# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T07:06:17+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'C c c 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
"1100046","15.473","0.001","8.294","0.0008","5.8392","0.0006","90","","90","","90","","749.3","","","","","","","","","","","","","4","C c c 2","C 2 -2c","37","","Calcium Gallium Boron Oxide (1/1/1/4)","","- B Ca Ga O4 -","- B Ca Ga O4 -","- B8 Ca8 Ga8 O32 -","8","1","","Yang, Z.; Liang, J. K.; Chen, X. L.; Xu, T.; Xu, Y. P.","Synthesis and crystal structure of a new compound CaGaBO~4~","Journal of Alloys and Compounds","2001","327","1-2","215","219","10.1016/S0925-8388(01)01416-5","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506130","15.134","0.01","25.283","0.016","11.758","0.007","90","","90","","90","","4499","5","293","2","293","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C192 H248 N8 O24 -","8","1","","Hogan, Anne-Marie L; O'Shea, Donal F","Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold.","Organic letters","2006","8","17","3769","3772","10.1021/ol061348n","","","0.71073","MoKα","","0.1042","0.0636","","","0.1211","0.1382","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509508","34.691","","20.018","","11.576","","90","","90","","90","","8038.89","","","","","","","","","","","","","4","C c c 2","C 2 -2c","37","","Ag Ti2 (P S4)3","","- Ag P3 S12 Ti2 -","- Ag P3 S12 Ti2 -","- Ag16 P48 S192 Ti32 -","16","2","","Quarton, M.; Angenault, J.; Wallez, G.; Cieren, X.","Two new thiophosphates with interlocked structures: Ag Ti2 (P S4)3 and Ag2 Nb Ti3 P6 S25","Journal of Solid State Chemistry","2000","153","","55","65","10.1006/jssc.2000.8739","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517617","7.405","0.002","51.214","0.016","11.984","0.004","90","","90","","90","","4545","2","296","2","296","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C28 H18 Ag3 N O3 -","- C28 H18 Ag3 N O3 -","- C224 H144 Ag24 N8 O24 -","8","1","","Ping-Shing Cheng; Sam C.K. Hau; Thomas C.W. Mak","Layer-type organosilver(I) complexes assembled with nitrate and functionalized phenylethynide ligands","Inorganica Chimica Acta","2013","403","","110","119","","","","0.71073","MoKα","","0.0776","0.0547","","","0.1351","0.1522","","","","","","1.085","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517928","18.853","0.004","35.929","0.008","7.0005","0.0015","90","","90","","90","","4741.9","1.8","153","2","153","2","","","","","","","","4","C c c 2","C 2 -2c","37","4,4'-Dihexyloxy-3-methylazobenzene","","","- C25 H36 N2 O2 -","- C25 H36 N2 O2 -","- C200 H288 N16 O16 -","8","1","","Norikane, Yasuo; Uchida, Emi; Tanaka, Satoko; Fujiwara, Kyoko; Koyama, Emiko; Azumi, Reiko; Akiyama, Haruhisa; Kihara, Hideyuki; Yoshida, Masaru","Photoinduced Crystal-to-Liquid Phase Transitions of Azobenzene Derivatives and Their Application in Photolithography Processes through a Solid-Liquid Patterning.","Organic letters","2014","16","19","5012","5015","10.1021/ol502223u","","","0.71073","MoKα","","0.1315","0.0565","","","0.1354","0.1729","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1534621","12.942","","11.387","","27.46","","90","","90","","90","","4046.79","","","","","","","","","","","","","5","C c c 2","C 2 -2c","37","","Ca8.2 Sr5.8 Cu23.62 Bi0.38 O41","","- Bi0.38 Ca8.2 Cu23.62 O41 Sr5.8 -","- Bi0.378 Ca8.2 Cu23.622 O41 Sr5.8 -","- Bi1.512 Ca32.8 Cu94.488 O164 Sr23.2 -","4","0.5","","Arakcheeva, A.V.; Shamrai, V.F.","Average model of incommensurate crystal structure (Ca7Sr7)(Cu23.62Bi0.38)O41","Kristallografiya","1993","38","","40","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","161495","2020-10-21","18:00:00",""
"1539083","8.269","","15.227","","5.733","","90","","90","","90","","721.854","","","","","","","","","","","","","4","C c c 2","C 2 -2c","37","","Ca Al B O4","","- Al B Ca O4 -","- Al B Ca O4 -","- Al8 B8 Ca8 O32 -","8","1","","Schuckmann, W.","Zur Struktur des Calcium-Aluminium-Borates, Ca Al (O B O3)","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1968","1968","","80","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1556106","19.3494","0.0011","20.3274","0.0011","22.3761","0.0013","90","","90","","90","","8801","0.9","150","0.2","150","0.2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C28 H16 F6 O2 -","- C28 H16 F6 O2 -","- C448 H256 F96 O32 -","16","2","","Brizius, Glen; Billingsley, Kelvin; Smith, Mark D.; Bunz, Uwe H. F.","Conformational and electronic engineering of twisted diphenylacetylenes.","Organic letters","2003","5","21","3951","3954","10.1021/ol035532+","","","0.71073","MoKα","","0.0529","0.0437","","","0.0996","0.1048","","","","","","1.036","","","","has coordinates,has disorder","243469","2020-10-21","18:00:00",""
