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510867","30.8006","0.0003","30.8006","0.0003","63.5696","0.0012","90","","90","","90","","60307","1.4","120","2","120","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C212 H236 Na4 Ni16 O80 P8 S16 -","- C212 H156 Na4 Ni16 O80 P8 S16 -","- C1696 H1248 Na32 Ni128 O640 P64 S128 -","8","0.25","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0753","0.0723","","","0.2183","0.2224","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510868","31.0238","0.0004","31.0238","0.0004","63.8894","0.0016","90","","90","","90","","61492","1.9","120","2","120","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C212 H236 Co16 Na4 O80 P8 S16 -","- C212 H180 Co16 Na4 O80 P8 S16 -","- C1696 H1440 Co128 Na32 O640 P64 S128 -","8","0.25","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0743","0.0715","","","0.2107","0.2144","","","","","","1.074","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4515464","13.2301","0.001","13.2301","0.001","38.893","0.005","90","","90","","90","","6807.7","1.1","93","2","93","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C9 H15 B O2 -","- C9 H15 B O2 -","- C288 H480 B32 O64 -","32","1","","Espinosa, Matthew R.; Charboneau, David J.; Garcia de Oliveira, André; Hazari, Nilay","Controlling Selectivity in the Hydroboration of Carbon Dioxide to the Formic Acid, Formaldehyde, and Methanol Oxidation Levels","ACS Catalysis","2018","9","1","301","","10.1021/acscatal.8b03894","","","1.54184","CuKα","","0.148","0.0881","","","0.2151","0.2555","","","","","","1.03","","","","has coordinates","225619","2020-10-21","18:00:00",""
"4518913","13.43","0.03","13.43","0.03","19.15","0.05","90","","90","","90","","3454","14","240","2","240","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga Na3 Se4 Zn -","- Ga Na3 Se4 Zn -","- Ga16 Na48 Se64 Zn16 -","16","0.5","","Balijapelly, Srikanth; Zhang, Qi; Sandineni, Prashanth; Adhikary, Amit; Mohapatra, Sudip; Sundaramoorthy, Santhoshkumar; Gerasimchuck, Nikolay; Chernatynskiy, Aleksandr V.; Choudhury, Amitava","High Sodium-Ion Conductivity in Interlocked Quaternary Chalcogenides Built with Supertetrahedral Building Units","ACS Applied Energy Materials","2021","","","","","10.1021/acsaem.1c01270","","","0.71073","MoKα","","0.0313","0.0229","","","0.0545","0.0566","","","","","","1.057","","","","has coordinates","267695","2021-07-22","21:11:53",""
"4518914","12.925","0.002","12.925","0.002","18.623","0.003","90","","90","","90","","3111.1","0.8","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga Na3 S4 Zn -","- Ga Na3 S4 Zn -","- Ga16 Na48 S64 Zn16 -","16","0.5","","Balijapelly, Srikanth; Zhang, Qi; Sandineni, Prashanth; Adhikary, Amit; Mohapatra, Sudip; Sundaramoorthy, Santhoshkumar; Gerasimchuck, Nikolay; Chernatynskiy, Aleksandr V.; Choudhury, Amitava","High Sodium-Ion Conductivity in Interlocked Quaternary Chalcogenides Built with Supertetrahedral Building Units","ACS Applied Energy Materials","2021","","","","","10.1021/acsaem.1c01270","","","0.71073","MoKα","","0.0279","0.0244","","","0.0621","0.0655","","","","","","1.087","","","","has coordinates","267696","2021-07-22","21:12:19",""
"4518944","16.7483","0.0004","16.7483","0.0004","28.9201","0.0007","90","","90","","90","","8112.2","0.3","172.95","0.1","172.95","0.1","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C11 H21 F6 N O4 S2 Sn -","- C11 H21 F6 N O4 S2 Sn -","- C176 H336 F96 N16 O64 S32 Sn16 -","16","0.5","","Sapsford, Joshua S.; Csókás, Dániel; Turnell-Ritson, Roland C.; Parkin, Liam A.; Crawford, Andrew D.; Pápai, Imre; Ashley, Andrew E.","Transition Metal-Free Direct Hydrogenation of Esters via a Frustrated Lewis Pair","ACS Catalysis","2021","","","9143","9150","10.1021/acscatal.1c01940","","x-ray","0.71073","MoKα","","0.0686","0.039","","","0.0817","0.0973","","","","","","1.036","","","","has coordinates,has disorder","267918","2021-08-03","19:39:06",""
"7004607","12.912","0.003","12.912","","22.993","0.006","90","","90","","90","","3833.4","1.3","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","uranium(IV)tetraiodobis(diethyl ether)","uranium(IV)tetraiodobis(diethyl ether)","","- C8 H20 I4 O2 U -","- C8 H20 I4 O2 U -","- C64 H160 I32 O16 U8 -","8","0.25","","Schnaars, David D.; Wu, Guang; Hayton, Trevor W.","Reactivity of UH3 with mild oxidants","Dalton Transactions","2008","","44","6121","6126","10.1039/b809184f","","","0.71073","MoKα","","0.0978","0.0395","","","0.0674","0.0794","","","","","","0.828","","","","has coordinates","179750","2020-10-21","18:00:00",""
"7004955","22.1997","0.0019","22.1997","0.0019","16.819","0.003","90","","90","","90","","8288.9","1.8","125","2","125","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C40 H30 Co F12 N10 P2 -","- C40 H30 Co F12 N10 P2 -","- C320 H240 Co8 F96 N80 P16 -","8","0.25","","Medlycott, Elaine A.; Udachin, Konstantin A.; Hanan, Garry S.","Non-covalent polymerisation in the solid state: halogen-halogen vs. methyl-methyl interactions in the complexes of 2,4-di(2-pyridyl)-1,3,5-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","4","430","438","10.1039/b613883g","","","0.7107","MoKα","","0.061","0.0354","","","0.0943","0.1142","","","","","","1.073","","","","has coordinates","179753","2020-10-21","18:00:00",""
"7004956","22.2925","0.0003","22.2925","0.0003","16.6862","0.0004","90","","90","","90","","8292.3","0.3","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C40 H30 F12 N10 Ni P2 -","- C40 H30 F12 N10 Ni P2 -","- C320 H240 F96 N80 Ni8 P16 -","8","0.25","","Medlycott, Elaine A.; Udachin, Konstantin A.; Hanan, Garry S.","Non-covalent polymerisation in the solid state: halogen-halogen vs. methyl-methyl interactions in the complexes of 2,4-di(2-pyridyl)-1,3,5-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","4","430","438","10.1039/b613883g","","","1.54178","CuKα","","0.0566","0.0416","","","0.114","0.1365","","","","","","1.094","","","","has coordinates","179753","2020-10-21","18:00:00",""
"7004957","22.598","0.004","22.598","0.004","17.155","0.007","90","","90","","90","","8761","4","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C40 H30 Cu F12 N10 P2 -","- C40 H30 Cu F12 N10 P2 -","- C320 H240 Cu8 F96 N80 P16 -","8","0.25","","Medlycott, Elaine A.; Udachin, Konstantin A.; Hanan, Garry S.","Non-covalent polymerisation in the solid state: halogen-halogen vs. methyl-methyl interactions in the complexes of 2,4-di(2-pyridyl)-1,3,5-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","4","430","438","10.1039/b613883g","","","1.54178","CuKα","","0.0428","0.0296","","","0.0797","0.0955","","","","","","1.022","","","","has coordinates","179753","2020-10-21","18:00:00",""
"7005237","15.491","0.002","15.491","0.002","45.272","0.01","90","","90","","90","","10864","3","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C48 H44 Cl4 Cu6 N14 O8 -","- C48 H44 Cl4 Cu6 N14 O8 -","- C384 H352 Cl32 Cu48 N112 O64 -","8","0.25","","Wu, Da-Yu; Huang, Wei; Hua, Wei-Jie; Song, You; Duan, Chun-Ying; Li, Shu-Hua; Meng, Qing-Jin","Metal complexes formed by metal-assisted solvolysis of di-pyridylketone azine: structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2007","","18","1838","1845","10.1039/b618286k","","","0.71073","MoKα","","0.0475","0.0326","","","0.0853","0.0882","","","","","","1.02","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7005871","24.211","0.0015","24.211","0.0015","23.327","0.002","90","","90","","90","","13673.6","1.7","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C52 H44 Ag5.5 N21.5 O16.5 -","- C52 H44 Ag5.5 N21.5 O16.5 -","- C416 H352 Ag44 N172 O132 -","8","0.25","","Sun, Qiaozhen; Wei, Meilin; Bai, Yan; He, Cheng; Meng, Qingjin; Duan, Chunying","Entanglement of individual coordination polymers having helicates as building intermediates.","Dalton transactions (Cambridge, England : 2003)","2007","","36","4089","4094","10.1039/b706183h","","","0.71073","MoKα","","0.1692","0.0721","","","0.1609","0.1792","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014430","9.5536","0.0004","9.5536","0.0004","17.1539","0.0018","90","","90","","90","","1565.66","0.19","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Strontium Tetrahydroxyberyllate","","","- Be H4 O4 Sr -","- Be H4 O4 Sr -","- Be16 H64 O64 Sr16 -","16","0.5","","Littlefield, Benjamin T. R.; Hinde, Christopher; Weller, Mark T.","Structure of the Be(OH)4(2-) anion.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","782","784","10.1039/c0dt00843e","","","0.71073","MoKα","","0.0514","0.0314","","","0.0865","0.1059","","","","","","1.103","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7018609","27.302","0.003","27.302","0.003","27.053","0.004","90","","90","","90","","20165","4","100","","100","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C21 H17 Cl3 N4 O8 Pt -","- C21 H17 Cl3 N4 O8 Pt -","- C672 H544 Cl96 N128 O256 Pt32 -","32","1","","Kobayashi, Masayuki; Masaoka, Shigeyuki; Sakai, Ken","Synthesis, crystal structure, spectroscopic and electrochemical properties, and H(2)-evolving activity of a new [PtCl(terpyridine)](+) derivative with viologen-like redox properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4903","4911","10.1039/c2dt12209j","","","0.71073","MoKα","","0.032","0.0258","","","0.0635","0.0659","","","","","","1.092","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7021486","26.175","0.012","26.175","0.012","32.823","0.011","90","","90","","90","","22488","16","223","2","223","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C62 H91 B4 Cu12 Mo4 N25 S16 -","- C62 H88 B4 Cu12 Mo4 N25 S16 -","- C496 H704 B32 Cu96 Mo32 N200 S128 -","8","0.25","","Zhang, Zhi-Yuan; Gong, Wei-Jie; Wang, Fan; Chen, Min-Min; Zhou, Li-Kuan; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping","Assembly of new Mo/Cu/S clusters from [Et4N][Tp*MoS(S4)] and Cu(i) salts: syntheses, structures and third-order nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9495","9504","10.1039/c3dt50759a","","","0.71073","MoKα","","0.0715","0.0688","","","0.2584","0.2614","","","","","","1.444","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7022486","17.643","0.003","17.643","0.003","34.487","0.007","90","","90","","90","","10735","3","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C33 H19 F5 Ir N3 -","- C33 H19 F5 Ir N3 -","- C528 H304 F80 Ir16 N48 -","16","0.5","","Li, Liang; Wu, Feng; Zhang, Songlin; Wang, Dawei; Ding, Yuqiang; Zhu, Zhenzhong","A heteroleptic cyclometalated iridium(III) fluorophenylpyridine complex from partial defluorohydrogenation reaction: synthesis, photophysical properties and mechanistic insights.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4539","4543","10.1039/c2dt32800c","","","0.71073","MoKα","","0.081","0.0697","","","0.1576","0.1644","","","","","","1.116","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7024693","16.578","0.002","16.578","0.002","21.897","0.003","90","","90","","90","","6018","1.3","90","2","90","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn Sb11 Yb14 -","- Mn Sb11 Yb14 -","- Mn8 Sb88 Yb112 -","8","0.25","","Rauscher, Japheth F.; Cox, Catherine A.; Yi, Tanghong; Beavers, Christine M.; Klavins, Peter; Toberer, Eric S.; Snyder, G. Jeffrey; Kauzlarich, Susan M.","Synthesis, structure, magnetism, and high temperature thermoelectric properties of Ge doped Yb14MnSb11.","Dalton transactions (Cambridge, England : 2003)","2010","39","4","1055","1062","10.1039/b920250a","","","0.7749","synchrotron","","0.03","0.0287","","","0.0722","0.0731","","","","","","1.099","","","","has coordinates","179951","2020-10-21","18:00:00",""
"7024927","18.638","0.003","18.638","0.003","24.499","0.004","90","","90","","90","","8510","2","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Caesium-1-cyanoundecachloridocarba-closo-dodecaborate","Caesium-1-cyanoundecachloridocarba-<i>closo</i>-dodecaborate","","- C2 B11 Cl11 Cs N -","- C2 B11 Cl11 Cs N -","- C32 B176 Cl176 Cs16 N16 -","16","0.5","","Finze, Maik; Sprenger, Jan A. P.; Schaack, Bernd Bastian","Salts of the 1-cyanocarba-closo-dodecaborate anions [1-NC-closo-1-CB11X11]- (X = H, F, Cl, Br, I).","Dalton transactions (Cambridge, England : 2003)","2010","39","10","2708","2716","10.1039/b922720b","","","0.71073","MoKα","","0.0382","0.0292","","","0.0801","0.0842","","","","","","1.071","","","","has coordinates,has disorder","179954","2020-10-21","18:00:00",""
