# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T09:03:44+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P n 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
"1000104","7.5318","0.0003","14.8674","0.0007","14.5732","0.0007","90","","90","","90","","1631.9","","","","","","","","","","","","","3","P n c 2","P 2 -2bc","30","","Tribarium aluminium fluoride - $-beta","","- Al Ba3 F9 -","- Al Ba3 F9 -","- Al8 Ba24 F72 -","8","2","","Le Bail, A","$-beta-Ba~3~AlF~9~, a complex structure determined from conventional X- ray powder diffraction","Journal of Solid State Chemistry","1993","103","","287","291","10.1006/jssc.1993.1102","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000224","10.5276","0.0004","7.797","0.0002","12.8156","0.0004","90","","90","","90","","1052","","","","","","","","","","","","","5","P n c 2","P 2 -2bc","30","","Ammonium manganese ferrate hexafluoride * - deuterated","","- D4 F6 Fe Mn N -","- D4 F6 Fe Mn N -","- D32 F48 Fe8 Mn8 N8 -","8","2","","Leblanc, M; Ferey, G; de Pape, R; Pannetier, J","Nuclear and magnetic structures of N D~4~ Mn Fe F~6~ at 4.2 K.","Solid State Communications","1986","58","","165","169","10.1016/0038-1098(86)90835-5","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001197","8.862","0.008","10.187","0.01","7.638","0.006","90","","90","","90","","689.5","","","","","","","","","","","","","4","P n c 2","P 2 -2bc","30","","Potassium copper tantalate","","- Cu K O9 Ta3 -","- Cu K O9 Ta3 -","- Cu4 K4 O36 Ta12 -","4","1","","Groult, D; Hervieu, M; Raveau, B","A Pentagonal Tunnel Structure with Copper in Square Planar Coordination: The Oxides K Cu Nb~3~ O~9~ and K Cu Ta~3~ O~9~","Journal of Solid State Chemistry","1984","53","","184","192","10.1016/0022-4596(84)90093-8","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1505589","24.272","0.003","9.5983","0.001","17.1748","0.0018","90","","90","","90","","4001.2","0.8","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P n c 2","P 2 -2bc","30","","","","- C22 H23 B2 Cu F8 N5 -","- C22 H23 B2 Cu F8 N5 -","- C132 H138 B12 Cu6 F48 N30 -","6","1.5","","Lebel, Hélène; Lectard, Sylvain; Parmentier, Michaël","Copper-catalyzed alkene aziridination with N-tosyloxycarbamates.","Organic letters","2007","9","23","4797","4800","10.1021/ol702152e","","","1.54178","CuKα","","0.0516","0.0495","","","0.1361","0.1381","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1559473","6.7784","0.0002","6.7175","0.0002","8.6991","0.0003","90","","90","","90","","396.1","0.02","248","","248","","","","","","","","","4","P n c 2","P 2 -2bc","30","Diammine_Barium_Borohydride","","","- B2 Ba H14 N2 -","- B2 Ba H14 N2 -","- B4 Ba2 H28 N4 -","2","0.5","","Grinderslev, Jakob B.; Amdisen, Mads B.; Jensen, Torben R.","Synthesis, Crystal Structures and Thermal Properties of Ammine Barium Borohydrides","Inorganics","2020","8","10","57","","10.3390/inorganics8100057","powder diffraction","","","Synchrotron","","","","","","","","","2.028","2279.3","","","","","","","has coordinates","259003","2020-11-06","16:21:41",""
"1565492","23.58","0.003","13.7258","0.0017","9.3558","0.0011","90","","90","","90","","3028","0.6","296","2","296","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C33 H24 Co N4 O6 -","- C33 H24 Co N4 O6 -","- C132 H96 Co4 N16 O24 -","4","1","","Hu, Dong-Cheng; Wu, Ya-Jun; Sun, Jing; Shang, Ke-Xia; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Five coordination polymers based on two asymmetric Semi-rigid carboxylate organic ligands and N-donor 4, 4′-di (1H-imidazol-1-yl)-1, 1′-biphenyl ligand: Solvent-induced synthesis, crystal structures, magnetic and dye absorption properties","Inorganica Chimica Acta","2020","502","","119356","","10.1016/j.ica.2019.119356","","","0.71073","MoKα","","0.0504","0.0412","","","0.1126","0.1173","","","","","","1.09","","","","has coordinates","271002","2021-12-03","09:45:40",""