"1556146","14.754","0.003","22.06","0.004","5.146","0.001","90","","90","","90","","1674.9","0.6","213","2","213","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C17 H26 N4 O3 -","- C17 H26 N4 O3 -","- C68 H104 N16 O12 -","4","0.5","","Rigol, Stephan; Beyer, Lothar; Hennig, Lothar; Sieler, Joachim; Giannis, Athanassios","Hünlich base: (re)discovery, synthesis, and structure elucidation after a century.","Organic letters","2013","15","6","1418","1420","10.1021/ol400357t","","","0.71073","MoKα","","0.0829","0.0483","","","0.0981","0.1061","","","","","","0.831","","","","has coordinates","243503","2020-10-21","18:00:00",""
"1567971","20.8648","0.0013","27.1717","0.0013","11.4881","0.0006","90","","90","","90","","6513","0.6","104","","104","","","","","","","","","5","C c c 2","C 2 -2c","37","[VO(TrPP)]2","((m2-5,5',10,10',15,15'-triphenyl-20,20'-bisporphyrinato)-di-oxovanadium(iv))","","- C19 H11.5 N2 O0.5 V0.5 -","- C19 H11.5 N2 O0.5 V0.5 -","- C304 H184 N32 O8 V8 -","16","2","","Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta","An exchange coupled <i>meso</i>-<i>meso</i> linked vanadyl porphyrin dimer for quantum information processing.","Chemical science","2022","14","1","61","69","10.1039/d2sc04969d","","","1.54178","CuKα","","0.0741","0.0733","","","0.218","0.2188","","","","","","1.049","","","","has coordinates","281341","2023-03-04","17:46:57",""
"1570734","8.4111","0.0009","34.575","0.004","8.3164","0.0008","90","","90","","90","","2418.5","0.4","150","2","150","2","","","","","","","","5","C c c 2","C 2 -2c","37","","catena-[bis((4-iodophenyl)methylammonium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C14 H18 Ge I6 N2 -","- C14 H18 Ge I6 N2 -","- C56 H72 Ge4 I24 N8 -","4","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0533","0.0459","","","0.0949","0.0972","","","","","","1.283","","","","has coordinates","288969","2024-01-09","19:18:36",""
"2003027","5.807","0.002","14.582","0.007","4.773","0.003","90","","90","","90","","404.2","0.3","293","","293","","","","","","","","","3","C c c 2","C 2 -2c","37","","Lithium Disilicate","","- Li2 O5 Si2 -","- Li2 O5 Si2 -","- Li8 O20 Si8 -","4","0.5","NA0083","de Jong, B. H. W. S.; Supèr, H. T. J.; Spek, A. L.; Veldman, N.; Nachtegaal, G.; Fischer, J. C.","Mixed Alkali Systems: Structure and ^29^Si MASNMR of Li~2~Si~2~O~5~ and K~2~Si~2~O~5~","Acta Crystallographica Section B","1998","54","5","568","577","10.1107/S0108768198001062","","","0.71073","MoKα","","0.0464","0.045","","","","0.1138","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003268","24.667","0.004","10.573","0.003","15.736","0.004","90","","90","","90","","4104","1.7","293","2","293","2","","","","","","","synthesis","6","C c c 2","C 2 -2c","37","","bis(thiourea)bis(benzoato)zinc(II)","","- C16 H18 N4 O4 S2 Zn -","- C16 H18 N4 O4 S2 Zn -","- C128 H144 N32 O32 S16 Zn8 -","8","1","KA1071","Černák, J.; Adzimová, I.; Gérard, F.; Hardy, A.-M.","Bis(benzoato-<i>O</i>)bis(thiourea-<i>S</i>)zinc(II)","Acta Crystallographica Section C","1995","51","3","392","395","10.1107/S0108270194004075","","","0.7093","MoKα","","0.0517","0.0286","","0.0728","0.0664","","","","0.955","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008313","13.855","0.004","21.573","0.006","13.163","0.004","90","","90","","90","","3934","2","295","2","295","2","","","","","","","","6","C c c 2","C 2 -2c","37","","μ-Oxo-bis-[bis-(2,2'-bi(1H-imidazole-N^3^))-oxo-rhenium(V)]tetrachloride hexahydrate, [{ReO(C~6~H~4~N~2~)~2~}~2~O]Cl~4~^.^6H~2~O.","","- C24 H36 Cl4 N16 O9 Re2 -","- C24 H24 Cl4 N16 O9 Re2 -","- C96 H96 Cl16 N64 O36 Re8 -","4","0.5","BK1428","Bélanger, Suzanne; Beauchamp, André L.","μ-Oxo-bis{bis[2,2'-bi(1<i>H</i>-imidazole-<i>N</i>^3^)]oxorhenium(V)} tetrachloride hexahydrate","Acta Crystallographica Section C","1999","55","4","517","521","10.1107/S010827019801511X","","","1.54056","CuKα","","0.051","0.03","","0.086","0.075","","","","0.6","0.68","0.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010682","7.3969","0.0004","26.703","0.0009","6.0594","0.0003","90","","90","","90","","1196.85","0.1","293","","295","3","","","","","","","","4","C c c 2","C 2 -2c","37","","4,4'-dibromobenzophenone","","- C13 H8 Br2 O -","- C13 H8 Br2 O -","- C52 H32 Br8 O4 -","4","0.5","SK1339","Perić, Berislav; Kojić-Prodić, Biserka","4,4'-Dibromobenzophenone at 293 and 103K","Acta Crystallographica Section C","2000","56","2","211","212","10.1107/S0108270199013839","","","1.54184","CuKα","","0.0342","0.0223","","","","0.0658","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010683","7.2242","0.0002","26.5957","0.0009","6.0118","0.0002","90","","90","","90","","1155.06","0.06","103","3","103","3","","","","","","","","4","C