"7025947","17.4108","0.0015","17.4108","0.0015","25.463","0.003","90","","90","","90","","7718.8","1.3","150","2","150","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C18 H22 B F6 Ir N2 -","- C18 H22 B F6 Ir N2 -","- C288 H352 B16 F96 Ir16 N32 -","16","0.5","","Fawcett, John; Harding, Duncan A. J.; Hope, Eric G.","Synthesis and characterisation of some iridium-carbonyl-fluoride complexes. Crystal structures of [IrF(CO){P(C6H4-2-CH3)3}2] and [IrF2(COD)py2][BF4].","Dalton transactions (Cambridge, England : 2003)","2010","39","25","5827","5832","10.1039/c0dt00066c","","","0.71073","MoKα","","0.0879","0.0553","","","0.1223","0.1353","","","","","","1.027","","","","has coordinates","179965","2020-10-21","18:00:00",""
"7031480","24.8128","0.0014","24.8128","0.0014","44.811","0.005","90","","90","","90","","27589","4","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C78 H55 Co2 N9 O8 -","- C78 H55 Co2 N9 O8 -","- C1248 H880 Co32 N144 O128 -","16","0.5","","Qin, Ling; Wang, Zhong-Jie; Wang, Ting; Zheng, He-Gen; Chen, Jin-Xi","Coligand-directed synthesis of five Co(ii)/Ni(ii) coordination polymers with a neutral tetradentate ligand: syntheses, crystal structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12528","12535","10.1039/c4dt01535e","","","0.71073","MoKα","","0.0681","0.0512","","","0.1463","0.1569","","","","","","1.059","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7035577","17.597","0.009","17.597","0.009","40.203","0.009","90","","90","","90","","12449","9","298","2","298","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","Dipotassium Phenylene-1,4-Bis(Trifluoroborate)","","","- C6 H4.66667 B2 F6 K2 O0.33333 -","- C6 H4.66667 B2 F6 K2 O0.333333 -","- C288 H224 B96 F288 K96 O16 -","48","1.5","","Falcicchio, Aurelia; Nilsson Lill, Sten O.; Perna, Filippo M.; Salomone, Antonio; Coppi, Donato I.; Cuocci, Corrado; Stalke, Dietmar; Capriati, Vito","Organotrifluoroborates as attractive self-assembling systems: the case of bifunctional dipotassium phenylene-1,4-bis(trifluoroborate).","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19447","19450","10.1039/c5dt02020d","","","0.71073","MoKα","","0.0809","0.0414","","","0.0903","0.1053","","","","","","0.998","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7037579","29.0398","0.0013","29.0398","0.0013","24.4712","0.0019","90","","90","","90","","20637","2","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- H37 Mn4 O61 P V18 -","- Mn4 O61 P V18 -","- Mn64 O976 P16 V288 -","16","0.5","","Zhou, Yang-Yang; Yao, Shuang; Yan, Jing-Hui; Chen, Li; Wang, Ting-Ting; Wang, Chun-Jie; Zhang, Zhi-Ming","Design and synthesis of purely inorganic 3D frameworks composed of reduced vanadium clusters and manganese linkers.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20435","20440","10.1039/c5dt03397g","","","0.71073","MoKα","","0.0962","0.0626","","","0.2128","0.2562","","","","","","0.983","","","","has coordinates,has disorder","170876","2020-10-21","18:00:00",""
"7038636","35.255","0.003","35.255","0.003","49.064","0.004","90","","90","","90","","60982","9","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- Ca14 H7.75 N36 Na20 O248 U24 -","- Ca14 N36 Na20 O248 U24 -","- Ca112 N288 Na160 O1984 U192 -","8","0.25","","Biswas, Saptarshi; Steudtner, Robin; Schmidt, Moritz; McKenna, Cora; León Vintró, Luis; Twamley, Brendan; Baker, Robert J.","An investigation of the interactions of Eu(3+) and Am(3+) with uranyl minerals: implications for the storage of spent nuclear fuel.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6383","6393","10.1039/c6dt00199h","","","0.71073","MoKα","","0.0713","0.0492","","","0.1108","0.1211","","","","","","1.084","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7042527","14.1711","0.001","14.1711","0.001","15.8493","0.0015","90","","90","","90","","3182.9","0.4","298","2","298","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Br6 Cu2 H4 O4 Pb4 -","- Br6 Cu2 H4 O4 Pb4 -","- Br48 Cu16 H32 O32 Pb32 -","8","0.25","","Xue, Ying-Ying; Zhang, Li-Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Zhai, Quan-Guo","Ionothermal synthesis of novel Pb-OH-Cu-X (X = Cl, Br and I) quaternary heterometallic frameworks with tunable optical properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5183","5188","10.1039/c7dt00712d","","","0.71073","MoKα","","0.062","0.0485","","","0.1315","0.1367","","","","","","1.127","","","","has coordinates","196420","2020-10-21","18:00:00",""
"7042528","13.7547","0.0011","13.7547","0.0011","15.3654","0.0013","90","","90","","90","","2907","0.4","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Cl6 Cu2 H4 O4 Pb4 -","- Cl6 Cu2 H4 O4 Pb4 -","- Cl48 Cu16 H32 O32 Pb32 -","8","0.25","","Xue, Ying-Ying; Zhang, Li-Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Zhai, Quan-Guo","Ionothermal synthesis of novel Pb-OH-Cu-X (X = Cl, Br and I) quaternary heterometallic frameworks with tunable optical properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5183","5188","10.1039/c7dt00712d","","","0.71073","MoKα","","0.0572","0.04","","","0.0892","0.0948","","","","","","1.14","","","","has coordinates","196420","2020-10-21","18:00:00",""
"7045533","14.2202","0.0005","14.2202","0.0005","38.543","0.004","90","","90","","90","","7793.9","0.9","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C10 H8 Cl Cu N2 O0 -","- C10 H8 Cl Cu N2 -","- C320 H256 Cl32 Cu32 N64 -","32","1","","Zhang, Ming; Wang, Liwen; Zeng, Tianyu; Shang, Qigao; Zhou, Hong; Pan, Zhiquan; Cheng, Qingrong","Two pure MOF-photocatalysts readily prepared for the degradation of methylene blue dye under visible light.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4251","4258","10.1039/c8dt00156a","","","0.71073","MoKα","","0.157","0.0707","","","0.1684","0.2041","","","","","","1.196","","","","has coordinates","230039","2020-10-21","18:00:00",""
"7045784","16.777","","16.777","","39.34","","90","","90","","90","","11072.9","","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C28 H50 Mo4 N4 O29 Re4 -","- C28 H48 Mo4 N4 O29 Re4 -","- C224 H384 Mo32 N32 O232 Re32 -","8","0.25","","Lu, Jingkun; Ma, Xinyi; Singh, Vikram; Zhang, Yujiao; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","An isotetramolybdate-supported rhenium carbonyl derivative: synthesis, characterization, and use as a catalyst for sulfoxidation.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5279","5285","10.1039/C8DT00429C","","","0.71073","MoKα","","0.0581","0.0437","","","0.1302","0.1387","","","","","","1.036","","","","has coordinates","229853","2020-10-21","18:00:00",""
"7047699","12.871","0.01","12.871","0.01","18.56","0.03","90","","90","","90","","3075","6","296","2","296","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga Na3 S4 Zn -","- Ga Na3 S4 Zn -","- Ga16 Na48 S64 Zn16 -","16","0.5","","Chen, Ruijiao; Wu, Xiaowen; Su, Zhi","Structural insights into T<sub>2</sub>-cluster-containing chalcogenides with vertex-, edge- and face-sharing connection modes of NaQ<sub>6</sub> ligands: Na<sub>3</sub>ZnM<sup>III</sup>Q<sub>4</sub> (M<sup>III</sup> = In, Ga; Q = S, Se).","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15538","15544","10.1039/c8dt03281e","","","0.71073","MoKα","","0.0377","0.0264","","","0.0565","0.0612","","","","","","1.047","","","","has coordinates","229433","2020-10-21","18:00:00",""
"7047700","13.481","0.007","13.481","0.007","19.26","0.02","90","","90","","90","","3500","4","296","2","296","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga Na3 Se4 Zn -","- Ga Na3 Se4 Zn -","- Ga16 Na48 Se64 Zn16 -","16","0.5","","Chen, Ruijiao; Wu, Xiaowen; Su, Zhi","Structural insights into T<sub>2</sub>-cluster-containing chalcogenides with vertex-, edge- and face-sharing connection modes of NaQ<sub>6</sub> ligands: Na<sub>3</sub>ZnM<sup>III</sup>Q<sub>4</sub> (M<sup>III</sup> = In, Ga; Q = S, Se).","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15538","15544","10.1039/c8dt03281e","","","0.71073","MoKα","","0.0568","0.0312","","","0.057","0.0641","","","","","","1.047","","","","has coordinates","229433","2020-10-21","18:00:00",""
"7047701","13.175","0.007","13.175","0.007","18.995","0.02","90","","90","","90","","3297","4","296","2","296","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- In Na3 S4 Zn -","- In Na3 S4 Zn -","- In16 Na48 S64 Zn16 -","16","0.5","","Chen, Ruijiao; Wu, Xiaowen; Su, Zhi","Structural insights into T<sub>2</sub>-cluster-containing chalcogenides with vertex-, edge- and face-sharing connection modes of NaQ<sub>6</sub> ligands: Na<sub>3</sub>ZnM<sup>III</sup>Q<sub>4</sub> (M<sup>III</sup> = In, Ga; Q = S, Se).","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15538","15544","10.1039/c8dt03281e","","","0.71073","MoKα","","0.0292","0.0247","","","0.0563","0.0592","","","","","","1.112","","","","has coordinates","229433","2020-10-21","18:00:00",""
"7047702","13.655","0.01","13.655","0.01","19.59","0.03","90","","90","","90","","3653","7","296","2","296","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- In Na3 Se4 Zn -","- In Na3 Se4 Zn -","- In16 Na48 Se64 Zn16 -","16","0.5","","Chen, Ruijiao; Wu, Xiaowen; Su, Zhi","Structural insights into T<sub>2</sub>-cluster-containing chalcogenides with vertex-, edge- and face-sharing connection modes of NaQ<sub>6</sub> ligands: Na<sub>3</sub>ZnM<sup>III</sup>Q<sub>4</sub> (M<sup>III</sup> = In, Ga; Q = S, Se).","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15538","15544","10.1039/c8dt03281e","","","0.71073","MoKα","","0.0469","0.0336","","","0.0756","0.0801","","","","","","1.097","","","","has coordinates","229433","2020-10-21","18:00:00",""
"7051050","24.4478","0.0004","24.4478","0.0004","68.74","0.001","90","","90","","90","","41085.5","1.1","173","","173","","","","","","","","","8","I 41/a c d :2","-I 4bd 2c","142","","","","- C36 H44 Ag Cl2 F6 N2 O5 P -","- C35.75 H30 Ag Cl2 F6 N2 O5 P -","- C1144 H960 Ag32 Cl64 F192 N64 O160 P32 -","32","1","","Cédric Klein; Ernest Graf; Mir Wais Hosseini; André De Cian","Design and structural analysis of interpenetrated 3-D co-ordination networks formed by self-assembly using tetrapyridinoocyclophane and silver cations","New J. Chem.","2001","25","2","207","209","10.1039/b008259g","","","0.71073","Mo-Kα","","0.291","0.134","","0.798","","0.173","","","25.92","","","1.179","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7102952","17.9622","0.0011","17.9622","0.0011","21.89","0.002","90","","90","","90","","7062.7","0.9","294","2","294","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C14 H12 N8 O2 S2 Zn -","- C14 H8 N8 O2 S2 Zn -","- C224 H128 N128 O32 S32 Zn16 -","16","0.5","","Chen, Xu-Dong; Wu, Hui-Fang; Du, Miao","Controllable preparation of Zn(II) coordination polymers: unusual solvothermal formation of a LiGe-type framework directed by in situ S-S coupling of 5-(4-pyridyl)-1H-1,2,4-triazole-3-thiol.","Chemical communications (Cambridge, England)","2008","","11","1296","1298","10.1039/b716461k","","","0.71073","MoKα","","0.0428","0.0284","","","0.0619","0.0673","","","","","","1.034","","","","has coordinates,has disorder","180131","2020-10-21","18:00:00",""
"7103581","19.659","0.003","19.659","0.003","36.149","0.007","90","","90","","90","","13971","4","120","2","120","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C23 H32 In N3 O13 -","- C16 H6 In O8 -","- C256 H96 In16 O128 -","16","0.5","","Yang, Sihai; Lin, Xiang; Blake, Alexander J; Thomas, K Mark; Hubberstey, Peter; Champness, Neil R; Schröder, Martin","Enhancement of H2 adsorption in Li±exchanged co-ordination framework materials.","Chemical communications (Cambridge, England)","2008","","46","6108","6110","10.1039/b814155j","","","0.6893","synchrotron","","0.0792","0.0602","","","0.173","0.183","","","","","","1.04","","","","has coordinates","180138","2020-10-21","18:00:00",""