"1572535","6.7996","0.0013","16.42","0.003","9.4868","0.0017","90","","90","","90","","1059.2","0.3","273.15","","273.15","","","","","","","","","4","P n c 2","P 2 -2bc","30","","","","- B3 K3 La2 O9 -","- B3 K3 La2 O9 -","- B12 K12 La8 O36 -","4","1","","Song, Jie; Zhao, Huijian; Li, Conggang; Ye, Ning; Hu, Zhanggui; Wu, Yicheng","A-site cations manipulation of exemplary second harmonic generation response and optical anisotropy in rare-earth borates","Chemical Science","2024","","","","","10.1039/D4SC05081A","","x-ray","0.71073","MoKα","","0.0518","0.0399","","","0.0938","0.096","","","","","","0.983","","","","has coordinates,has disorder","294662","2024-09-06","22:08:16",""
"2002547","8.85","0.009","10.144","0.003","7.629","0.003","90","","90","","90","","684.9","","","","","","","","","","","","","4","P n c 2","P 2 -2bc","30","","Potassium copper tritantalum oxide","","- Cu K O9 Ta3 -","- Cu K O9 Ta3 -","- Cu4 K4 O36 Ta12 -","4","1","","Harneit, O; Mueller-Buschbaum, Hk","Ein Beitrag ueber K Cu Ta3 O9","Journal of Alloys Compd.","1992","184","","L21","L25","10.1016/0925-8388(92)90491-Q","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2009547","9.2228","0.0008","11.7012","0.0008","9.8752","0.0009","90","","90","","90","","1065.71","0.15","293","","","","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C18 H28 Cd Cl2 N6 -","- C18 H28 Cd Cl2 N6 -","- C36 H56 Cd2 Cl4 N12 -","2","0.5","LI1057","Castro, J.A.; Romero, J.; Garcia-Vazquez, J.A.; Macias, A.; Sousa, A.; Englert, U.","Dichloro[5,8-dimethyl-1,12-di-2-pyrrolyl-2,5,8,11-tetraaza-1,11-dodecadiene-<i>N</i>^2^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^11^]cadmium(II)","Acta Crystallographica Section C","1994","50","3","369","371","10.1107/S0108270193007577","","","1.5406","CuKα","","","0.042","","","0.049","","","","","1.15","1.15","","","","","has coordinates","198527","2020-10-21","18:00:00",""
"2012570","7.3355","0.0003","9.4033","0.0004","14.1728","0.0007","90","","90","","90","","977.61","0.08","173","2","173","2","","","","","","","","6","P n c 2","P 2 -2bc","30","","pyridinium tetrachloro(oxo)pyridineniobate(V) pyridine solvate","","- C15 H16 Cl4 N3 Nb O -","- C15 H16 Cl4 N3 Nb O -","- C30 H32 Cl8 N6 Nb2 O2 -","2","0.5","FR1359","Guzei, Ilia A.; Roberts, John; Saulys, Dovas A.","Pseudosymmetry in pyridinium tetrachloro(oxo)pyridineniobate(V) pyridine solvate","Acta Crystallographica Section C","2002","58","3","m141","m143","10.1107/S0108270101021886","","","0.71073","MoKα","","0.02","0.02","","","0.054","0.054","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2107136","26.69","","10.353","","8.34","","90","","90","","90","","2304.52","","","","","","","","","","","","","4","P n c 2","P 2 -2bc","30","","K3 (Co (C N)6)","","- C6 Co K3 N6 -","- C6 Co K3 N6 -","- C48 Co8 K24 N48 -","8","2","","Reynhardt, E.C.; Boeyens, J.C.A.","Crystal structure of the four-layer orthorhombic polytype of potassium hexacyanocobaltate(III)","Acta Crystallographica B (24,1968-38,1982)","1972","28","","524","529","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2206657","9.993","0.002","14.223","0.003","10.175","0.002","90","","90","","90","","1446.2","0.5","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","Thionordazepam","7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione","","- C15 H11 