c c 2","C 2 -2c","37","","4,4'-dibromobenzophenone","","- C13 H8 Br2 O -","- C13 H8 Br2 O -","- C52 H32 Br8 O4 -","4","0.5","SK1339","Perić, Berislav; Kojić-Prodić, Biserka","4,4'-Dibromobenzophenone at 293 and 103K","Acta Crystallographica Section C","2000","56","2","211","212","10.1107/S0108270199013839","","","1.54184","CuKα","","0.0204","0.0191","","","","0.0533","","","","","","1.157","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2101437","5.4112","0.0007","30.873","0.007","5.416","0.002","90","","90","","90","","904.8","0.4","","","","","","","","","","","","5","C c c 2","C 2 -c","","","","","- Bi2 Ca Cu2 O8 Sr2 -","- Bi4 Ca Cu2 O8 Sr2 -","- Bi16 Ca4 Cu8 O32 Sr8 -","4","0.5","DU0400","Gladyshevskii, R. E.; Flükiger, R.","Modulated structure of Bi~2~Sr~2~CaCu~2~O~8+{δ~}, a high-<i>T</i>~c~ superconductor with monoclinic symmetry","Acta Crystallographica Section B","1996","52","1","38","53","10.1107/S0108768195007075","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102645","26.645","0.006","7.6902","0.0014","5.7223","0.0008","90","","90","","90","","1172.5","0.4","293","2","293","2","","","","","","","","4","C c c 2","C 2 -2c","37","","Bis(4-bromophenyl) ether","","- C12 H8 Br2 O -","- C12 H8 Br2 O -","- C48 H32 Br8 O4 -","4","0.5","BM5012","Eriksson, Lars; Eriksson, Johan; Hu, Jiwei","Di-<i>p</i>-bromophenyl ether, a redetermined crystal structure derived from low-quality diffraction data","Acta Crystallographica Section B","2004","60","6","734","738","10.1107/S0108768104023225","","","0.71073","MoKα","","0.1488","0.0629","","","0.1172","0.1482","","","","","","1.005","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106685","5.4112","","30.873","","5.4161","","90","","90","","90","","904.814","","","","","","","","","","","","","5","C c c 2","C 2 -2c","37","","(Bi2.1 Ca0.9) (Sr1.78 Ca0.22) Cu2 O8","","- Bi2.1 Ca1.12 Cu2 O8 Sr1.78 -","- Bi2.1 Ca1.12 Cu2 O8 Sr1.78 -","- Bi8.4 Ca4.48 Cu8 O32 Sr7.12 -","4","0.5","","Gladyshevskii, R.E.; Fluekiger, R.","Modulated structure of Bi2 Sr2 ca Cu2 O8+d, a high-Tc superconductor with monoclinc symmetry","Acta Crystallographica B (39,1983-)","1996","52","","38","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","154940","2020-10-21","18:00:00",""
"2215977","13.02","0.004","26.448","0.007","4.978","0.002","90","","90","","90","","1714.2","1","294","","","","","","","","","","","4","C c c 2","C 2 -2c","37","","1,1'-Methylenebis(naphthalen-2-amine) methanol solvate","","- C22 H22 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","0.5","HG2306","Mahon, Andrew B.; Craig, Donald C.; Try, Andrew C.","1,1'-Methylenebis(naphthalen-2-amine) methanol solvate","Acta Crystallographica Section E","2007","63","11","o4341","o4341","10.1107/S1600536807050131","","","0.71073","MoKα","","","0.049","","","","0.065","","","","","","1.34","","","","has coordinates,has Fobs","202213","2020-10-21","18:00:00",""
"2218908","16.905","0.005","18.139","0.005","8.145","0.002","90","","90","","90","","2497.6","1.2","296","2","296","2","","","","","","","","4","C c c 2","C 2 -2c","37","","4-<i>n</i>-Butyl-3-(3-methylphenyl)-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C104 H136 N24 O8 -","8","1","BT2734","Akhtar, Tashfeen; Hameed, Shahid; Zia-ur-Rehman, Muhammad; Hussain Bukhari, Tanveer; Khan, Islamullah","4-<i>n</i>-Butyl-3-(3-methylphenyl)-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2008","64","8","o1388","","10.1107/S1600536808019661","","","0.71073","MoKα","","0.0953","0.0462","","","0.0883","0.1057","","","","","","1.068","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2221388","15.3832","0.0007","19.7959","0.0008","9.9612","0.0003","90","","90","","90","","3033.4","0.2","296","","296","","","","","","","","","4","C c c 2","C 2 -2c","37","","Dimethyl <i>cis</i>-2-methyl-3-<i>p</i>-tolylisoxazolidine-4,5-dicarboxylate","","- C15 H19 N O5 -","- C15 H19 N O5 -","- C120 H152 N8 O40 -","8","1","HK2635","Odabaşoğlu, Mustafa; Özkan, Hamdi; Yıldırır, Yılmaz; Büyükgüngör, Orhan","Dimethyl <i>cis</i>-2-methyl-3-<i>p</i>-tolylisoxazolidine-4,5-dicarboxylate","Acta Crystallographica Section E","2009","65","4","o806","o807","10.1107/S1600536809009350","","","0.71073","MoKα","","0.0294","0.0268","","","0.0726","0.0739","","","","","","1.067","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"3500136","7.4381","0.0008","28.138","0.003","6.0551","0.0006","90","","90","","90","","1267.3","0.2","295","","295","","","","","","","","","4","C c c 2","C 2 -2c","37","4,4'-Diiodobenzophenone","","","- C13 H8 I2 O -","- C13 H8 I2 O -","- C52 H32 I8 O4 -","4","0.5","","Maris, Thierry; Arseneault, Mathieu; Wuest, James D.","4,4'-Diiodobenzophenone","Personal communication to COD","2023","","","","","","","","1.54178","CuKα","","0.0365","0.0362","","","0.1013","0.1019","","","","","","1.056","","","","has coordinates,has Fobs","282024","2023-03-23","15:37:23",""