"7106458","30.576","0.004","30.576","0.004","45.263","0.006","90","","90","","90","","42316","10","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C130.56 H231.04 N24 O56.86 U4 -","- C130.52 H215.56 N24 O57 U4 -","- C1044.16 H1724.48 N192 O456 U32 -","8","0.25","","Chengbao Ni; David K. Shuh; Kenneth N. Raymond","Uranyl sequestration: synthesis and structural characterization of uranyl complexes with a tetradentate methylterephthalamide ligand","Chem.Commun.","2011","47","","6392","","10.1039/c1cc11329a","","","0.71073","MoKα","","0.0763","0.0502","","","0.1509","0.1785","","","","","","1.186","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106986","17.6342","0.0006","17.6342","0.0006","33.4999","0.0011","90","","90","","90","","10417.3","0.6","183","2","183","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C15.71 H21.51 Cu3 N5.9 O13 -","- C15.706 H21.51 Cu3 N5.902 O13 -","- C251.296 H344.16 Cu48 N94.432 O208 -","16","0.5","","Samir Barman; Hiroyasu Furukawa; Olivier Blacque; Koushik Venkatesan; Omar M. Yaghi; Guo-Xin Jin; Heinz Berke","Incorporation of active metal sites in MOFs via in situ generated ligand deficient metal-linker complexes","Chem.Commun.","2011","47","","11882","","10.1039/c1cc14387e","","","0.71073","MoKα","","0.1357","0.0399","","","0.08","0.093","","","","","","0.738","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106987","17.1637","0.0005","17.1637","0.0005","34.0665","0.0006","90","","90","","90","","10035.7","0.4","183","2","183","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C18 H22 Cu3 N4 O12 -","- C18 H22 Cu3 N4 O12 -","- C288 H352 Cu48 N64 O192 -","16","0.5","","Samir Barman; Hiroyasu Furukawa; Olivier Blacque; Koushik Venkatesan; Omar M. Yaghi; Guo-Xin Jin; Heinz Berke","Incorporation of active metal sites in MOFs via in situ generated ligand deficient metal-linker complexes","Chem.Commun.","2011","47","","11882","","10.1039/c1cc14387e","","","0.71073","MoKα","","0.1319","0.0731","","","0.2122","0.2363","","","","","","0.921","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7109172","22.0767","0.0008","22.0767","0.0008","21.1707","0.001","90","","90","","90","","10318.2","0.7","173","2","173","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","tetra(4-cyanophenyl)ethylene","","- C30 H16 N4 -","- C30 H16 N4 -","- C480 H256 N64 -","16","0.5","","Asamanjoy Bhunia; Vera Vasylyeva; Christoph Janiak","From a supramolecular tetranitrile to a porous covalent triazine-based framework with high gas uptake capacities","Chem.Commun.","2013","49","","3961","","10.1039/c3cc41382a","","","1.54178","CuKα","","0.066","0.0592","","","0.1643","0.1693","","","","","","1.105","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7110200","16.107","0.008","16.107","0.008","19.012","0.014","90","","90","","90","","4932","5","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C8 H28 Al2 B7 In N6 O16 -","- C8 H28 Al2 B7 In N6 O16 -","- C64 H224 Al16 B56 In8 N48 O128 -","8","0.25","","Lin Cheng; Guo-Yu Yang","A novel aluminoborate open-framework [In(dien)2][Al2B7O16H2] with large chiral cavities templated by chiral main group metal complexes","Chem.Commun.","2014","50","","344","","10.1039/c3cc47440b","","","1.5418","CuKα","","0.0879","0.0695","","","0.1259","0.1344","","","","","","1.048","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7114017","28.484","0.008","28.484","0.008","18.219","0.007","90","","90","","90","","14782","8","203","2","203","2","","","","","","","","8","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H22 Cl4 Cu F6 N4 O7 S2 -","- C23.994 H18 Cl4 Cu F6 N4 O7 S2 -","- C383.904 H288 Cl64 Cu16 F96 N64 O112 S32 -","16","0.5","","Carlucci, Lucia; Cozzi, Nicola; Ciani, Gianfranco; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia","A three-dimensional nanoporous flexible network of ‘square-planar’ copper(ii) centres with an unusual topologyElectronic supplementary information (ESI) available: XRPD spectra. See http://www.rsc.org/suppdata/cc/b2/b202588d/","Chemical Communications","2002","","13","1354","","10.1039/b202588d","","","0.71073","MoKα","","0.1029","0.0826","","0.255","0.2307","","","","1.134","","","","","","","has coordinates,has disorder","180254","2020-10-21","18:00:00",""
"7114239","13.758","0.002","13.758","0.002","36.606","0.007","90","","90","","90","","6928.9","1.9","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C40 H24 Fe N8 -","- C40 H24 Fe N8 -","- C320 H192 Fe8 N64 -","8","0.25","","Pan, Long; Kelly, Sean; Huang, Xiaoying; Li, Jing","Unique 2D metalloporphyrin networks constructed from iron(ii) and meso-tetra(4-pyridyl)porphyrin","Chemical Communications","2002","","20","2334","","10.1039/b207855d","","","0.71073","MoKα","","0.2239","0.0666","","","0.1071","0.1293","","","","","","1.165","","","","has coordinates,has disorder","180256","2020-10-21","18:00:00",""
"7119979","29.4436","0.0011","29.4436","0.0011","54.543","0.004","90","","90","","90","","47285","4","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C72 H124 Mo12 N5 O45 P Zn4 -","- C72 H124 Mo12 N5 O45 P Zn4 -","- C1152 H1984 Mo192 N80 O720 P16 Zn64 -","16","0.5","","Wang, Yuan-Yuan; Zhang, Mi; Li, Shun-Li; Zhang, Shu-Ran; Xie, Wei; Qin, Jun-Sheng; Su, Zhong-Min; Lan, Ya-Qian","Diamondoid-structured polymolybdate-based metal-organic frameworks as high-capacity anodes for lithium-ion batteries.","Chemical communications (Cambridge, England)","2017","53","37","5204","5207","10.1039/c6cc10208e","","","0.71073","MoKα","","0.13","0.075","","","0.2024","0.2348","","","","","","1.059","","","","has coordinates","196264","2020-10-21","18:00:00",""
"7124760","39.28","0.006","39.28","0.006","39.78","0.008","90","","90","","90","","61377","18","100","2","100","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C116 H66 N2 O2 -","- C116 H66.0002 N1.9998 O2 -","- C1856 H1056 N31.9968 O32 -","16","0.5","","Burgun, Alexandre; Valente, Peter; Evans, Jack D.; Huang, David M.; Sumby, Christopher J.; Doonan, Christian J.","Endohedrally functionalised porous organic cages.","Chemical communications (Cambridge, England)","2016","52","57","8850","8853","10.1039/c6cc04423a","","","0.71073","Synchrotron","","0.105","0.091","","","0.263","0.2806","","","","","","1.141","","","","has coordinates,has disorder","234200","2020-10-21","18:00:00",""
"7125640","27.3577","0.0009","27.3577","0.0009","38.0332","0.0012","90","","90","","90","","28465.7","1.6","100","","100","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Fe40 Mo96 Na32 O625.43 P68 -","- Fe40 Mo96 Na32 O625.36 P68 -","- Fe80 Mo192 Na64 O1250.72 P136 -","2","0.0625","","Zhang, Shan; Lu, Ying; Sun, Xiu-Wei; Li, Zhuo; Dang, Tian-Yi; Zhang, Zhong; Tian, Hong-Rui; Liu, Shu-Xia","Purely inorganic frameworks based on polyoxometalate clusters with abundant phosphate groups: single-crystal to single-crystal structural transformation and remarkable proton conduction.","Chemical communications (Cambridge, England)","2020","56","3","391","394","10.1039/c9cc08696j","","","0.71073","MoKα","","0.0574","0.0388","","","0.0968","0.1064","","","","","","1.083","","","","has coordinates,has disorder","247622","2020-10-21","18:00:00",""
"7125641","27.3329","0.0012","27.3329","0.0012","37.8621","0.0014","90","","90","","90","","28286","2","100","","100","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Fe40 Mo96 Na32 O632 P68 -","- Fe40 Mo96 Na32 O632 P68 -","- Fe80 Mo192 Na64 O1264 P136 -","2","0.0625","","Zhang, Shan; Lu, Ying; Sun, Xiu-Wei; Li, Zhuo; Dang, Tian-Yi; Zhang, Zhong; Tian, Hong-Rui; Liu, Shu-Xia","Purely inorganic frameworks based on polyoxometalate clusters with abundant phosphate groups: single-crystal to single-crystal structural transformation and remarkable proton conduction.","Chemical communications (Cambridge, England)","2020","56","3","391","394","10.1039/c9cc08696j","","","0.71073","MoKα","","0.042","0.0317","","","0.0897","0.0962","","","","","","1.051","","","","has coordinates,has disorder","247622","2020-10-21","18:00:00",""
"7125736","23.5105","0.0004","23.5105","0.0004","40.205","0.003","90","","90","","90","","22223.1","1.7","99.99","0.16","99.99","0.16","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","3D-T4-SnOS","","- C48 H133 N9 O23 S32 Sn20 -","- O10 S32 Sn20 -","- O80 S256 Sn160 -","8","0.25","","Huang, Shan-Lin; He, Liang; Chen, Er-Xia; Lai, Heng-Dong; Zhang, Jian; Lin, Qipu","A wide pH-range stable crystalline framework based on the largest tin-oxysulfide cluster [Sn<sub>20</sub>O<sub>10</sub>S<sub>34</sub>].","Chemical communications (Cambridge, England)","2019","55","74","11083","11086","10.1039/c9cc05736f","","","1.54178","CuKα","","0.0539","0.041","","","0.1077","0.1173","","","","","","1.012","","","","has coordinates","246589","2020-10-21","18:00:00",""
"7127388","47.5006","0.001","47.5006","0.001","7.417","0.0002","90","","90","","90","","16735","0.7","93","","93","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","CPDBC","4,4',4'',4'''-(dibenzo[g,p]chrysene-2,7,10,15-tetrayl)tetrabenzoic acid","","- C54 H32 O8 -","- C54 H32 O8 -","- C432 H256 O64 -","8","0.25","","Suzuki, Yuto; Tohnai, Norimitsu; Saeki, Akinori; Hisaki, Ichiro","Hydrogen-bonded organic frameworks of twisted polycyclic aromatic hydrocarbon.","Chemical communications (Cambridge, England)","2020","56","87","13369","13372","10.1039/d0cc06081j","","","0.81106","synchrotron","","0.1163","0.0917","","","0.2698","0.292","","","","","","1.053","","","","has coordinates","260704","2021-01-07","04:57:38",""
"7129579","65.655","0.006","65.655","0.006","18.9177","0.0018","90","","90","","90","","81546","13","273","2","273","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C348 H296 N12 O48 -","- C348 H296 N12 O48 -","- C2784 H2368 N96 O384 -","8","0.25","","Dong, Ming; Liu, Xiu; Zhang, Zhi-Yuan; Yu, Cheng-Mao; Huo, Bochao; Li, Chunju","Synthesis of a Large-Cavity Carbazole Macrocycle for Size-Dependent Recognition","Chemical Communications","2022","","","","","10.1039/D1CC06788E","","","0.77485","Synchrotron","","0.1756","0.1171","","","0.2802","0.2985","","","","","","1.061","","","","has coordinates,has disorder","272043","2022-01-14","22:52:50",""
"7129875","25.1808","0.0006","25.1808","0.0006","27.0021","0.0008","90","","90","","90","","17121.3","0.8","100","0.11","100","0.11","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C57 H114 Cd12 Cl4 N8 O29 Sn2 -","- C57 H114 Cd12 Cl4 N8 O29 Sn2 -","- C456 H912 Cd96 Cl32 N64 O232 Sn16 -","8","0.25","","Wang, Di; Chen, Guang-Hui; Wang, San-Tai; Zhang, Jian; Zhang, Lei","Triethanolamine stabilized non-alkyl Sn4Cd4 and alkyl Sn2Cd12 oxo clusters with distinct electrocatalytic activities","Chemical Communications","2022","","","","","10.1039/D2CC00574C","","","1.54184","CuKα","","0.0899","0.0858","","","0.221","0.2244","","","","","","1.076","","","","has coordinates,has disorder","273816","2022-03-18","22:56:35",""
"7132667","50.9312","0.0003","50.9312","0.0003","64.4799","0.0007","90","","90","","90","","167260","2","100","0.2","100","0.2","","","","","","","","8","I 41/a c d :2","-I 4bd 2c","142","","","","- C360 H380 B2 Cu58 F8 O12 P4 S36 -","- C360 H360 Cu58 O12 P4 S36 -","- C5760 H5760 Cu928 O192 P64 S576 -","16","0.5","","Zhang, Qian; Zheng, Hao; Zhou, Jie; Yang, Jia-Ji; Xu, Kai-Yue; Shen, Lian-Yun; Guan, Zong-Jie; Yang, Yang","A bowl-shaped phosphangulene-protected cubic Cu<sub>58</sub> nanocluster.","Chemical communications (Cambridge, England)","2024","60","17","2389","2392","10.1039/d3cc05791g","","x-ray","1.54184","CuKα","","0.1647","0.1516","","","0.4693","0.4847","","","","","","2.257","","","","has coordinates,has disorder","290076","2024-03-04","19:45:56",""
"7200852","12.7276","0.0018","12.7276","0.0018","56.994","0.011","90","","90","","90","","9233","3","173","2","173","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C49 H36 N4 O8 -","- C49 H36 N4 O8 -","- C392 H288 N32 O64 -","8","0.25","","Men, Yong-Biao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Organic hydrogen-bonded interpenetrating diamondoid frameworks from modular self-assembly of methanetetrabenzoic acid with linkers","CrystEngComm","2009","11","6","978","","10.1039/b822936h","","","0.71073","MoKα","","0.08","0.0428","","","0.0919","0.0989","","","","","","0.893","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7203331","27.9255","0.0013","27.9255","0.0013","40.217","0.002","90","","90","","90","","31363","3","153","2","153","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C102 H134 Mn9 N72 O58 -","- C102 H78 Mn9 N72 O58 -","- C816 H624 Mn72 N576 O464 -","8","0.25","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.7107","MoKα","","0.1356","0.1278","","","0.3008","0.3049","","","","","","1.348","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7205491","14.5579","0.0014","14.5579","0.0014","16.2961","0.0016","90","","90","","90","","3453.7","0.6","298","2","298","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- Br Cu H2 I2 O2 Pb2 -","- Br Cu H2 I2 O2 Pb2 -","- Br16 Cu16 H32 I32 O32 Pb32 -","16","0.5","","Hu, Fei; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Ionothermal synthesis of a new (4,12)-connected heterometallic iodoplumbate with [Pb4(OH)4] cubane as joint points of the helices","CrystEngComm","2011","13","2","414","","10.1039/c0ce00651c","","","0.71073","MoKα","","0.0907","0.0727","","","0.1995","0.2178","","","","","","1.067","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205854","13.831","0.002","13.831","0.002","27.458","0.008","90","","90","","90","","5252.6","1.9","296","2","296","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C12 H8 Cu N2 O7 -","- C12 H8 Cu N2 O7 -","- C192 H128 Cu16 N32 O112 -","16","0.5","","Tang, Yun-Zhi; Zhou, Man; Wen, He-Rui; Cao, Zan; Wang, Xiao-Wei; Huang, Suai","Two