Cl N2 S -","- C15 H11 Cl N2 S -","- C60 H44 Cl4 N8 S4 -","4","1","CI6627","Narasegowda, R. S.; Vijaya, T.; Yathirajan, H. S.; Nagaraja, P.; Narasimhamurthy, T.; Rathore, R. S.","Thionordazepam: strong intermolecular N—H···N hydrogen-bonded chains","Acta Crystallographica Section E","2005","61","9","o2934","o2936","10.1107/S1600536805025286","","","0.71073","MoKα","","0.1507","0.0615","","","0.1143","0.1416","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2214476","13.2402","0.0018","7.7416","0.0014","9.777","0.0012","90","","90","","90","","1002.1","0.3","298","2","298","2","","","","","","","","4","P n c 2","P 2 -2bc","30","","6,6'-Dimethoxy-2,2'-[m-phenylenedi(iminomethylene)]diphenol","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C44 H48 N4 O8 -","2","0.5","AT2307","Liu, Y.-F.; Xia, H.-T.; Yang, S.-P.; Wang, D.-Q.","6,6'-Dimethoxy-2,2'-[<i>m</i>-phenylenedi(iminomethylene)]diphenol","Acta Crystallographica Section E","2007","63","8","o3559","o3559","10.1107/S1600536807027742","","","0.71073","MoKα","","0.0954","0.0417","","","0.0925","0.1189","","","","","","1.051","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"4001944","8.1443","0.0003","8.1171","0.0003","11.7005","0.0005","90","","90","","90","","773.5","0.05","293","2","293","2","","","","","","","","3","P n c 2","P 2 -2bc","30","","","","- Ag I3 O8 -","- Ag I3 O8 -","- Ag4 I12 O32 -","4","1","","Xu, Xiang; Hu, Chun-Li; Li, Bing-Xuan; Yang, Bing-Ping; Mao, Jiang-Gao","α-AgI3O8and β-AgI3O8with Large SHG Responses: Polymerization of IO3Groups into the I3O8Polyiodate Anion","Chemistry of Materials","2014","26","10","3219","","10.1021/cm500898q","","","0.71073","MoKα","","0.0226","0.0206","","","0.0455","0.0469","","","","","","1.028","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4033791","24.3624","0.0004","9.6996","0.0001","17.2506","0.0003","90","","90","","90","","4076.41","0.11","290","2","290","2","","","","","","","","6","P n c 2","P 2 -2bc","30","","","","- C22 H23 B2 Cu F8.67 N5 -","- C22 H23 B2 Cu F8.66667 N5 -","- C132 H138 B12 Cu6 F52 N30 -","6","1.5","","Przypis, Lukasz; Walczak, Krzysztof Zdzislaw","Copper(II)-Catalyzed Iodinations of Carbazoles: Access to Functionalized Carbazoles.","The Journal of organic chemistry","2019","84","4","2287","2296","10.1021/acs.joc.8b02821","","","0.71073","MoKα","","0.0507","0.0466","","","0.1337","0.1393","","","","","","1.045","","","","has coordinates","222366","2020-10-21","18:00:00",""
"4037601","7.7417","0.0004","11.2941","0.0006","10.329","0.0004","90","","90","","90","","903.12","0.08","110","2","110","2","","","","","","","","4","P n c 2","P 2 -2bc","30","","'3,5'-Dibromo-5,3'-diphenyl-[4,4']bipyridinyl'","","- C22 H14 Br2 N2 -","- C22 H14 Br2 N2 -","- C44 H28 Br4 N4 -","2","0.5","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","0.7107","MoKα","","0.0426","0.0372","","","0.0905","0.0945","","","","","","1.071","","","","has coordinates","243440","2020-10-21","18:00:00",""
"4063088","9.3215","0.0004","13.5687","0.0006","23.3323","0.0011","90","","90","","90","","2951.1","0.2","293","2","293","2","","","","","","","","7","P n c 2","P 2 -2bc","30","","","","- C36 H64 B20 Li O3 Si2 Sm -","- C36 H64 B20 Li O3 Si2 Sm -","- C72 H128 B40 Li2 O6 Si4 Sm2 -","2","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4126493","31.10717","0.00018","22.29586","0.00014","19.62199","0.00012","90","","90","","90","","13609","0.14","122.8","0.7","122.8","0.7","","","","","","","","7","P n c 2","P 2 -2bc","30","","","","- C80.5 H71 As5 B Cl F4 Fe2 -","- C80.5 H71 As5 B Cl F4 Fe2 -","- C644 H568 As40 B8 Cl8 F32 Fe16 -","8","2","","Schmidt, Monika; Seitz, Andreas E.; Eckhardt, Maria; Balázs, Gábor; Peresypkina, Eugenia V.; Virovets, Alexander V.; Riedlberger, Felix; Bodensteiner, Michael; Zolnhofer, Eva M.; Meyer, Karsten; Scheer, Manfred","Transfer Reagent for Bonding Isomers of Iron Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07354","","x-ray","1.54178","CuKα","","0.0258","0.0238","","","0.0584","0.0589","","","","","","0.999","","","","has coordinates,has disorder","287897","2023-11-30","16:40:40",""