"4036059","16.55068","0.0001","26.78093","0.00017","7.26499","0.00005","90","","90","","90","","3220.15","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C18 H19 N5 O -","- C18 H19 N5 O -","- C144 H152 N40 O8 -","8","1","","Guo, Wei; Zhao, Mingming; Chengtang, Du; Zheng, Lvyin; Li, Luo; Chen, Liping; Tao, Kailiang; Tan, Wen; Xie, Zhen; Cai, Liuhuan; Fan, XiaoLin; Zhang, Kai","Visible-light-Catalyzed [3 + 1 + 2] Coupling Annulations for the Synthesis of Unsymmetrical Tri-substituted Amino-1,3,5-triazines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02514","","x-ray","1.54184","CuKα","","0.0384","0.0382","","","0.0922","0.0927","","","","","","1.073","","","","has coordinates","227844","2020-10-21","18:00:00",""
"4063433","17.8534","0.0014","21.9402","0.0017","24.7375","0.0018","90","","90","","90","","9689.9","1.3","296","2","296","2","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C45.5 H61 Al Cl3 N6 O3.5 -","- C45.5 H61 Al Cl3 N6 O3.5 -","- C364 H488 Al8 Cl24 N48 O28 -","8","1","","Lee, Junseong; Kim, So Han; Lee, Kang Mun; Hwang, Kyu Young; Kim, Hyoseok; Huh, Jung Oh; Kim, Da Jung; Lee, Yoon Sup; Do, Youngkyu; Kim, Youngjo","Synthesis, Structures, Photoluminescent Behaviors, and DFT Studies of Novel Aluminum Complexes Containing Phenoxybenzotriazole Derivatives","Organometallics","2010","29","2","347","","10.1021/om9007423","","","0.71073","MoKα","","0.1456","0.0792","","","0.1893","0.2288","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081814","21.767","0.003","22.62","0.003","14.125","0.002","90","","90","","90","","6954.7","1.7","173","2","173","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C43 H39 B2 S2 -","- C43 H39 B2 S2 -","- C344 H312 B16 S16 -","8","1","","Hübner, Alexander; Diehl, Andreas M.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","High-Temperature Reactivity of the Strongly Electrophilic Pristine 9H-9-Borafluorene","Organometallics","2013","32","22","6827","","10.1021/om4005737","","","0.7107","MoKα","","0.1537","0.0875","","","0.133","0.1563","","","","","","0.963","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4100336","28.1891","0.0011","28.1878","0.0013","12.0345","0.0005","90","","90","","90","","9562.5","0.7","293.1","","","","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C24 H35 Cl N2 Pd -","- C24 H35 Cl N2 Pd -","- C384 H560 Cl16 N32 Pd16 -","16","2","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4109705","31.237","0.009","50.033","0.014","9.128","0.003","90","","90","","90","","14266","7","293","2","293","2","","","","","","","","7","C c c 2","C 2 -2c","37","","","","- C11 H19 F6 I N O P -","- C11.635 H16 F6 I N0.5 O P -","- C372.32 H512 F192 I32 N16 O32 P32 -","32","4","","Alex S. Ionkin; William J. Marshall; Brian M. Fish; Matthew F. Schiffhauer; Fredric Davidson","A Stabilized β-Oxaphosphoniumbetaine: An Elusive Zwitterion","Journal of the American Chemical Society","2007","129","","9210","9215","10.1021/ja071644a","","","0.71073","MoKα","","0.0685","0.0418","","","0.1191","0.1395","","","","","","1.001","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4129353","27.6821","0.0006","27.6929","0.0007","34.0662","0.0008","90","","90","","90","","26115.1","1.1","100","2","100","2","","","","","","","","8","C c c 2","C 2 -2c","37","","","","- C62 H62 B Cl F25 N Si2 Ti -","- C62 H62 B Cl F25 N Si2 Ti -","- C992 H992 B16 Cl16 F400 N16 Si32 Ti16 -","16","2","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","1.54184","CuKα","","0.0994","0.0991","","","0.3063","0.3078","","","","","","1.598","","","","has coordinates,has disorder","240086","2020-10-21","18:00:00",""
"4131056","46.195","0.001","48.069","0.001","25.6424","0.0008","90","","90","","90","","56940","2","100","0.1","100","0.1","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C472 H466 Ag67 B3 P8 S32 -","- C448 H446 Ag67 B2 P8 S32 -","- C1792 H1784 Ag268 B8 P32 S128 -","4","0.5","","Alhilaly, Mohammad J.; Bootharaju, Megalamane S.; Joshi, Chakra P.; Besong, Tabot M.; Emwas, Abdul-Hamid; Juarez-Mosqueda, Rosalba; Kaappa, Sami; Malola, Sami; Adil, Karim; Shkurenko, Aleksander; Häkkinen, Hannu; Eddaoudi, Mohamed; Bakr, Osman M.","[Ag<sub>67</sub>(SPhMe<sub>2</sub>)<sub>32</sub>(PPh<sub>3</sub>)<sub>8</sub>]<sup>3+</sup>: Synthesis, Total Structure, and Optical Properties of a Large Box-Shaped Silver Nanocluster.","Journal of the American Chemical Society","2016","138","44","14727","14732","10.1021/jacs.6b09007","","","1.54178","CuKα","","0.0608","0.0544","","","0.1443","0.1518","","","","","","1.066","","","","has coordinates","241364","2020-10-21","18:00:00",""