novel coordination polymers constructed from 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide ligands","CrystEngComm","2011","13","8","3040","","10.1039/c0ce00884b","","","0.71073","MoKα","","0.059","0.0403","","","0.1102","0.1223","","","","","","1.031","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205926","21.657","0.003","21.657","0.003","57.01","0.02","90","","90","","90","","26739","11","200","2","200","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Ti16","","","- C64 H142 Cl18 O48 Ti16 -","- C64 H142 Cl18 O48 Ti16 -","- C512 H1136 Cl144 O384 Ti128 -","8","0.25","","Périneau, Fabien; Pensec, Sandrine; Sassoye, Capucine; Ribot, François; van Lokeren, Luk; Willem, Rudolph; Bouteiller, Laurent; Sanchez, Clément; Rozes, Laurence","New hybrid core‒shell star-like architectures made of poly(n-butyl acrylate) grown from well-defined titanium oxo-clusters","Journal of Materials Chemistry","2011","21","12","4470","","10.1039/c0jm04047a","","","0.71073","MoKα","","0.1577","0.0883","","","0.2802","0.3303","","","","","","1.397","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7211852","12.9571","0.0002","12.9571","0.0002","30.97","0.0007","90","","90","","90","","5199.44","0.16","153","2","153","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C9 H12 Cl2 Cu2 N4 -","- C9 H12 Cl2 Cu2 N4 -","- C144 H192 Cl32 Cu32 N64 -","16","0.5","","Jin, Chuan-Ming; Zhu, Zhu; Yao, Ming-Xia; Meng, Xiang-Gao","In situ reduction from CuX2 (X = Br, Cl) to Cu(I) halide clusters based on ligand bis(2-methylimidazo-1-yl)methane","CrystEngComm","2010","12","2","358","","10.1039/b915584h","","","0.71073","MoKα","","0.0672","0.0589","","","0.1892","0.2025","","","","","","1.03","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7212827","20.786","0.0002","20.786","0.0002","32.3848","0.0007","90","","90","","90","","13992.1","0.4","120","2","120","2","","","","","","","Jose Giner Planas","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C13 H20 B10 O2 -","- C13 H20 B10 O2 -","- C416 H640 B320 O64 -","32","1","","Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties","CrystEngComm","2010","12","12","4109","","10.1039/c0ce00169d","","","0.71073","MoKα","","0.1503","0.1101","","","0.3113","0.3408","","","","","","1.277","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7215097","27.088","0.0013","27.088","0.0013","41.255","0.0014","90","0.001","90","0.001","90","0.001","30271","2","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- H344 Mn40 Mo96 Na24 O634 P68 -","- Mn40 Mo96 Na24 O634 P68 -","- Mn80 Mo192 Na48 O1268 P136 -","2","0.0625","","Du, Dong-Ying; Qin, Jun-Sheng; Wang, Chun-Gang; Liu, Xian-Chun; Li, Shun-Li; Su, Zhong-Min; Wang, Xin-Long; Lan, Ya-Qian; Wang, En-Bo","Redox-active polyoxometalate-based crystalline material-immobilized noble metal nanoparticles: spontaneous reduction and synergistic catalytic activity","Journal of Materials Chemistry","2012","22","39","21040","","10.1039/c2jm33959e","","","0.71069","MoKα","","0.0574","0.0451","","","0.1305","0.1393","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216112","19.149","0.003","19.149","0.003","13.917","0.003","90","","90","","90","","5103.1","1.6","113","2","113","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","(CoI2(H2O)4) . 2(bpdo)","","","- C20 H24 Co I2 N4 O8 -","- C20 H24 Co I2 N4 O8 -","- C160 H192 Co8 I16 N32 O64 -","8","0.25","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.71073","MoKα","","0.0338","0.0186","","","0.0399","0.0441","","","","","","1.023","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216738","19.4919","0.0005","19.4919","0.0005","25.8585","0.0015","90","","90","","90","","9824.5","0.7","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H20 N8 O4 P2 Zn -","- C20 H20 N8 O4 P2 Zn -","- C320 H320 N128 O64 P32 Zn16 -","16","0.5","","Pal, Souvik; Jana, Partha P.; Nayek, Hari Pada","Mononuclear complexes and a coordination polymer of the 2-pyridylamino (NH2Py) functionalized P(v) ligand","RSC Advances","2014","4","51","26902","","10.1039/c4ra02258k","","","0.71073","MoKα","","0.0844","0.0493","","","0.0909","0.1007","","","","","","1.029","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216739","19.3666","0.0012","19.3666","0.0012","25.514","0.003","90","","90","","90","","9569.4","1.4","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H20 N8 Ni O4 P2 -","- C20 H20 N8 Ni O4 P2 -","- C320 H320 N128 Ni16 O64 P32 -","16","0.5","","Pal, Souvik; Jana, Partha P.; Nayek, Hari Pada","Mononuclear complexes and a coordination polymer of the 2-pyridylamino (NH2Py) functionalized P(v) ligand","RSC Advances","2014","4","51","26902","","10.1039/c4ra02258k","","","0.71073","MoKα","","0.1345","0.0721","","","0.15","0.1768","","","","","","1.033","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216740","19.4697","0.0009","19.4697","0.0009","25.782","0.002","90","","90","","90","","9773.2","1","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H20 Co N8 O4 P2 -","- C20 H20 Co N8 O4 P2 -","- C320 H320 Co16 N128 O64 P32 -","16","0.5","","Pal, Souvik; Jana, Partha P.; Nayek, Hari Pada","Mononuclear complexes and a coordination polymer of the 2-pyridylamino (NH2Py) functionalized P(v) ligand","RSC Advances","2014","4","51","26902","","10.1039/c4ra02258k","","","0.71073","MoKα","","0.2323","0.098","","","0.0836","0.1044","","","","","","0.996","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7220794","6.551","0.011","6.551","","12.771","0.025","90","","90","","90","","548.1","1.4","","","","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- C2 Na2 -","- C2 Na2 -","- C16 Na16 -","8","0.25","","Nemeth, Karoly; Unni, Aditya Krishnan; Kalnmals, Christopher; Segre, Carlo U.; Kaduk, James A.; Bloom, Ira; Maroni, Victor","The Synthesis of Ternary Acetylides with Tellurium: LiTeC2 and Na2TeC2","RSC Adv.","2015","","","","","10.1039/C5RA08983B","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7222119","10.914","","10.914","","19.361","","90","","90","","90","","2306.19","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Pr (P S4)","","- P Pr S4 -","- P Pr S4 -","- P16 Pr16 S64 -","16","0.5","","Wibbelmann, C.; Brocker, W.; Eisenmann, B.; Schaefer, H.","Kristallstruktur und Schwingungsspektrum des Praseodym-ortho-Thiophosphates Pr P S4","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik","1984","39","","190","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222372","31.962","0.002","31.962","0.002","12.6995","0.001","90","","90","","90","","12973.4","1.5","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C34 H31 Cu N3 O4 -","- C34 H31 Cu N3 O4 -","- C544 H496 Cu16 N48 O64 -","16","0.5","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0394","0.0302","","","0.0837","0.0877","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222380","28.2864","0.0011","28.2864","0.0011","13.3571","0.0007","90","","90","","90","","10687.3","0.8","293","2","293","2","","","","","","","Synthesized","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C29 H21 N5 O3 -","- C29 H21 N5 O3 -","- C464 H336 N80 O48 -","16","0.5","","Kumar, Ashish; Kumar, Amit; Dubey, Mrigendra; Biswas, Arnab; Pandey, Shankar","Detection of Copper (II) and Aluminium (III) by a new bis-benzimidazole Schiff base in aqueous media via distinct routes","RSC Adv.","2015","","","","","10.1039/C5RA18566A","","","1.54184","CuKα","","0.0931","0.0789","","","0.2152","0.2301","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222381","28.2864","0.0011","28.2864","0.0011","13.3571","0.0007","90","","90","","90","","10687.3","0.8","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C25.78 H18.67 N4.44 O2.67 -","- C25.7778 H16 N4.44444 O2.66667 -","- C464 H288 N80 O48 -","18","0.5625","","Kumar, Ashish; Kumar, Amit; Dubey, Mrigendra; Biswas, Arnab; Pandey, Shankar","Detection of Copper (II) and Aluminium (III) by a new bis-benzimidazole Schiff base in aqueous media via distinct routes","RSC Adv.","2015","","","","","10.1039/C5RA18566A","","","1.54184","CuKα","","0.1009","0.0868","","","0.2502","0.2672","","","","","","1.04","","","","has coordinates","159088","2020-10-21","18:00:00",""
"7222670","11.498","","11.498","","19.882","","90","","90","","90","","2628.48","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Eu Li P S4 -","- Eu Li P S4 -","- Eu16 Li16 P16 S64 -","16","0.5","","Joergens, S.; Alili,L.; Mewis, A.","Der PrPS4-Strukturtyp und eine ""aufgefuellte"" Variante: Die Verbindungen TbPS4 und LiEuPS4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","705","708","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222671","10.696","","10.696","","19.053","","90","","90","","90","","2179.75","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Tb P S4","","- P S4 Tb -","- P S4 Tb -","- P16 S64 Tb16 -","16","0.5","","Joergens, S.; Alili,L.; Mewis, A.","Der PrPS4-Strukturtyp und eine ""aufgefuellte"" Variante: Die Verbindungen TbPS4 und LiEuPS4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","705","708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222816","11.532","","11.532","","18.868","","90","","90","","90","","2509.2","","","","","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- K8 Pb8 -","- K8 Pb8 -","- K32 Pb32 -","4","0.125","","Roehr, C.","K19 Pb8 O4 (O H)3 und K Pb: Ein Oxid-hydroxid und eine Zintl-Phase mit (P B4)4- -Anionen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","802","808","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7223704","27.1925","","27.1925","","41.0974","","90","","90","","90","","30388.7","","","","","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","Na15 Mn10 ((H P O4) (P O4)3 Mo6 O12 (O H)3)4 (P O4) (H2 O)48","","- Mn10 Mo24 Na10 O165 P17 -","- Mn10 Mo24 Na10 O165 P17 -","- Mn80 Mo192 Na80 O1320 P136 -","8","0.25","","du Peloux, C.; Mialane, P.; Dolbecq, A.; Marrot, J.; Riviere, E.; Secheresse, F.","Synthesis, crystal structure and magnetic properties of new molybdenum(V) phosphates containing Mn(2+) or Co(2+) with three-dimensional structures directed by the nature of the transition metal","Journal of Materials Chemistry","2001","11","","3392","3396","","","","","","","","","","","","","","","","","","","","","","has coordinates","172966","2020-10-21","18:00:00",""
"7224449","18.418","0.0005","18.418","0.0005","30.698","0.002","90","","90","","90","","10413.5","0.8","295","","295","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C48 H44 Cd4 N20 O8 -","- C48 H44 Cd4 N20 O8 -","- C384 H352 Cd32 N160 O64 -","8","0.25","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0717","0.0384","","","0.0832","0.0953","","","","","","1.031","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224451","18.469","0.0007","18.469","0.0007","30.558","0.002","90","","90","","90","","10423.5","0.9","295","","295","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C52 H44 Cd4 N12 O12 -","- C52 H44 Cd4 N12 O12 -","- C416 H352 Cd32 N96 O96 -","8","0.25","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0838","0.0579","","","0.1339","0.15","","","","","","0.994","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7230729","28.576","0.002","28.576","0.002","17.986","0.001","90","","90","","90","","14687.1","1.7","120","2","120","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C26 H28 Cu F6 N4 O9 S2 -","- C26 H16 Cu F6 N4 O9 S2 -","- C416 H256 Cu16 F96 N64 O144 S32 -","16","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","","0.71073","MoKα","","0.0765","0.0716","","","0.2183","0.2233","","","","","","1.118","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230730","28.28","0.007","28.28","","19.059","0.005","90","","90","","90","","15243","5","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","","0.71073","MoKα","","0.1937","0.1712","","","0.5198","0.5337","","","","","","2.194","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230733","28.481","0.004","28.481","","18.723","0.003","90","","90","","90","","15187","3","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","","0.71073","MoKα","","0.1482","0.1237","","","0.3788","0.3948","","","","","","1.54","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7232814","18.4694","0.0007","18.4694","0.0007","61.6922","0.0019","90","","90","","90","","21044.4","1.3","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C104.5 H82 Cl Co4 N16 O24.5 -","- C104.52 H82.04 Cl Co4 N16 O24.5 -","- C836.16 H656.32 Cl8 Co32 N128 O196 -","8","0.25","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.1448","0.1276","","","0.2955","0.3064","","","","","","1.317","","","","has coordinates,has disorder","223613","2020-10-21","18:00:00",""