"4336624","22.1408","0.0006","24.5577","0.0008","7.3445","0.0002","90","","90","","90","","3993.4","0.2","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C39 H21 Ce N O8 -","- C39 H21 Ce N O8 -","- C156 H84 Ce4 N4 O32 -","4","1","","Yan-Ping He; Yan-Xi Tan; Jian Zhang","Gas Sorption, Second-Order Nonlinear Optics, and Luminescence Properties of a Series of Lanthanide-Organic Frameworks Based on Nanosized Tris((4-carboxyl)phenylduryl)amine Ligand","Inorganic Chemistry","2013","52","","12758","12762","10.1021/ic4020256","","","0.71073","MoKα","","0.0722","0.0663","","","0.1748","0.1793","","","","","","1.108","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4344229","14.229","","24.136","","6.907","","90","","90","","90","","2372.08","","","","","","","","","","","","","6","P n c 2","P 2 -2bc","30","","(K4 (V2 O2 Se10)) (C H3 O H)2","","- C2 H8 K4 O4 Se10 V2 -","- C2 K4 O4 Se10 V2 -","- C8 K16 O16 Se40 V8 -","4","1","","Liao, J.-H.; Hill, L.; Kanatzidis, M.G.","Methanothermal synthesis of two dimeric vanadium polyselenides, (V2 O2 Se10)4- and (V2 O2 Se8)4-","Inorganic Chemistry","1993","32","","4650","4652","","","","","","","","","","","","","","","","","","","","","","has coordinates","161383","2020-10-21","18:00:00",""
"4348753","27.3723","0.0006","19.1347","0.0003","12.3204","0.0003","90","","90","","90","","6452.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","4","P n c 2","P 2 -2bc","30","","","","- C67 H106 Ge P2 -","- C67 H106 Ge P2 -","- C268 H424 Ge4 P8 -","4","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.; Probert, Michael R.","Remote Substituent Effects on the Structures and Stabilities of P═E π-Stabilized Diphosphatetrylenes (R<sub>2</sub>P)<sub>2</sub>E (E = Ge, Sn).","Inorganic chemistry","2016","55","20","10510","10522","10.1021/acs.inorgchem.6b01566","","","1.54184","CuKα","","0.0851","0.0697","","","0.1835","0.194","","","","","","1.1","","","","has coordinates","233313","2020-10-21","18:00:00",""
"4350056","18.954","0.002","15.8604","0.0019","8.7328","0.0009","90","","90","","90","","2625.2","0.5","123","2","123","","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C26 H26 Fe N6 Se2 -","- C26 H26 Fe N6 Se2 -","- C104 H104 Fe4 N24 Se8 -","4","1","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property‒structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71073","MoKα","","0.1449","0.0847","","","0.1618","0.1843","","","","","","1.118","","","","has coordinates","237963","2020-10-21","18:00:00",""
"4350229","14.056","0.0012","4.8159","0.0004","12.5757","0.0011","90","","90","","90","","851.28","0.13","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C17 H14 Cu N5 S2 -","- C17 H14 Cu N5 S2 -","- C34 H28 Cu2 N10 S4 -","2","0.5","","Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng","Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.","Inorganic chemistry","2006","45","10","4035","4046","10.1021/ic060074x","","","0.71073","MoKα","","0.0629","0.0592","","","0.1883","0.1999","","","","","","1.217","","","","has coordinates","239797","2020-10-21","18:00:00",""