"4131761","43.0185","0.001","48.2191","0.0013","30.0392","0.0007","90","","90","","90","","62311","3","173.01","0.1","173.01","0.1","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C456 H320 Ag78 F126 P12 S42 -","- C456 H320 Ag78 F126 P12 S42 -","- C1824 H1280 Ag312 F504 P48 S168 -","4","0.5","","Yang, Huayan; Yan, Juanzhu; Wang, Yu; Deng, Guocheng; Su, Haifeng; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Zheng, Nanfeng","From Racemic Metal Nanoparticles to Optically Pure Enantiomers in One Pot.","Journal of the American Chemical Society","2017","139","45","16113","16116","10.1021/jacs.7b10448","","","1.54184","CuKα","","0.0943","0.0716","","","0.1949","0.2112","","","","","","1.058","","","","has coordinates","241929","2020-10-21","18:00:00",""
"4310107","17.6391","0.0015","39.53","0.004","11.7333","0.0011","90","","90","","90","","8181.3","1.3","293","2","293","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C33 H28 N16 Ni2 O7 -","- C33 H28 N16 Ni2 O7 -","- C264 H224 N128 Ni16 O56 -","8","1","","Bing-Bing Ding; Yan-Qin Weng; Zong-Wan Mao; Chi-Keung Lam; Xiao-Ming Chen; Bao-Hui Ye","Pillared-Layer Microporous Metal-Organic Frameworks Constructed by Robust Hydrogen Bonds. Synthesis, Characterization, and Magnetic and Adsorption Properties of 2,2'-Biimidazole and Carboxylate Complexes","Inorganic Chemistry","2005","44","","8836","8845","10.1021/ic051195k","","","0.71073","MoKα","","0.0827","0.0602","","","0.1322","0.1442","","","","","","0.98","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310108","18.1339","0.0015","39.318","0.003","11.6914","0.001","90","","90","","90","","8335.8","1.2","293","2","293","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C33 H28 Co2 N16 O7 -","- C33 H28 Co2 N16 O7 -","- C264 H224 Co16 N128 O56 -","8","1","","Bing-Bing Ding; Yan-Qin Weng; Zong-Wan Mao; Chi-Keung Lam; Xiao-Ming Chen; Bao-Hui Ye","Pillared-Layer Microporous Metal-Organic Frameworks Constructed by Robust Hydrogen Bonds. Synthesis, Characterization, and Magnetic and Adsorption Properties of 2,2'-Biimidazole and Carboxylate Complexes","Inorganic Chemistry","2005","44","","8836","8845","10.1021/ic051195k","","","0.71073","MoKα","","0.0593","0.0503","","","0.147","0.1559","","","","","","1.073","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310871","16.7406","0.0011","19.2196","0.0012","7.8675","0.0005","90","","90","","90","","2531.3","0.3","296","2","296","2","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C16 H10 Mn2 Ni2 O6 S7 -","- C16 H10 Mn2 Ni2 O6 S7 -","- C64 H40 Mn8 Ni8 O24 S28 -","4","0.5","","Richard D. Adams; Shaobin Miao; Mark D. Smith; Horatio Farach; Charles Edwin Webster; Josiah Manson; Michael B. Hall","Nickel-Manganese Sulfido Carbonyl Cluster Complexes. Synthesis, Structure, and Properties of the Unusual Paramagnetic Complexes Cp2Ni2Mn(CO)3(μ3-E)2, E = S, Se","Inorganic Chemistry","2004","43","","2515","2525","10.1021/ic0354419","","","0.71073","MoKα","","0.0362","0.0316","","","0.0638","0.0657","","","","","","1.04","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4325724","11.079","0.006","34.385","0.018","35.122","0.018","90","","90","","90","","13380","12","100","2","100","2","","","","","","","","7","C c c 2","C 2 -2c","37","","","","- C59 H66 B3 F12 N11 Ni2 O12 -","- C59 H66 B3 F12 N11 Ni2 O12 -","- C472 H528 B24 F96 N88 Ni16 O96 -","8","1","","Mihail Atanasov; Peter Comba; Graeme R. Hanson; Sascha Hausberg; Stefan Helmle; Hubert Wadepohl","Cyano-bridged Homodinuclear Copper(II) Complexes","Inorganic Chemistry","2011","50","","6890","6901","10.1021/ic102430a","","x-ray","0.71073","MoKα","","0.0723","0.0458","","","0.1105","0.1239","","","","","","1.058","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4330116","12.0329","0.0006","18.9371","0.001","5.8595","0.0003","90","","90","","90","","1335.19","0.12","296","2","296","2","","","","","","","","3","C c c 2","C 2 -2c","37","","","","- O7.5 S Sb3 -","- O7.5 S Sb3 -","- O60 S8 Sb24 -","8","1","","Honghan Fei; Cari S. Han; Scott R. J. Oliver","A Cationic Antimonite Chain Templated by Sulfate: [Sb6O74+][(SO42-)2]","Inorganic Chemistry","2012","51","","8655","8657","10.1021/ic3013409","","","0.71073","MoKα","","0.0116","0.0115","","","0.0278","0.0278","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332866","14.4181","0.0013","26.731","0.003","12.6362","0.0012","90","","90","","90","","4870.1","0.8","193","2","193","2","","","","","","","","7","C c c 2","C 2 -2c","37","","","","- C34 H30 Cu4 I2 N8 S7 W -","- C34 H30 Cu4 I2 N8 S7 W -","- C136 H120 Cu16 I8 N32 S28 W4 -","4","0.5","","Lang, Jian-Ping; Xu, Qing-Feng; Zhang, Wen-Hua; Li, Hong-Xi; Ren, Zhi-Gang; Chen, Jin-Xiang; Zhang, Yong","Mo(W)/Cu/S Cluster-Based Supramolecular Arrays Assembled from Preformed Clusters [Et4N]4[WS4Cu4I6] and [(n-Bu)4N]2[MoOS3Cu3X3] (X = I, SCN) with Flexible Ditopic Ligands","Inorganic Chemistry","2006","45","26","10487","10496","10.1021/ic060974d","","","0.7107","MoKα","","0.0633","0.0529","","","0.1311","0.1382","","","","","","1.117","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4343605","18.066","0.005","20.762","0.005","15.24","0.004","90","","90","","90","","5716","3","100","2","100","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C32 H26 Cd N12 O8 -","- C32 H26 Cd N12 O8 -","- C128 H104 Cd4 N48 O32 -","4","0.5","","Seth, Saona; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Carbon Dioxide Capture by a Metal-Organic Framework with Nitrogen-Rich Channels Based on Rationally Designed Triazole-Functionalized Tetraacid Organic Linker.","Inorganic chemistry","2015","54","14","6829","6835","10.1021/acs.inorgchem.5b00722","","","0.71073","MoKα","","0.0906","0.057","","","0.1222","0.1378","","","","","","0.897","","","","has coordinates","152829","2020-10-21","18:00:00",""
"4504159","7.566","0.005","11.929","0.007","9.769","0.006","90","","90","","90","","881.7","0.9","298","2","298","2","","","","","","","","4","C c c 2","C 2 -2c","37","4-Carboxyphenylboronic acid hydrate","","","- C7 H9 B O5 -","- C7 H9 B O5 -","- C28 H36 B4 O20 -","4","0.5","","SeethaLekshmi, Nanappan; Pedireddi, Venkateswara Rao","Solid-State Structures of 4-Carboxyphenylboronic Acid and Its Hydrates","Crystal Growth & Design","2007","7","5","944","","10.1021/cg060860c","","","0.71073","MoKα","","0.0794","0.0713","","","0.1587","0.1627","","","","","","1.433","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4506885","13.946","0.008","20.218","0.007","10.911","0.003","90","","90","","90","","3076","2","293","2","293","2","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C22 H20 Co N6 O2 S6 -","- C22 H20 Co N6 O2 S6 -","- C88 H80 Co4 N24 O8 S24 -","4","0.5","","Pinta, Noelia De la; Fidalgo, Luz; Madariaga, Gotzon; Lezama, Luis; Cortés, Roberto","Guest Driven Structural Correlations in DPDS [Di(4-pyridyl)disulfide]-Based Coordination Polymers","Crystal Growth & Design","2012","12","10","5069","","10.1021/cg3010135","","","0.71073","MoKα","","0.0788","0.0312","","","","0.0743","","","","","","0.836","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4513382","9.912","0.002","12.884","0.003","14.024","0.003","90","","90","","90","","1791","0.7","298","2","298","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C28 H26 N12 O11 Zn4 -","- C28 H26 N12 O11 Zn4 -","- C56 H52 N24 O22 Zn8 -","2","0.25","","Liu, Dong-Sheng; Sui, Yan; Chen, Wen-Tong; Feng, Pingyun","Two New Nonlinear Optical and Ferroelectric Zn(II) Compounds Based on Nicotinic Acid and Tetrazole Derivative Ligands","Crystal Growth & Design","2015","15","8","4020","","10.1021/acs.cgd.5b00637","","","0.71073","MoKα","","0.0278","0.0275","","","0.0754","0.0758","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4518724","7.7242","0.0008","28.033","0.004","5.9565","0.0005","90","","90","","90","","1289.8","0.3","293","","293","","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C12 H8 Br2 S2 -","- C12 H8 Br2 S2 -","- C48 H32 Br8 S8 -","4","0.5","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","0.71","MoKα","","0.093","0.0535","","","0.0993","0.1186","","","","","","0.983","","","","has coordinates","265752","2021-06-04","00:58:59",""
"7023295","15.528","0.004","17.993","0.005","6.5946","0.0016","90","","90","","90","","1842.5","0.8","296","2","296","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C16 H20 Mn N2 O6 -","- C16 H20 Mn N2 O6 -","- C64 H80 Mn4 N8 O24 -","4","0.5","","Cao, Yanyuan; Chen, Yanmei; Li, Lei; Gao, Dandan; Liu, Wei; Hu, Hailiang; Li, Wu; Li, Yahong","A Co16 cluster and a 1-D Mn chain complex supported by benzohydroxamic acid.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10912","10918","10.1039/c3dt51140e","","","0.71073","MoKα","","0.0537","0.0409","","","0.1053","0.1155","","","","","","1.038","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7025990","21.943","0.003","24.179","0.004","7.5298","0.0011","90","","90","","90","","3995","1","291","2","291","2","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C32 H34 Cl4 N8 Ni O8 -","- C32 H34 Cl4 N8 Ni O8 -","- C128 H136 Cl16 N32 Ni4 O32 -","4","0.5","","You, Wei; Zhu, Hao-Yu; Huang, Wei; Hu, Bin; Fan, Ying; You, Xiao-Zeng","The first observation of azo-hydrazone and cis-trans tautomerisms for disperse yellow dyes and their nickel(II) and copper(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","34","7876","7880","10.1039/c0dt00101e","","","0.71073","MoKα","","0.0978","0.0923","","","0.1902","0.1931","","","","","","1.08","","","","has coordinates","179965","2020-10-21","18:00:00",""