"7236355","23.0299","0.0011","23.0299","0.0011","24.3973","0.0016","90","","90","","90","","12939.7","1.2","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Cobalt acetato 4-(1H-Imidazol-1-yl) benzoate","'Cobalt acetato 4-(1H-Imidazol-1-yl) benzoate'","","- C12 H10 Co N2 O4 -","- C12 H10 Co N2 O4 -","- C384 H320 Co32 N64 O128 -","32","1","","Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture","Journal of Materials Chemistry A","2017","5","2","535","","10.1039/C6TA07145G","","","1.54178","CuKα","","0.1576","0.0727","","","0.1685","0.2015","","","","","","0.997","","","","has coordinates","235446","2020-10-21","18:00:00",""
"7236356","23.61","0.0007","23.61","0.0007","25.085","0.0007","90","","90","","90","","13983.2","0.7","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Magnesium acetato 4-(1H-1,2,4-triazol-1-yl)benzoate","'Magnesium acetato 4-(1H-1,2,4-triazol-1-yl)benzoate'","","- C11 H9 Mg N3 O4 -","- C11 H9 Mg N3 O4 -","- C352 H288 Mg32 N96 O128 -","32","1","","Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture","Journal of Materials Chemistry A","2017","5","2","535","","10.1039/C6TA07145G","","","1.54178","CuKα","","0.1059","0.0912","","","0.242","0.2523","","","","","","1.123","","","","has coordinates","235446","2020-10-21","18:00:00",""
"7236357","23.3159","0.0016","23.3159","0.0016","24.8737","0.0019","90","","90","","90","","13522.1","1.7","173","2","173","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Manganese acetato 4-(1H-1,2,4-triazol-1-yl)benzoate","'Manganese acetato 4-(1H-1,2,4-triazol-1-yl)benzoate'","","- C11 H9 Mn N4 O3 -","- C11 H9 Mn N4 O3 -","- C352 H288 Mn32 N128 O96 -","32","1","","Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture","Journal of Materials Chemistry A","2017","5","2","535","","10.1039/C6TA07145G","","","1.54178","CuKα","","0.1191","0.0687","","","0.1523","0.174","","","","","","0.966","","","","has coordinates","235446","2020-10-21","18:00:00",""
"7236358","23.1995","0.0006","23.1995","0.0006","24.6012","0.0006","90","","90","","90","","13240.8","0.6","173","2","173","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Cobalt acetato 4-(1H-1,2,4-triazol-1-yl)benzoate","'Cobalt acetato 4-(1H-1,2,4-triazol-1-yl)benzoate'","","- C11 H9 Co N3 O4 -","- C11 H9 Co N3 O4 -","- C352 H288 Co32 N96 O128 -","32","1","","Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture","Journal of Materials Chemistry A","2017","5","2","535","","10.1039/C6TA07145G","","","1.54178","CuKα","","0.0629","0.0558","","","0.1504","0.1564","","","","","","1.081","","","","has coordinates","235446","2020-10-21","18:00:00",""
"7236359","22.889","0.003","22.889","0.003","24.907","0.003","90","","90","","90","","13049","3","173","2","173","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Mnganese acetato 4-(1H-Imidazol-1-yl) benzoate","'Mnganese acetato 4-(1H-Imidazol-1-yl) benzoate'","","- C12 H10 Mn N2 O4 -","- C12 H10 Mn N2 O4 -","- C384 H320 Mn32 N64 O128 -","32","1","","Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture","Journal of Materials Chemistry A","2017","5","2","535","","10.1039/C6TA07145G","","","1.54178","CuKα","","0.1976","0.1016","","","0.2334","0.2792","","","","","","0.955","","","","has coordinates","235446","2020-10-21","18:00:00",""
"7236360","23.3323","0.0007","23.3323","0.0007","24.814","0.0008","90","","90","","90","","13508.6","0.7","173","2","173","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Magnesium acetato 4-(1H-Imidazol-1-yl) benzoate","'Magnesium acetato 4-(1H-Imidazol-1-yl) benzoate'","","- C12 H10 Mg N2 O4 -","- C12 H10 Mg N2 O4 -","- C384 H320 Mg32 N64 O128 -","32","1","","Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture","Journal of Materials Chemistry A","2017","5","2","535","","10.1039/C6TA07145G","","","1.54178","CuKα","","0.067","0.0542","","","0.1385","0.1451","","","","","","1.034","","","","has coordinates","235446","2020-10-21","18:00:00",""
"7236658","28.99097","0.00007","28.99097","0.00007","16.7159","0.00011","90","","90","","90","","14049.3","0.1","100","0.3","100","0.3","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H12 Cu In N4 O8 -","- C24 H12 Cu In N4 O8 -","- C384 H192 Cu16 In16 N64 O128 -","16","0.5","","Tan, Yan-Xi; Si, Yanan; Wang, Wenjing; Yuan, Daqiang","Tetrahedral crosslinking of dia-type nets into a zeolitic GIS-type framework for optimizing stability and gas sorption","Journal of Materials Chemistry A","2017","5","44","23276","","10.1039/C7TA08288F","","","1.54184","CuKα","","0.0463","0.0452","","","0.1093","0.1099","","","","","","1.18","","","","has coordinates","236393","2020-10-21","18:00:00",""
"7241387","19.2103","0.0003","19.2103","0.0003","16.6266","0.0005","90","","90","","90","","6135.8","0.2","296","","296.15","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C10 H6 Ag Cl4 N3 O3 -","- C10 H6 Ag Cl4 N3 O3 -","- C160 H96 Ag16 Cl64 N48 O48 -","16","0.5","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.035","0.0249","","","0.0614","0.0639","","","","","","1.052","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241389","19.3089","0.0008","19.3089","0.0008","17.5217","0.0012","90","","90","","90","","6532.7","0.6","296","","296.15","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C10 H6 Ag Br4 N3 O3 -","- C10 H6 Ag Br4 N3 O3 -","- C160 H96 Ag16 Br64 N48 O48 -","16","0.5","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0559","0.0306","","","0.0586","0.063","","","","","","1.055","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241751","33.1757","0.0004","33.1757","0.0004","10.5521","0.0002","90","","90","","90","","11613.9","0.3","130.01","0.1","130.01","0.1","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C8 H14 Ca2 O9 -","- C8 H14 Ca2 O9 -","- C256 H448 Ca64 O288 -","32","1","","Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez Arlt, Robin W.","The elusive crystals of calcium acetate hemihydrate: chiral rods linked by parallel hydrophilic strips","CrystEngComm","2021","23","3","707","713","10.1039/D0CE01590C","","x-ray","1.54184","CuKα","","0.0334","0.0293","","","0.0794","0.0829","","","","","","1.18","","","","has coordinates,has disorder","261630","2021-02-04","23:04:49",""
"7245467","17.2287","0.0005","17.2287","0.0005","50.201","0.003","90","","90","","90","","14901.1","1.1","100","0.2","100","0.2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C36 H30 Br2 N10 Ni O2 -","- C36 H30 Br2 N10 Ni O2 -","- C576 H480 Br32 N160 Ni16 O32 -","16","0.5","","Zhang, Chunyan; Liang, Qianqian; Yang, Wei; Zhang, Guohui; Hu, Maolin; Zhang, Guoying","Nickel(i)-catalyzed (de)hydrogenative coupling of amines and alkyl heteroarenes with alcohols","Green Chemistry","2022","24","19","7368","7375","10.1039/D2GC02206K","","x-ray","0.71073","MoKα","","0.1034","0.0713","","","0.1898","0.2181","","","","","","1.049","","","","has coordinates","278422","2022-10-07","00:55:47",""
"7245933","15.9403","0.001","15.9403","0.001","31.662","0.002","90","","90","","90","","8045.1","0.9","173","2","173","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C4 H6.22 B0.22 F0.89 N0.89 Rh0.22 -","- C4 H6.22222 B0.222222 F0.888889 N0.888889 Rh0.222222 -","- C288 H448 B16 F64 N64 Rh16 -","72","2.25","","Qian, Chun; Zheng, Qingshu; Chen, Jie; Tu, Bo; Tu, Tao","Coordination assembly enables highly selective catalytic hydroaminomethylation of olefins","Green Chemistry","2023","25","4","1368","1379","10.1039/D2GC04195B","","","1.34138","GaKα","","0.0427","0.0387","","","0.1083","0.1118","","","","","","1.121","","","","has coordinates,has disorder","281473","2023-03-04","18:24:22",""
"7247272","27.7261","0.0008","27.7261","0.0008","28.5384","0.0008","90","","90","","90","","21938.5","1.1","173","2","173","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C33 H53 N7 O16 S4 Zn2 -","- C22 H14 N3 O8 S4 Zn2 -","- C352 H224 N48 O128 S64 Zn32 -","16","0.5","","Liang, Yu-Jie; Liu, Liu; Yao, Jun; Deng, Min; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo","Two flexible zinc–triazole–dicarboxylate frameworks: breathing behaviors for CO2 uptake and dye adsorption properties","CrystEngComm","2023","25","36","5174","5183","10.1039/D3CE00787A","","","1.54178","CuKα","","0.0953","0.0642","","","0.1815","0.2136","","","","","","1.059","","","","has coordinates,has disorder","286730","2023-10-06","00:04:24",""
"7248129","24.31","0.003","24.31","0.003","14.016","0.002","90","","90","","90","","8283.1","1.9","100","0.1","100","0.1","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C13 H11 N2 O0.5 -","- C13 H11 N2 O0.5 -","- C416 H352 N64 O16 -","32","1","","Pawlędzio, Sylwia; Ziemniak, Marcin; Trzybiński, Damian; Arhangelskis, Mihails; Makal, Anna; Woźniak, Krzysztof","Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography","RSC Advances","2024","14","8","5340","5350","10.1039/D3RA08081A","","","0.71073","MoKα","","0.0427","0.0305","","","0.0901","0.0941","","","","","","0.911","","","","has coordinates","289799","2024-02-13","02:27:57",""
"7248130","24.31","0.002","24.31","0.002","14.016","0.002","90","","90","","90","","8283.1","1.5","100","0.1","100","0.1","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C26 H22 N4 O -","- C26 H22 N4 O -","- C416 H352 N64 O16 -","16","0.5","","Pawlędzio, Sylwia; Ziemniak, Marcin; Trzybiński, Damian; Arhangelskis, Mihails; Makal, Anna; Woźniak, Krzysztof","Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography","RSC Advances","2024","14","8","5340","5350","10.1039/D3RA08081A","","x-ray","1.54184","CuKα","","0.0548","0.0418","","","0.1226","0.128","","","","","","1.041","","","","has coordinates","289799","2024-02-13","02:27:57",""
"7703571","21.9739","0.0006","21.9739","0.0006","37.455","0.002","90","","90","","90","","18085.2","1.2","150","","150","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C32 H52 O54 Si U6 -","- C32 H12 O34 Si U6 -","- C256 H96 O272 Si8 U48 -","8","0.25","","Liu, Chao; Yang, Xin-Xue; Niu, Shuai; Yi, Xiao-Yi; Pan, Qing-Jiang","Occurrence of polyoxouranium motifs in uranyl organic networks constructed by using silicon-centered carboxylate linkers: structures, spectroscopy and computation.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4155","4163","10.1039/d0dt00379d","","","0.71073","MoKα","","0.036","0.0274","","","0.0723","0.0745","","","","","","1.065","","","","has coordinates","250293","2020-10-21","18:00:00",""
"7706205","17.9413","0.0011","17.9413","0.0011","42.212","0.002","90","","90","","90","","13587.6","1.3","100","2","100","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C44 H24 N10 Ni -","- C44 H24 N10 Ni -","- C704 H384 N160 Ni16 -","16","0.5","","Gaire, Sanjay; Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","1,3-Bis(pyridineylidene)isoindoline: an isoindoline chelate with a stretched electronic structure.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","826","829","10.1039/d0dt04347h","","","0.71073","MoKα","","0.1089","0.0531","","","0.1009","0.1154","","","","","","0.989","","","","has coordinates","261700","2021-02-04","23:20:38",""
"7707377","22.3321","0.0007","22.3321","0.0007","20.3419","0.0018","90","","90","","90","","10145","1","123","2","123","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C26 H24 Be I2 P2 -","- C26 H24 Be I2 P2 -","- C416 H384 Be16 I32 P32 -","16","0.5","","Paparo, Albert; Matthews, Aidan J. R.; Smith, Cory D.; Edwards, Alison J.; Yuvaraj, K.; Jones, Cameron","N-Heterocyclic carbene, carbodiphosphorane and diphosphine adducts of beryllium dihalides: synthesis, characterisation and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7604","7609","10.1039/d1dt01393a","","","0.71073","MoKα","","0.1213","0.1005","","","0.2136","0.2251","","","","","","1.155","","","","has coordinates","267150","2021-07-05","17:31:19",""
"7710199","17.2932","0.0004","17.2932","0.0004","41.5378","0.0012","90","","90","","90","","12422.1","0.5","100","2","100","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C48 H56 N44 Ni4 -","- C48 H56 N44 Ni4 -","- C384 H448 N352 Ni32 -","8","0.25","","Wang, Te; Yao, Binling; Guo, Zhilin; Chang, Xiaoyong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Self-assembly of Ni(ii) metallacycles (a square and a triangle) supported by tetrazine radical bridges","Dalton Transactions","2022","","","","","10.1039/D2DT00221C","","","1.54178","CuKα","","0.0604","0.0429","","","0.1087","0.1196","","","","","","1.047","","","","has coordinates","275085","2022-05-05","22:50:29",""