"4350368","11.946","0.002","34.586","0.007","15.423","0.003","90","","90","","90","","6372","2","100","","100","","","","","","","","","8","P n c 2","P 2 -2bc","30","","","","- C54 H106 B2 Cl0.36 Mn1.9 N4.63 P6 Tl0.1 -","- C54 H106 B2 Cl0.359 Mn1.899 N4.626 P6 Tl0.101 -","- C216 H424 B8 Cl1.436 Mn7.596 N18.504 P24 Tl0.404 -","4","1","","Lu, Connie C.; Peters, Jonas C.","Pseudotetrahedral manganese complexes supported by the anionic tris(phosphino)borate ligand [PhBP(iPr)3].","Inorganic chemistry","2006","45","21","8597","8607","10.1021/ic060735q","","","0.71073","MoKα","","0.0938","0.0573","","","0.0751","0.0783","","","","","","1.491","","","","has coordinates,has disorder","239861","2020-10-21","18:00:00",""
"4501286","11.0271","0.0003","16.9334","0.0005","9.6188","0.0003","90","","90","","90","","1796.08","0.09","180","","180","","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C32 H27 N8 O17.5 Zr -","- C32 H26 N8 O17.5 Zr -","- C64 H52 N16 O35 Zr2 -","2","0.5","","Mouchaham, Georges; Roques, Nans; Brandès, Stéphane; Duhayon, Carine; Sutter, Jean-Pascal","Self-Assembly of Zr(C2O4)44‒Metallotectons and Bisimidazolium Cations: Influence of the Dication on H-Bonded Framework Dimensionality and Material Potential Porosity","Crystal Growth & Design","2011","11","12","5424","","10.1021/cg201008v","","","0.71073","MoKα","","0.036","0.0302","","0.0396","0.0339","0.033","","","","","","1.1286","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501287","10.699","0.003","16.784","0.006","10.022","0.003","90","","90","","90","","1799.7","1","373","2","373","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C16 H12 N4 O8 Zr0.5 -","- C16 H12 N4 O8 Zr0.5 -","- C64 H48 N16 O32 Zr2 -","4","1","","Mouchaham, Georges; Roques, Nans; Brandès, Stéphane; Duhayon, Carine; Sutter, Jean-Pascal","Self-Assembly of Zr(C2O4)44‒Metallotectons and Bisimidazolium Cations: Influence of the Dication on H-Bonded Framework Dimensionality and Material Potential Porosity","Crystal Growth & Design","2011","11","12","5424","","10.1021/cg201008v","","","0.71073","MoKα","","0.074","0.0551","","","0.1359","0.151","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501836","9.549","0.004","26.717","0.01","12.141","0.005","90","","90","","90","","3097","2","293","2","293","2","","","","","","","","7","P n c 2","P 2 -2bc","30","","","","- C30 H22 Ag B F4 N4 O0.5 -","- C30 H22 Ag B F4 N4 O0.5 -","- C120 H88 Ag4 B4 F16 N16 O2 -","4","1","","Ni, Jia; Wei, Kai-Ju; Liu, Yangzhong; Huang, Xiao-Chun; Li, Dan","Silver Coordination Polymers Based on Neutral Trinitrile Ligand: Topology and the Role of Anion","Crystal Growth & Design","2010","10","9","3964","","10.1021/cg1005242","","","0.71073","MoKα","","0.1013","0.0738","","","0.1808","0.1964","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501837","9.8704","0.0006","26.39","0.0016","12.1381","0.0007","90","","90","","90","","3161.7","0.3","293","2","293","2","","","","","","","","6","P n c 2","P 2 -2bc","30","","","","- C28 H23 Ag Cl N4 O5.5 -","- C28 H22 Ag Cl N4 O5 -","- C112 H88 Ag4 Cl4 N16 O20 -","4","1","","Ni, Jia; Wei, Kai-Ju; Liu, Yangzhong; Huang, Xiao-Chun; Li, Dan","Silver Coordination Polymers Based on Neutral Trinitrile Ligand: Topology and the Role of Anion","Crystal Growth & Design","2010","10","9","3964","","10.1021/cg1005242","","","0.71073","MoKα","","0.0856","0.0736","","","0.1933","0.2023","","","","","","1.029","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501838","10.0613","0.0008","26.359","0.002","11.993","0.0009","90","","90","","90","","3180.6","0.4","293","2","293","2","","","","","","","","7","P n c 2","P 2 -2bc","30","","","","- C31 