"7035673","14.684","0.004","22.575","0.007","14.269","0.004","90","","90","","90","","4730","2","100","","100","","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C H5 B11 F10 N O0.5 -","- C H5 B11 F10 N O0.5 -","- C16 H80 B176 F160 N16 O8 -","16","2","","Konieczka, Szymon Z.; Drisch, Michael; Edkins, Katharina; Hailmann, Michael; Finze, Maik","Polyfluorinated carba-closo-dodecaboranes with amino and ammonio substituents bonded to boron.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19576","19586","10.1039/c5dt02055g","","x-ray","0.71073","MoKα","K-L~3~","0.0454","0.0362","","","","0.0957","","","","","","1.0613","","","","has coordinates","171165","2020-10-21","18:00:00",""
"7059306","10.3322","0.0004","21.0652","0.0009","16.0539","0.0006","90","","90","","90","","3494.1","0.2","299","2","299.6","","","","","","","","","5","C c c 2","C 2 -2c","37","","Mn CRYSTAL","","- C32 H34 Mn2 N12 O8.5 -","- C32 H34 Mn2 N12 O8.5 -","- C128 H136 Mn8 N48 O34 -","4","0.5","","Adak, Piyali; Mondal, Antu; Chattopadhyay, Shyamal Kumar","Manganese(ii) complex of an oxygen‒nitrogen donor Schiff base ligand showing efficient catechol oxidase activity: synthesis, spectroscopic and kinetic study","New Journal of Chemistry","2020","44","9","3748","3754","10.1039/C9NJ04591K","","","0.71073","MoKα","","0.0479","0.0392","","","0.0969","0.1046","","","","","","1.094","","","","has coordinates","257820","2020-10-21","18:00:00",""
"7102204","37.576","0.005","44.413","0.006","35.8","0.005","90","","90","","90","","59747","14","80","2","80","2","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C178 H334.5 N37 O85.25 Ru6 S24 -","- C178 H216 N37 O85.25 Ru6 S24 -","- C1424 H1728 N296 O682 Ru48 S192 -","8","1","","Yamashita, Ken-Ichi; Kawano, Masaki; Fujita, Makoto","Ru(ii)-cornered coordination cage that senses guest inclusion by color change.","Chemical communications (Cambridge, England)","2007","","40","4102","4103","10.1039/b712529a","","","0.71073","MoKα","","0.147","0.0774","","","0.1919","0.244","","","","","","1.068","","","","has coordinates,has disorder","180124","2020-10-21","18:00:00",""
"7131538","13.3832","0.0002","18.7778","0.0003","10.86351","0.00014","90","","90","","90","","2730.08","0.07","173","0.1","173","0.1","","","","","","","","7","C c c 2","C 2 -2c","37","","","","- C18 H38 Co F3 Li N2 Si4 -","- C18 H38 Co F3 Li N2 Si4 -","- C72 H152 Co4 F12 Li4 N8 Si16 -","4","0.5","","Logallo, Alessandra; Hevia, Eva","Applying Na/Co(II) bimetallic partnerships to promote multiple Co-H exchanges in polyfluoroarenes.","Chemical communications (Cambridge, England)","2023","59","36","5383","5386","10.1039/d3cc01216f","","x-ray","0.71073","MoKα","","0.0335","0.0272","","","0.0636","0.0655","","","","","","1.013","","","","has coordinates","283114","2023-05-05","00:32:24",""
"7154741","23.0565","0.0017","27.3947","0.0017","11.6346","0.0009","90","","90","","90","","7348.7","0.9","123","2","123","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C21 H27 N O -","- C21 H27 N O -","- C336 H432 N16 O16 -","16","2","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0776","0.0511","","","0.0847","0.0942","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7216892","21.361","0.006","29.226","0.006","8.776","0.003","90","","90","","90","","5479","3","298","","298","","","","","","","","","4","C c c 2","C 2 -2c","37","","3,3'-[(2,2',4,4',6,6'-hexaiodo-1,1'-biphenyl)-3,3' diylbis(oxy)]bis(1,2-propanediol)","","- C18 H16 I6 O6 -","- C18 H10 I6 O6 -","- C144 H80 I48 O48 -","8","1","","Anelli, Pier Lucio; Brocchetta, Marino; Maffezzoni, (the late) Costantino; Paoli, Paola; Rossi, Patrizia; Uggeri, Fulvio; Visigalli, Massimo","Syntheses and X-ray crystal structures of derivatives of 2,2′,4,4′,6,6′-hexaiodobiphenyl","Journal of the Chemical Society, Perkin Transactions 1","2001","","10","1175","","10.1039/b009666k","","","0.71069","MoKα","","0.0869","0.068","","","0.1952","0.2101","","","","","","1.062","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7234195","17.854","0.0001","17.8457","0.0001","7.89452","0.00002","90","","90","","90","","2515.33","0.02","5","","5","","","","","","","","","4","C c c 2","C 2 -2c","37","","KMnCrF6","","- Cr5 F30 K5.17 Mn5 -","- Cr5 F30 K5.167 Mn5 -","- Cr20 F120 K20.668 Mn20 -","4","0.5","","Christina Drathen; Takeshi Nakagawa; Wilson A. Crichton; Adrian H. Hill; Yasuo Ohishi; Serena Margadonnac","Structural transition in KMnCrF6 - a chemically ordered magnetic ferroelectric","Journal of Materials Chemistry C","2015","3","","4321","4332","10.1039/C4TC02038C","powder diffraction","","0.39992","Synchrotron","","","","","","","","7.32","","3.88","","","","","","","has coordinates","218873","2020-10-21","18:00:00",""