"7711677","26.8287","0.0005","26.8287","0.0005","40.8233","0.0008","90","","90","","90","","29383.8","1","296","2","296","2","","","","","","","","8","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H67 Fe10 Mo24 N4 Na6 O141 P17 -","- C20 H15 Fe10 Mo24 N4 Na6 O141 P17 -","- C160 H120 Fe80 Mo192 N32 Na48 O1128 P136 -","8","0.25","","Guo, Hui-li; Xing, Xiao-Xiao; Mao, Shao-Xu; Feng, Tong; Fan, Yanhua; Qin, Zhijie; Pang, Jingyu; Bai, Yan; Dang, Dong-Bin","Two Three-dimensional Fe(II) Frameworks Based on {P4Mo6} Tetrameric Clusters Exhibiting Efficient Visible-light Photocatalytic Properties for the Degradation of Cr(VI) and Methylene Blue","Dalton Transactions","2022","","","","","10.1039/D2DT02664C","","","0.71073","MoKα","","0.0559","0.0414","","","0.1041","0.113","","","","","","1.022","","","","has coordinates","278916","2022-11-02","23:49:32",""
"7711678","26.6013","0.0007","26.6013","0.0007","43.3793","0.0015","90","","90","","90","","30696.5","1.6","150","2","150.01","","","","","","","","","8","I 41/a c d :2","-I 4bd 2c","142","","","","- C60 H78 Fe6 Mo24 N10 Na4 O136 P17 -","- C24 H28 Fe6 Mo24 N4 Na4 O132 P17 -","- C192 H224 Fe48 Mo192 N32 Na32 O1056 P136 -","8","0.25","","Guo, Hui-li; Xing, Xiao-Xiao; Mao, Shao-Xu; Feng, Tong; Fan, Yanhua; Qin, Zhijie; Pang, Jingyu; Bai, Yan; Dang, Dong-Bin","Two Three-dimensional Fe(II) Frameworks Based on {P4Mo6} Tetrameric Clusters Exhibiting Efficient Visible-light Photocatalytic Properties for the Degradation of Cr(VI) and Methylene Blue","Dalton Transactions","2022","","","","","10.1039/D2DT02664C","","","0.71073","MoKα","","0.0908","0.0564","","","0.1107","0.1268","","","","","","1.0486","","","","has coordinates","278916","2022-11-02","23:49:33",""
"7711688","11.5042","0.0006","11.5042","0.0006","19.969","0.0018","90","","90","","90","","2642.8","0.3","273.15","","273.15","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Li P S4 Sr -","- Li P S4 Sr -","- Li16 P16 S64 Sr16 -","16","0.5","","Huang, Yi; Huang, Junben; Zhang, Yong","Wide band gap thiophosphates ASrPS<sub>4</sub> (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation.","Dalton transactions (Cambridge, England : 2003)","2022","51","39","15067","15073","10.1039/d2dt02321k","","","0.71073","MoKα","","0.0397","0.0236","","","0.0636","0.071","","","","","","1.002","","","","has coordinates","278951","2022-11-05","16:37:10",""
"7713686","32.0378","0.001","32.0378","0.001","23.4142","0.0011","90","","90","","90","","24032.8","1.5","100","2","100","2","","","","","","","","8","I 41/a c d :2","-I 4bd 2c","142","","","","- C27.2 H24.97 Cl0.5 F3 Ga N4 O7.28 P0.5 -","- C27.2 H24.9666 Cl0.5 F3 Ga N4 O7.2833 P0.5 -","- C870.4 H798.931 Cl16 F96 Ga32 N128 O233.066 P16 -","32","1","","More O'Ferrall, Lewis; Piatek, Magdalena; Twamley, Brendan; Kavanagh, Kevin; O'Connor, Christine; Griffith, Darren Martin","Synthesis, characterisation and antibacterial activity of novel Ga(III) polypyridyl catecholate complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01761C","","x-ray","0.71073","MoKα","K-L~3~","0.0881","0.0652","","","0.1767","0.1949","","","","","","1.073","","","","has coordinates,has disorder","285591","2023-08-08","22:56:39",""
"7713687","24.1902","0.0011","24.1902","0.0011","22.8468","0.0012","90","","90","","90","","13369.2","1.1","203","2","203","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C56 H48 Cu4 N4 S8 -","- C56 H48 Cu4 N4 S8 -","- C448 H384 Cu32 N32 S64 -","8","0.25","","Khanzadeh, Atousa; Ataie, Saeed; Baker, R. Tom","Tetracopper(I) thiolate- and amido-(SNS) complexes and copper-catalyzed azide-alkyne cycloaddition in water","Dalton Transactions","2023","","","","","10.1039/D3DT01651J","","","0.71073","MoKα","","0.1684","0.1409","","","0.321","0.3352","","","","","","1.134","","","","has coordinates,has disorder","285592","2023-08-08","22:57:35",""
"7714769","37.7905","0.0013","37.7905","0.0013","61.582","0.002","90","","90","","90","","87947","5","150","2","150","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C142 H300 Dy12 Fe8 N40 O102 -","- C130 H272 Dy12 Fe8 N36 O98 -","- C2080 H4352 Dy192 Fe128 N576 O1568 -","16","0.5","","Peng, Yan; Braun, Jonas; Schulze, Michael; Kaemmerer, Hagen; Schneider, Yannik F.; Anson, Christopher E.; Wernsdorfer, Wolfgang; Powell, Annie K.","A nested spin structure and single molecule magnet behaviour in an Fe<sub>8</sub>Dy<sub>12</sub> heterometallic cyclic coordination cluster.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","894","897","10.1039/d3dt04141g","","","0.79942","synchrotron","","0.0766","0.0575","","","0.1763","0.1996","","","","","","1.576","","","","has coordinates,has disorder","289544","2024-02-04","12:06:29",""
"7715802","29.5507","0.0006","29.5507","","26.1095","0.0006","90","","90","","90","","22800","0.7","150","2","150","2","","","","","","","synthesis as described","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C58 H38 F18 O8 P2 Yb -","- C58 H38 F18 O8 P2 Yb -","- C928 H608 F288 O128 P32 Yb16 -","16","0.5","","Flichot, Hadrien; Sickinger, Annika; Brom, Jules; Lefeuvre, Bertrand; Dorcet, Vincent; Guizouarn, Thierry; Cador, Olivier; Le Guennic, Boris; Micouin, Laurent; Maury, Olivier; Benedetti, Erica; Pointillart, Fabrice","Magneto-structural correlation in lanthanide luminescent [2.2]paracyclophane-based single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8191","8201","10.1039/d4dt00536h","","x-ray","0.71073","MoKα","","0.0813","0.071","","","0.1982","0.2057","","","","","","1.087","","","","has coordinates,has disorder","293053","2024-07-05","16:17:54",""
"7715954","18.914","0.0002","18.914","0.0002","27.7587","0.0004","90","","90","","90","","9930.4","0.2","100.02","0.1","100.02","0.1","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H16 B4 F8 N6 O2 -","- C24 H16 B4 F8 N6 O2 -","- C384 H256 B64 F128 N96 O32 -","16","0.5","","Cui, Luxia; Furuta, Ryoji; Harada, Takunori; Konta, Takeru; Hoshino, Yu; Ono, Toshikazu","Simultaneous discovery of chiral and achiral dyes: elucidating the optical functions of helical and flag-hinged boron tetradentate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9183","9191","10.1039/d4dt01172d","","x-ray","1.54184","CuKα","","0.0443","0.0418","","","0.1248","0.127","","","","","","1.081","","","","has coordinates","293157","2024-07-05","17:01:51",""
"7716388","21.7704","0.0009","21.7704","0.0009","37.9027","0.0007","90","","90","","90","","17964","1.1","130","2","130","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C34 H44 Cl4 Co2 N6 O12 -","- C34 H44 Cl4 Co2 N6 O12 -","- C544 H704 Cl64 Co32 N96 O192 -","16","0.5","","Ghasemzadeh, Roghayyeh; Akhbari, Kamran; Kawata, Satoshi","Ag@MUT-16 nanocomposite as a Fenton-like and plasmonic photocatalyst for degradation of Quinoline Yellow under visible light.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","11094","11111","10.1039/d4dt00322e","","","0.71075","MoKα","","0.0844","0.0785","","","0.1832","0.1868","","","","","","1.217","","","","has coordinates,has disorder","293033","2024-07-05","16:09:07",""
"7716939","28.0983","0.0006","28.0983","0.0006","14.933","0.0003","90","","90","","90","","11789.8","0.4","100","","100","","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C56 H36 Cl12 F6 N4 Si Zn -","- C56 H36 Cl12 F6 N4 Si Zn -","- C448 H288 Cl96 F48 N32 Si8 Zn8 -","8","0.25","","Gupta, Gajendra; Paul, Anup; Gupta, Ajay; Lee, Junseong; Lee, Chang Yeon","Removal of organic dyes from aqueous solution using a novel pyrene appended Zn(ii)-based metal–organic framework and its photocatalytic properties","Dalton Transactions","2024","53","37","15732","15741","10.1039/D4DT01869A","","","0.71073","MoKα","","0.2037","0.0785","","","0.2041","0.2773","","","","","","1.028","","","","has coordinates","295246","2024-10-06","07:56:08",""
"7718092","22.6881","0.0006","22.6881","0.0006","12.7247","0.0006","90","","90","","90","","6550","0.4","100","2","100","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C15.25 H10.88 N8.25 O0.31 Zn -","- C14 H10 N8 Zn -","- C224 H160 N128 Zn16 -","16","0.5","","Seuffert, Marcel; Sedykh, Alexander E.; Schäfer, Thomas; Becker, Jonathan; Müller-Buschbaum, Klaus","Homoleptic Coordination Polymers and Complexes of Transition Metals with 2-(1,2,4-1H-triazol-3-yl) pyridine and Tuning towards White-Light Emission","Dalton Transactions","2025","","","","","10.1039/D4DT03149K","","","0.71073","MoKα","","0.0421","0.0311","","","0.0707","0.075","","","","","","1.066","","","","has coordinates,has disorder","297788","2025-02-20","00:08:08",""
"8100493","9.464","0.004","9.464","0.004","18.78","0.03","90","","90","","90","","1682","3","300","2","","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga0.7 Ge0.4 Mn6.3 O12 Si0.6 -","- Ga0.698 Ge0.406 Mn6.302 O12 Si0.594 -","- Ga5.584 Ge3.248 Mn50.416 O96 Si4.752 -","8","0.25","","Wartchow, Rudolf; Müller, Lena; Binnewies, Michael","Crystal structure of manganese gallium germanium silicon oxide (garnet type), Mn~3~(Ga~2-y~Mn~y~)(Ge~3-z~Si~z~)O~12~ (y = 0.6, z = 0.14; y = 0.44, z = 0), and of manganese gallium germanium silicon oxide (braunite type), Mn(Mn~6-y~Ga~y~)(Si~1-z~Ge~z~)O~12~ (y = 0.7, z = 0.4)","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","373","375","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100944","10.29","0.002","10.29","0.002","37.722","0.015","90","","90","","90","","3993.9","1.9","148","2","148","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","Tetrapropylhexathiaadamantane","","","- C16 H28 S6 -","- C16 H28 S6 -","- C128 H224 S48 -","8","0.25","","Mahjoub, Ahmed; Zantour, Hédi","Crystal structure of 1,3,5,7-tetrapropyl-2,4,6,8,9,10-hexathiaadamantane, C~4~S~6~(CH~2~CH~2~CH~3~)~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","271","272","","","","","","","","0.0246","","","0.0631","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101628","10.475","0.001","10.475","0.001","17.412","0.002","90","","90","","90","","1910.5","0.6","","","295","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","sodium stannide","","","- Na4 Sn4 -","- Na4 Sn4 -","- Na32 Sn32 -","8","0.25","","Baitinger, M.; von Schnering, H. G.; Grin, Yu.; Kniep, R.","Redetermination of the crystal structure of tetrasodium tetrahedro- tetrastannide, Na~4~Sn~4~ and tetrapotassium tetrahedro-tetrastannide, K~4~Sn~4~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","453","454","","","","","","","","0.058","","","0.058","","","","","","","","","","","has coordinates","191974","2020-10-21","18:00:00",""
"8101629","11.409","0.001","11.409","0.001","18.649","0.002","90","","90","","90","","2427.5","0.7","","","295","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","potassium stannide","","","- K4 Sn4 -","- K4 Sn4 -","- K32 Sn32 -","8","0.25","","Baitinger, M.; von Schnering, H. G.; Grin, Yu.; Kniep, R.","Redetermination of the crystal structure of tetrasodium tetrahedro- tetrastannide, Na~4~Sn~4~ and tetrapotassium tetrahedro-tetrastannide, K~4~Sn~4~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","453","454","","","","","","","","0.036","","","0.036","","","","","","","","","","","has coordinates","191974","2020-10-21","18:00:00",""
"8101630","11.892","0.001","11.892","0.001","19.429","0.002","90","","90","","90","","2747.6","0.8","","","295","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","Rubidium plumbide","","","- Pb4 Rb4 -","- Pb4 Rb4 -","- Pb32 Rb32 -","8","0.25","","Baitinger, M.; Peters, K.; Somer, M.; von Schnering, H. G.; Carillo-Cabrera, W.; Grin, Yu.; Kniep, R.","Crystal structure of tetrarubidium tetrahedro-tetraplumbide, Rb~4~Pb~4~ and of tetracaesium tetrahedro-tetraplumbide, Cs~4~Pb~4~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","455","456","","","","","","","","0.0375","","","0.0375","","","","","","","","","","","has coordinates","191974","2020-10-21","18:00:00",""
"8101631","11.757","0.001","11.757","0.001","19.215","0.002","90","","90","","90","","2656","0.7","","","295","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","rubidium stannide","","","- Rb16 Sn16 -","- Rb16 Sn16 -","- Rb32 Sn32 -","2","0.0625","","Baitinger, M.; Grin, Yu.; von Schnering, H. G.; Kniep, R.","Crystal structure of tetrarubidium tetrahedro-tetrastannide, Rb~4~Sn~4~ and of tetracaesium tetrahedro-tetrastannide, Cs~4~Sn~4~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","457","458","","","","","","","","0.0532","","","0.0532","","","","","","","","","","","has coordinates","191974","2020-10-21","18:00:00",""
"8101632","12.122","0.001","12.122","0.001","19.82","0.002","90","","90","","90","","2912.4","0.8","295","","295","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","Caesium stannide","","","- Cs16 Sn16 -","- Cs4 Sn4 -","- Cs32 Sn32 -","8","0.25","","Baitinger, M.; Grin, Yu.; von Schnering, H. G.; Kniep, R.","Crystal structure of tetrarubidium tetrahedro-tetrastannide, Rb~4~Sn~4~ and of tetracaesium tetrahedro-tetrastannide, Cs~4~Sn~4~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","457","458","","","","","","","","0.0671","","","0.0671","","","","","","","","","","","has coordinates","191974","2020-10-21","18:00:00",""