H22 Ag F3 N4 O3.5 S -","- C31 H22 Ag F3 N4 O3.5 S -","- C124 H88 Ag4 F12 N16 O14 S4 -","4","1","","Ni, Jia; Wei, Kai-Ju; Liu, Yangzhong; Huang, Xiao-Chun; Li, Dan","Silver Coordination Polymers Based on Neutral Trinitrile Ligand: Topology and the Role of Anion","Crystal Growth & Design","2010","10","9","3964","","10.1021/cg1005242","","","0.71073","MoKα","","0.0594","0.0485","","","0.1052","0.1104","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511399","14.6561","0.0005","23.4491","0.0006","16.0392","0.0007","90","","90","","90","","5512.2","0.3","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C24 H8 O16 S4 Zn3 -","- C24 H8 O16 S4 Zn3 -","- C96 H32 O64 S16 Zn12 -","4","1","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Organic Cation Templated Synthesis of Three Zinc‒2,5-Thiophenedicarboxylate Frameworks for Selective Gas Sorption","Crystal Growth & Design","2014","14","7","3493","","10.1021/cg500436g","","","0.71073","MoKα","","0.0467","0.0387","","","0.1078","0.1121","","","","","","1.025","","","","has coordinates","179660","2020-10-21","18:00:00",""
"7024385","10.3087","0.0005","22.4368","0.0015","10.3102","0.0005","90","","90","","90","","2384.7","0.2","120","2","120","2","","","","","","","","5","P n c 2","P 2 -2bc","30","1,2-bis(methylthiomethyl)benzenebis(pentachloroniobium(V))","1,2-bis(methylthiomethyl)benzenebis(pentachloroniobium(V))","","- C10 H14 Cl10 Nb2 S2 -","- C10 H14 Cl10 Nb2 S2 -","- C40 H56 Cl40 Nb8 S8 -","4","1","","Jura, Marek; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael","Six- and eight-coordinate thio- and seleno-ether complexes of NbF5 and some comparisons with NbCl5 and NbBr5 adducts.","Dalton transactions (Cambridge, England : 2003)","2010","39","3","883","891","10.1039/b916336k","","","0.71073","MoKα","","0.0583","0.0518","","","0.1129","0.1165","","","","","","1.057","","","","has coordinates","179948","2020-10-21","18:00:00",""
"7036109","16.3423","0.001","15.907","0.0009","15.684","0.001","90","","90","","90","","4077.2","0.4","100","","100","","","","","","","","","6","P n c 2","P 2 -2bc","30","","","","- C42 H42 B N3 P2 S -","- C42 H42 B N3 P2 S -","- C168 H168 B4 N12 P8 S4 -","4","1","","Jaiswal, Kuldeep; Prashanth, Billa; Ravi, Satyam; Shamasundar, K. R.; Singh, Sanjay","Reactivity of a dihydroboron species: synthesis of a hydroborenium complex and an expedient entry into stable thioxo- and selenoxo-boranes.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15779","15785","10.1039/c5dt02788h","","","0.71073","MoKα","","0.0378","0.0341","","","0.0884","0.0901","","","","","","1.058","","","","has coordinates","161520","2020-10-21","18:00:00",""
"7047703","12.262","0.0004","18.1554","0.0006","9.4626","0.0003","90","","90","","90","","2106.58","0.12","223","","223","","","","","","","","","6","P n c 2","P 2 -2bc","30","","","","- C34 H40 Cl2 Dy2 N4 O16 -","- C34 H40 Cl2 Dy2 N4 O16 -","- C68 H80 Cl4 Dy4 N8 O32 -","2","0.5","","Qin, Yaru; Jing, Yu; Ge, Yu; Liu, Wei; Li, Yahong; Zhang, Yi-Quan","Enhanced energy barriers triggered by magnetic anisotropy modulation via tuning the functional groups on the bridging ligands in Dy<sub>2</sub> single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15197","15205","10.1039/c8dt03506g","","","0.71073","MoKα","","0.0286","0.0213","","","0.0411","0.0427","","","","","","1.062","","","","has coordinates,has disorder","229475","2020-10-21","18:00:00",""