"7238136","12.203","0.004","21.137","0.004","10.774","0.004","90","","90","","90","","2779","1.5","293","2","293","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C30 H24 Mn N6 O4 -","- C30 H24 Mn N6 O4 -","- C120 H96 Mn4 N24 O16 -","4","0.5","","Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan","Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties","CrystEngComm","2005","7","118","722","","10.1039/b513269j","","","0.71073","MoKα","","0.0767","0.0403","","","0.0897","0.1089","","","","","","1.021","","","","has coordinates","244077","2020-10-21","18:00:00",""
"7700067","14.1818","0.0019","20.15","0.003","10.725","0.003","90","","90","","90","","3064.8","1.1","100.03","0.1","100.03","0.1","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C11 H11 B Fe0.5 N3 S2 -","- C11 H11 B Fe0.5 N3 S2 -","- C88 H88 B8 Fe4 N24 S16 -","8","1","","Sun, Xiao-Peng; Liu, Tao; Yao, Zi-Shuo; Tao, Jun","Spin crossover and photomagnetic behaviors in one-dimensional looped coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9243","9249","10.1039/c9dt01520e","","x-ray","0.71073","MoKα","","0.1116","0.0956","","","0.2609","0.2791","","","","","","1.052","","","","has coordinates","224210","2020-10-21","18:00:00",""
"7700068","14.419","0.003","20.404","0.005","10.936","0.003","90","","90","","90","","3217.4","1.4","293","0.1","293","0.1","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C11 H11 B Fe0.5 N3 S2 -","- C11 H11 B Fe0.5 N3 S2 -","- C88 H88 B8 Fe4 N24 S16 -","8","1","","Sun, Xiao-Peng; Liu, Tao; Yao, Zi-Shuo; Tao, Jun","Spin crossover and photomagnetic behaviors in one-dimensional looped coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9243","9249","10.1039/c9dt01520e","","x-ray","0.71073","MoKα","","0.0988","0.0657","","","0.1877","0.2113","","","","","","0.992","","","","has coordinates","224210","2020-10-21","18:00:00",""
"8000498","8.3262","0.0007","39.247","0.004","8.3629","0.0008","90","","90","","90","","2732.8","0.4","296.8","0.1","296.8","0.1","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C9 H30 Br7 N3 Pb2 -","- C9 H30 Br7 N3 Pb2 -","- C36 H120 Br28 N12 Pb8 -","4","0.5","","Liang, Mingli; Lin, Weihua; Zhao, Qian; Zou, Xianshao; Lan, Zhenyun; Meng, Jie; Shi, Qi; Castelli, Ivano E.; Canton, Sophie E.; Pullerits, Tönu; Zheng, Kaibo","Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals.","The journal of physical chemistry letters","2021","12","20","4965","4971","10.1021/acs.jpclett.1c01148","","","0.71073","MoKα","","0.1222","0.0773","","","0.1915","0.2213","","","","","","1.09","","","","has coordinates","265764","2021-06-04","01:04:17",""
"8000499","8.325","0.0006","42.717","0.004","8.325","0.0008","90","","90","","90","","2960.5","0.5","297.13","0.1","297.13","0.1","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C11 H37 Br7 N4 Pb2 -","- C11 H37 Br7 N4 Pb2 -","- C44 H148 Br28 N16 Pb8 -","4","0.5","","Liang, Mingli; Lin, Weihua; Zhao, Qian; Zou, Xianshao; Lan, Zhenyun; Meng, Jie; Shi, Qi; Castelli, Ivano E.; Canton, Sophie E.; Pullerits, Tönu; Zheng, Kaibo","Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals.","The journal of physical chemistry letters","2021","12","20","4965","4971","10.1021/acs.jpclett.1c01148","","","0.71073","MoKα","","0.1241","0.0633","","","0.1406","0.1707","","","","","","1.045","","","","has coordinates,has disorder","265764","2021-06-04","01:04:19",""
"8105067","9.7401","0.0014","34.509","0.005","21.97","0.003","90","","90","","90","","7384.6","1.8","298","2","298","2","","","","","","","","3","C c c 2","C 2 -2c","37","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C384 H288 O32 -","16","2","","Wu, Shuai; Peng, Ling; Zhou, Pan; Zeng, Zhigang","The crystal structure of 1,2-bis((4-methoxyphenyl)ethynyl)benzene, C24H18O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","229","231","10.1515/ncrs-2019-0593","","x-ray","0.71073","MoKα","","0.1066","0.0738","","","0.1417","0.1559","","","","","","1.126","","","","has coordinates","274681","2022-04-26","08:50:17",""
"9011165","12.073","","19.023","","5.876","","90","","90","","90","","1349.51","","","","","","","","","","","","","3","C c c 2","C 2 -2c","37","","","","- O15 S2 Sb6 -","- O15 S2 Sb6 -","- O60 S8 Sb24 -","4","0.5","","Bovin, J. O.","The crystal structure of the antimony(III) oxide sulphate Sb6O7(SO4)2","Acta Crystallographica, Section B","1976","32","","1771","1777","10.1107/S0567740876006377","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""