"8101667","20.783","0.001","20.783","0.001","25.952","0.002","90","","90","","90","","11209.5","1.2","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C30 H34 Si2 Zr -","- C30 H34 Si2 Zr -","- C480 H544 Si32 Zr16 -","16","0.5","","Kempe, Rhett; Spannenberg, Anke; Kosse, Peer; Peulecke, Normen; Rosenthal, Uwe","Crystal structure of 2,2-bis(η^5^-2,4-cyclopentadiene-1-yl)- 2,5-bis(dimethylsilyl)-3,4-bis(phenyl)zirconacyclopentadiene, C~30~H~34~Si~2~Zr","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","4","789","790","","","","","","","","0.0352","","","0.083","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102975","15.888","0.002","15.888","0.002","21.014","0.003","90","","90","","90","","5304.5","1.2","153","2","153","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","decalanthanum oxide tetradecaselenide","decalanthanum monooxide tetradecaselenide","","- La10 O Se14 -","- La10 O Se14 -","- La80 O8 Se112 -","8","0.25","","Wu, Li-Bin; Huang, Fu-Qiang","Refinement of the crystal structure of decalanthanum monooxide tetradecaselenide, La~10~OSe~14~, at 153 K","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","175","176","","","","0.71073","MoKα","","0.0242","0.02","","","0.0425","0.0439","","","","","","1.111","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8104340","9.367","","9.367","","18.58269","","90","","90","","90","","1630.46","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Mn7 O8 (Si O4)","","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.25","","Ohmann, S.; Abs-Wurmbach, I.; Stuesser, N.; Westerholt, K.; Sabine, T.M.","The magnetic structure of braunite Mn2+ (Mn3+)6 O8 / Si O4","Zeitschrift fuer Kristallographie (149,1979-)","1998","213","","19","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9000473","9.432","","9.432","","18.703","","90","","90","","90","","1663.87","","","","","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","Braunite","- Ca0.01 Fe0.18 Mg0.13 Mn6.68 O12 Si -","- Ca0.01 Fe0.18 Mg0.13 Mn6.68 O12 Si -","- Ca0.08 Fe1.44 Mg1.04 Mn53.44 O96 Si8 -","8","0.25","","de Villiers, J. P. R.","The crystal structure of braunite with reference to its solid-solution behavior","American Mineralogist","1975","60","","1098","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000532","9.408","","9.408","","18.668","","90","","90","","90","","1652.31","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","Braunite","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.25","","Moore, P. B.; Araki, T.","Braunite: its structure and relationship to bixbyite, and some insights on the genealogy of fluorite derivative structures","American Mineralogist","1976","61","","1226","1240","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000642","13.723","","13.723","","13.686","","90","","90","","90","","2577.36","","","","","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","Analcime","- Al1.88 H4 Na1.87 O14 Si4.12 -","- Al1.88 H4 Na1.87 O14 Si4.12 -","- Al15.04 H32 Na14.96 O112 Si32.96 -","8","0.25","","Mazzi, F.; Galli, E.","Is each analcime different? ANA 1","American Mineralogist","1978","63","","448","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:26",""
"9000643","13.727","","13.727","","13.686","","90","","90","","90","","2578.86","","","","","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","Analcime","- Al1.68 H4 Na1.85 O14 Si4.32 -","- Al1.68 H4 Na1.85 O14 Si4.32 -","- Al13.44 H32 Na14.8 O112 Si34.56 -","8","0.25","","Mazzi, F.; Galli, E.","Is each analcime different? ANA 2","American Mineralogist","1978","63","","448","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:26",""
"9000644","13.729","","13.729","","13.709","","90","","90","","90","","2583.95","","","","","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","Analcime","- Al1.6 H4 Na2.06 O14 Si4.4 -","- Al1.6 H4 Na2.06 O14 Si4.4 -","- Al12.8 H32 Na16.48 O112 Si35.2 -","8","0.25","","Mazzi, F.; Galli, E.","Is each analcime different? ANA 3","American Mineralogist","1978","63","","448","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:26",""
"9000646","13.728","","13.728","","13.722","","90","","90","","90","","2586.02","","","","","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","Analcime","- Al2 H4 Na2.04 O14 Si4 -","- Al2 H4 Na2.04 O14 Si4 -","- Al16 H32 Na16.32 O112 Si32 -","8","0.25","","Mazzi, F.; Galli, E.","Is each analcime different? ANA 5","American Mineralogist","1978","63","","448","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:26",""
"9000647","13.721","","13.721","","13.735","","90","","90","","90","","2585.83","","","","","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","Analcime","- Al1.98 H4 Na1.99 O14 Si4.02 -","- Al1.98 H4 Na1.99 O14 Si4.02 -","- Al15.84 H32 Na15.92 O112 Si32.16 -","8","0.25","","Mazzi, F.; Galli, E.","Is each analcime different? ANA 6","American Mineralogist","1978","63","","448","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:26",""
"9000774","9.431","","9.431","","37.774","","90","","90","","90","","3359.76","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","Braunite","- Fe2.38 Mn11.62 O24 Si -","- Fe2.38 Mn11.62 O24 Si -","- Fe19.04 Mn92.96 O192 Si8 -","8","0.25","","de Villiers, J. P. R.","The crystal structure of braunite II and its relation to bixbyite and braunite","American Mineralogist","1980","65","","756","765","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9001409","11.6207","","11.6207","","11.623","","90","","90","","90","","1569.58","","","","","","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","Garnet","- Al2 Ca0.75 Fe1.89 Mg0.24 Mn0.09 O12 Si3 -","- Al2 Ca0.75 Fe1.89 Mg0.24 Mn0.09 O12 Si3 -","- Al16 Ca6 Fe15.12 Mg1.92 Mn0.72 O96 Si24 -","8","0.25","","Griffen, D. T.; Hatch, D. M.; Phillips, W. R.; Kulaksiz, S.","Crystal chemistry and symmetry of a birefringent tetragonal pyralspite75-grandite25 garnet","American Mineralogist","1992","77","","399","406","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9002000","13.7295","","13.7295","","13.7036","","90","","90","","90","","2583.12","","","","298","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","Analcime","- Al1.9 H4 Na1.95 O14 Si4.1 -","- Al1.9 H4 Na1.95 O14 Si4.1 -","- Al15.2 H32 Na15.6 O112 Si32.8 -","8","0.25","","Cruciani, G.; Gualtieri, A.","Dehydration dynamics of analcime by in situ synchrotron powder diffraction Sample at T = 298 K","American Mineralogist","1999","84","","112","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:26",""
"9002001","13.6717","","13.6717","","13.5996","","90","","90","","90","","2541.97","","","","632","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","Analcime","- Al0.95 H4 Na0.9 O6.22 Si2.05 -","- Al0.95 H0.22 Na0.9 O6.11 Si2.05 -","- Al15.2 H3.52 Na14.4 O97.76 Si32.8 -","16","0.5","","Cruciani, G.; Gualtieri, A.","Dehydration dynamics of analcime by in situ synchrotron powder diffraction Sample at T = 632 K","American Mineralogist","1999","84","","112","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176465","2020-10-21","18:00:00",""
"9002002","13.6251","","13.6251","","13.587","","90","","90","","90","","2522.34","","","","921","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","Analcime","- Al1.9 Na1.86 O12 Si4.1 -","- Al1.9 Na1.86 O12 Si4.1 -","- Al15.2 Na14.88 O96 Si32.8 -","8","0.25","","Cruciani, G.; Gualtieri, A.","Dehydration dynamics of analcime by in situ synchrotron powder diffraction Sample at T = 921 K","American Mineralogist","1999","84","","112","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:13:12",""
"9002193","11.4833","","11.4833","","11.4833","","90","","90","","90","","1514.26","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","Majorite","- Al1.252 Mg3.374 O12 Si3.374 -","- Al1.252 Mg3.374 O12 Si3.374 -","- Al10.016 Mg26.992 O96 Si26.992 -","8","0.25","","Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.; Ohtaka, O.; Katsura, T.; Ito, E.","Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3 Sample: x = .38","American Mineralogist","1999","84","","1135","1143","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002194","11.4876","","11.4876","","11.4876","","90","","90","","90","","1515.96","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","Majorite","- Al0.96 Mg3.52 O12 Si3.52 -","- Al0.96 Mg3.52 O12 Si3.52 -","- Al7.68 Mg28.16 O96 Si28.16 -","8","0.25","","Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.; Ohtaka, O.; Katsura, T.; Ito, E.","Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3 Sample: x = .52","American Mineralogist","1999","84","","1135","1143","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002195","11.4891","","11.4891","","11.4891","","90","","90","","90","","1516.56","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","Majorite","- Al0.72 Mg3.64 O12 Si3.64 -","- Al0.72 Mg3.64 O12 Si3.64 -","- Al5.76 Mg29.12 O96 Si29.12 -","8","0.25","","Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.; Ohtaka, O.; Katsura, T.; Ito, E.","Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3 Sample: x = .64","American Mineralogist","1999","84","","1135","1143","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002530","12.468","","12.468","","11.894","","90","","90","","90","","1848.93","","","","100","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","Henritermierite","- Al0.066 Ca3 H3.8 Mn1.934 O11.992 Si2.044 -","- Al0.066 Ca3 H3.8 Mn1.934 O11.992 Si2.044 -","- Al0.528 Ca24 H30.4 Mn15.472 O95.936 Si16.352 -","8","0.25","","Armbruster, T.; Kohler, T.; Libowitzky, E.; Friedrich, A.; Miletich, R.; Kunz, M.; Medenbach, O.; Gutzmer, J.","Structure, compressibility, hydrogen bonding, and dehydration of the tetragonal Mn3+ hydrogarnet, henritermierite Sample: T = 100 K","American Mineralogist","2001","86","","147","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002531","12.489","","12.489","","11.909","","90","","90","","90","","1857.51","","","","293","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","Henritermierite","- Al0.066 Ca3 H3.8 Mn1.934 O11.964 Si2.047 -","- Al0.066 Ca3 H3.8 Mn1.934 O11.964 Si2.047 -","- Al0.528 Ca24 H30.4 Mn15.472 O95.712 Si16.376 -","8","0.25","","Armbruster, T.; Kohler, T.; Libowitzky, E.; Friedrich, A.; Miletich, R.; Kunz, M.; Medenbach, O.; Gutzmer, J.","Structure, compressibility, hydrogen bonding, and dehydration of the tetragonal Mn3+ hydrogarnet, henritermierite Sample: T = 293 K","American Mineralogist","2001","86","","147","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002532","12.1577","","12.1577","","11.6919","","90","","90","","90","","1728.18","","","","","","","","8600000","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","Henritermierite","- Ca3 H3.8 Mn2 O12 Si1.941 -","- Ca3 H3.8 Mn2 O12 Si1.941 -","- Ca24 H30.4 Mn16 O96 Si15.528 -","8","0.25","","Armbruster, T.; Kohler, T.; Libowitzky, E.; Friedrich, A.; Miletich, R.; Kunz, M.; Medenbach, O.; Gutzmer, J.","Structure, compressibility, hydrogen bonding, and dehydration of the tetragonal Mn3+ hydrogarnet, henritermierite Sample: P = 8.6 GPa","American Mineralogist","2001","86","","147","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9005075","9.468","","9.468","","18.862","","90","","90","","90","","1690.85","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","Neltnerite","- Ca0.95 Mn6.05 O12 Si -","- Ca0.95 Mn6.05 O12 Si -","- Ca7.6 Mn48.4 O96 Si8 -","8","0.25","","de Villiers, J. P. R.; Dobson, S. M.; Buseck, P. R.","Refinement of the crystal structure of neltnerite, a member of the bixbyite-braunite group of minerals","European Journal of Mineralogy","1991","3","","567","573","10.1127/ejm/3/3/0567","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005601","13.712","","13.712","","13.681","","90","","90","","90","","2572.29","","","","443.15","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","Wairakite","- Al2 Ca0.928 H4 Na0.06 O14 Si4 -","- Al2 Ca0.928 H4 Na0.06 O14 Si4 -","- Al16 Ca7.424 H32 Na0.48 O112 Si32 -","8","0.25","","Seryotkin, Y. V.; Joswig, W.; Bakakin, V. V.; Belitsky, I. A.; Fursenko, B. A.","High-temperature crystal structure of wairakite Sample: Wai-170, T = 170 deg C","European Journal of Mineralogy","2003","15","","475","484","10.1127/0935-1221/2003/0015-0475","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:55",""
"9005602","13.713","","13.713","","13.687","","90","","90","","90","","2573.79","","","","483.15","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","Wairakite","- Al2 Ca0.922 H4 Na0.08 O14 Si4 -","- Al2 Ca0.922 H4 Na0.08 O14 Si4 -","- Al16 Ca7.376 H32 Na0.64 O112 Si32 -","8","0.25","","Seryotkin, Y. V.; Joswig, W.; Bakakin, V. V.; Belitsky, I. A.; Fursenko, B. A.","High-temperature crystal structure of wairakite Sample: Wai-210, T = 210 deg C","European Journal of Mineralogy","2003","15","","475","484","10.1127/0935-1221/2003/0015-0475","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:43",""
"9005603","13.662","","13.662","","13.555","","90","","90","","90","","2530.04","","","","673.15","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","Wairakite","- Al Ca0.473 H2 O6.31 Si2 -","- Al Ca0.473 H0.62 O6.31 Si2 -","- Al16 Ca7.568 H9.92 O100.96 Si32 -","16","0.5","","Seryotkin, Y. V.; Joswig, W.; Bakakin, V. V.; Belitsky, I. A.; Fursenko, B. A.","High-temperature crystal structure of wairakite Sample: Wai-400, T = 400 deg C","European Journal of Mineralogy","2003","15","","475","484","10.1127/0935-1221/2003/0015-0475","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005604","13.645","","13.645","","13.515","","90","","90","","90","","2516.3","","","","873.15","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","Wairakite","- Al Ca0.479 O6 Si2 -","- Al Ca0.479 O6 Si2 -","- Al16 Ca7.664 O96 Si32 -","16","0.5","","Seryotkin, Y. V.; Joswig, W.; Bakakin, V. V.; Belitsky, I. A.; Fursenko, B. A.","High-temperature crystal structure of wairakite Sample: Wai-600, T = 600 deg C","European Journal of Mineralogy","2003","15","","475","484","10.1127/0935-1221/2003/0015-0475","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005710","12.337","","12.337","","11.93","","90","","90","","90","","1815.77","","","","","","","","","","","","Wessels Mine, South Africa","6","I 41/a c d :2","-I 4bd 2c","142","","","Holtstamite","- Al0.994 Ca3 H4 Mn1.006 O12 Si1.95 -","- Al0.994 Ca3 H4 Mn1.006 O12 Si1.95 -","- Al7.952 Ca24 H32 Mn8.048 O96 Si15.6 -","8","0.25","","Halenius, U.; Haussermann, U.; Harryson, H.","Holtstamite, Ca3(Al,Mn3+)2(SiO4)3-x(H4O4)x, a new tetragonal hydrogarnet from Wessels Mine, South Africa","European Journal of Mineralogy","2005","17","","375","382","10.1127/0935-1221/2005/0017-0375","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9006541","9.4264","","9.4264","","18.6962","","90","","90","","90","","1661.29","","","","","","","","100","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","Braunite","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample in air: P = 0.0001 GPa","Physics and Chemistry of Minerals","1998","25","","183","192","10.1007/s002690050101","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006542","9.4266","","9.4266","","18.6952","","90","","90","","90","","1661.27","","","","","","","","100","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","Braunite","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample in Diamond Anvil Cell without pressure medium: P = 0.0001 GPa","Physics and Chemistry of Minerals","1998","25","","183","192","10.1007/s002690050101","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006543","9.4007","","9.4007","","18.6574","","90","","90","","90","","1648.81","","","","","","","","1380000","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","Braunite","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 1.38 GPa","Physics and Chemistry of Minerals","1998","25","","183","192","10.1007/s002690050101","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006544","9.3786","","9.3786","","18.6234","","90","","90","","90","","1638.08","","","","","","","","2660000","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","Braunite","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 2.66 GPa","Physics and Chemistry of Minerals","1998","25","","183","192","10.1007/s002690050101","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006545","9.348","","9.348","","18.5739","","90","","90","","90","","1623.08","","","","","","","","4510000","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","Braunite","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 4.51 GPa","Physics and Chemistry of Minerals","1998","25","","183","192","10.1007/s002690050101","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006546","9.3309","","9.3309","","18.5455","","90","","90","","90","","1614.68","","","","","","","","5630000","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","Braunite","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 5.63 GPa","Physics and Chemistry of Minerals","1998","25","","183","192","10.1007/s002690050101","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006547","9.2998","","9.2998","","18.4957","","90","","90","","90","","1599.62","","","","","","","","7690000","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","Braunite","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 7.69 GPa","Physics and Chemistry of Minerals","1998","25","","183","192","10.1007/s002690050101","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9009262","9.406","","9.406","","18.546","","90","","90","","90","","1640.82","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","Abswurmbachite","- Cu0.56 Mn6.44 O12 Si -","- Cu0.56 Mn6.44 O12 Si -","- Cu4.48 Mn51.52 O96 Si8 -","8","0.25","","Reinecke, T.; Tillmanns, E.; Bernhardt, H. J.","Abswurmbachite, CuMn6[O8/SiO4], a new mineral of the braunite group: natural occurrence, synthesis, and crystal structure","Neues Jahrbuch fur Mineralogie, Abhandlungen","1991","163","","117","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009286","11.8","","11.8","","15.1","","90","","90","","90","","2102.52","","","","","","","","","","","","Synthetic","4","I 41/a c d :2","-I 4bd 2c","142","","","Mackayite","- Fe H O6 Te2 -","- Fe H O6 Te2 -","- Fe16 H16 O96 Te32 -","16","0.5","","Pertlik, F.; Gieren, A.","Verfeinerung der kristallstruktur von mackayite Fe(OH)[Te2O5]","Neues Jahrbuch fur Mineralogie, Monatshefte","1977","1977","","145","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:22",""
"9009566","11.704","","11.704","","14.984","","90","","90","","90","","2052.56","","","","","","","","","","","","Synthetic","4","I 41/a c d :2","-I 4bd 2c","142","","","Mackayite","- Fe H O6 Te2 -","- Fe H O6 Te2 -","- Fe16 H16 O96 Te32 -","16","0.5","","Pertlik, F.","Hydrothermalsynthese, formel und struktur von mackayit, Fe(OH)[Te2O5]","Tschermaks Mineralogische und Petrographische Mitteilungen","1969","13","","219","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9010669","19.208","","19.208","","27.2158","","90","","90","","90","","10041.2","","","","","","","","","","","","Madeni Zakh, Iran","7","I 41/a c d :2","-I 4bd 2c","142","","","Pertlikite","- Al Fe4.47 H84 K2 Mg3.53 O66.252 S12 -","- Al Fe4.47 H36.504 K2 Mg3.53 O66.252 S12 -","- Al8 Fe35.76 H292.032 K16 Mg28.24 O530.016 S96 -","8","0.25","","Ertl, A.; Dyar, M. D.; Hughes, J. M.; Brandstatter, F.; Gunter, M. E.; Prem, M.; Peterson, R. C.","Pertlikite, a new tetragonal Mg-rich member of the voltaite group from Madeni Zakh, Iran Locality: Madeni Zakh, Iran","The Canadian Mineralogist","2008","46","","661","669","10.3749/canmin.46.3.661","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9012197","15.553","","15.553","","23.11","","90","","90","","90","","5590.21","","","","15","","","","","","","","Tatabanya, Hungary","4","I 41/a c d :2","-I 4bd 2c","142","","","Mellite","- C6 H16 Al O14 -","- C6 H16 Al O14 -","- C96 H256 Al16 O224 -","16","0.5","","Robl, C.; Kuhs, W. F.","A neutron diffraction study on hydrogen bonding in the mineral mellite (Al2[C6(COO)6]*16H2O) at 15 K Sample: T = 15 K Locality: Tatabanya, Hungary","Journal of Solid State Chemistry","1991","92","","101","109","10.1016/0022-4596(91)90246-E","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9014706","18.118","","18.118","","11.32","","90","","90","","90","","3715.93","","","","","","","","","","","","La Fossa Crater, Vulcano, Aeolian Islands, Italy","7","I 41/a c d :2","-I 4bd 2c","142","","","Adranosite","- Al2 Cl H18 N4 Na O18 S4 -","- Al2 Cl H18 N4 Na O18 S4 -","- Al16 Cl8 H144 N32 Na8 O144 S32 -","8","0.25","","Demartin, F.; Gramaccioli, C. M.; Campostrini, I.","Adranosite, (NH4)4NaAl2(SO4)4Cl(OH)2, a new ammonium sulfate chloride from La Fossa Crater, Vulcano, Aeolian Islands, Italy","The Canadian Mineralogist","2010","48","","315","321","10.3749/canmin.48.2.315","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014739","13.019","","13.019","","12.899","","90","","90","","90","","2186.31","","","","","","","","","","","","Upper Dara-Pioz alkaline massif, Garm district, Tajikistan","4","I 41/a c d :2","-I 4bd 2c","142","","","Kirchhoffite","- B Cs O6 Si2 -","- B Cs O6 Si2 -","- B16 Cs16 O96 Si32 -","16","0.5","","Agakhanov, A. A.; Pautov, L. A.; Karpenko, V. Y.; Sokolova, E.; Hawthorne, F. C.","Kirchhoffite, CsBSi2O6, a new mineral species from the Darai-Pioz Alkaline Massif,Tajikistan: Description and crystal structure","The Canadian Mineralogist","2012","50","","523","529","10.3749/canmin.50.2.523","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015584","15.207","","15.207","","10.114","","90","","90","","90","","2338.89","","","","","","","","","","","","Rocca Castellaccio, Val Malenco, Sondrio, Italy","4","I 41/a c d :2","-I 4bd 2c","142","","","Calzirtite","- Ca O8 Ti Zr2.5 -","- Ca O8 Ti Zr2.5 -","- Ca16 O128 Ti16 Zr40 -","16","0.5","","Callegari, A.; Mazzi, F.; Ungaretti, P.","The crystal structure of orthorhombic calzirtite from Val Malenco (Italy) Note: crystal n.2","Neues Jahrbuch fur Mineralogie, Monatshefte","1997","1997","","467","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015819","15.189","","15.189","","10.111","","90","","90","","90","","2332.67","","","","","","","","","","","","Zelenets mine of the South Ural massif's Kusa titanium-","4","I 41/a c d :2","-I 4bd 2c","142","","","Calzirtite","- Ca O8 Ti Zr2.5 -","- Ca O8 Ti Zr2.5 -","- Ca16 O128 Ti16 Zr40 -","16","0.5","","Rastsvetaeva, R. K.; Pushcharovskii, D. Y.; Spiridonov, E. M.; Gekimyants, V. M.","Crystal structure of ordered calzirtite Ca2Zr5Ti2O16 magnetite deposit, Russia","Crystallography Reports","1995","40","","746","748","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015981","15.2203","","15.2203","","10.1224","","90","","90","","90","","2344.93","","","","","","","","","","","","Synthetic","4","I 41/a c d :2","-I 4bd 2c","142","","","Calzirtite","- Ca O8 Ti Zr2.5 -","- Ca O8 Ti Zr2.5 -","- Ca16 O128 Ti16 Zr40 -","16","0.5","","Rossell, H. J.","Calzirtite - A fluorite-related superstructure","Acta Crystallographica, Section B","1982","38","","593","595","10.1107/S0567740882003446","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9017158","18.261","","18.261","","11.562","","90","","90","","90","","3855.51","","","","","","","","","","","","La Fossa Crater, Vulcano, Aeolian Islands, Italy","9","I 41/a c d :2","-I 4bd 2c","142","","","Adranosite-(Fe)","- Al0.18 Cl Fe1.82 H17.568 K0.108 N3.892 Na O18 S4 -","- Al0.18 Cl Fe1.82 H17.568 K0.108 N3.892 Na O18 S4 -","- Al1.44 Cl8 Fe14.56 H140.544 K0.864 N31.136 Na8 O144 S32 -","8","0.25","","Mitolo, D.; Demartin, F.; Garavelli, A.; Campostrini, I.; Pinto, D.; Gramaccioli, C. M.; Acquafredda, P.; Kolitsch, U.","Adranosite-(Fe), (NH4)4NaFe2(SO4)4Cl(OH)2, a new ammonium sulfate chloride from La Fossa Crater, Vulcano, Aeolian Islands, Italy","The Canadian Mineralogist","2013","51","","57","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017464","9.97511","","9.97511","","22.2887","","90","","90","","90","","2217.79","","","","","","","","","","","","Synthetic","4","I 41/a c d :2","-I 4bd 2c","142","","","Colinowensite","- Ba Cu O6 Si2 -","- Ba Cu O6 Si2 -","- Ba16 Cu16 O96 Si32 -","16","0.5","","Chen, Y.; Zhang, Y.; Feng, S.","Hydrothermal synthesis and properties of pigments Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7","Dyes and Pigments","2014","105","","167","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017702","9.4668","","9.4668","","18.8701","","90","","90","","90","","1691.14","","","","","","","","","","","","Langban deposit, Langban, Sweden","10","I 41/a c d :2","-I 4bd 2c","142","","","Gatedalite","- Al0.01 Ca0.02 Ce0.01 Fe0.58 Mg0.48 Mn5.4 O12 Si Zn0.01 Zr0.49 -","- Al0.01 Ca0.02 Ce0.01 Fe0.58 Mg0.48 Mn5.4 O12 Si Zn0.01 Zr0.49 -","- Al0.08 Ca0.16 Ce0.08 Fe4.64 Mg3.84 Mn43.2 O96 Si8 Zn0.08 Zr3.92 -","8","0.25","","Halenius, U.; Bosi, F.","Gatedalite, Zr(Mn2+2Mn3+4)SiO12, a new mineral species of the braunite group from Langban, Sweden","Mineralogical Magazine","2015","79","","625","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""