"7101716","21.8936","0.0005","13.9582","0.0003","12.3029","0.0003","90","","90","","90","","3759.71","0.15","173","2","173","2","","","","","","","synthesis as described","4","P n c 2","P 2 -2bc","30","","","","- C33 H41 I5 N2 -","- C33 H41 I5 N2 -","- C132 H164 I20 N8 -","4","1","","Hitchcock, Peter B; Lappert, Michael F; Li, Gang; Protchenko, Andrey V","beta-Diiminato ligand (L) transformations in reactions of KL with PI3 and I2 [L = {N(C6H3Pr(i)2-2,6)C(H)}2CPh].","Chemical communications (Cambridge, England)","2007","","8","846","848","10.1039/b611260a","","x-ray","0.71073","MoKα","","0.0554","0.0393","","","0.0796","0.0854","","","","","","1.02","","","","has coordinates,has disorder","180119","2020-10-21","18:00:00",""
"7108496","14.6913","0.0003","27.103","0.0005","8.2799","0.0001","90","","90","","90","","3296.88","0.1","90","2","90","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C54 H41 Co2 N21 O13 -","- C54 H41 Co2 N21 O13 -","- C108 H82 Co4 N42 O26 -","2","0.5","","Yumi Yakiyama; Akira Ueda; Yasushi Morita; Masaki Kawano","Crystal surface mediated structure transformation of a kinetic framework composed of multi-interactive ligand TPHAP and Co(II)","Chem.Commun.","2012","48","","10651","","10.1039/c2cc35078e","","","0.6889","synchrotron","","0.0902","0.0722","","","0.194","0.2066","","","","","","1.102","","","","has coordinates,has disorder","180188","2020-10-21","18:00:00",""
"7155407","7.3791","0.0001","12.5501","0.0002","7.4981","0.0001","90","","90","","90","","694.387","0.017","150","","150","","","","","","","","","4","P n c 2","P 2 -2bc","30","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","0.5","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","1.5418","CuKα","","0.0253","0.0252","","0.0692","0.0691","0.0692","","","","","","1.0136","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7201063","12.264","0.003","28.899","0.006","9.6755","0.0019","90","","90","","90","","3429.2","1.3","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C80 H58 Cd2 N4 O17 -","- C80 H58 Cd2 N4 O17 -","- C160 H116 Cd4 N8 O34 -","2","0.5","","Cao, Xin-Yi; Yao, Yuan-Gen; Qin, Ye-Yan; Lin, Qi-Pu; Li, Zhao-Ji; Cheng, Jian-Kai; Zhang, Rui-Bo","Trapping in situ scission products of C‒O ester bonds by unique coordination supramolecular architectures","CrystEngComm","2009","11","9","1815","","10.1039/b904387j","","","0.71073","MoKα","","0.0521","0.042","","","0.1032","0.1111","","","","","","1.013","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7204067","14.033","0.004","28.54","0.01","6.435","0.002","90","","90","","90","","2577.2","1.4","288.2","","288.2","","","","","","","","","7","P n c 2","P 2 -2bc","30","","","","- C64 H32 As Co0.5 F6 N16 Ni1.5 -","- C64 H32 As0.5 Co0.5 F6 N16 Ni1.5 -","- C128 H64 As Co F12 N32 Ni3 -","2","0.5","","Ding, Yuqin; Simonyan, Mkhital; Yonehara, Yukako; Uruichi, Mikio; Yakushi, Kyuya","Preparation and characterization of phthalocyanine-based organic alloy CoxNi1 − xPc(AsF6)0.5 (0 ≤ x ≤ 1)","Journal of Materials Chemistry","2001","11","5","1469","","10.1039/b100043h","","","0.7107","MoKα","","","0.0677","","","0.0881","","","","","2.709","2.709","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208653","9.536","0.0012","17.804","0.002","11.453","0.0016","90","","90","","90","","1944.5","0.4","295","2","295","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C19 H19 Co N3 O6 -","- C19 H19 Co N3 O6 -","- C76 H76 Co4 N12 O24 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0595","0.0528","","","0.1404","0.1455","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208654","9.4225","0.0018","17.784","0.004","11.416","0.003","90","","90","","90","","1913","0.8","295","2","295","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C19 H19 N3 Ni O6 -","- C19 H19 N3 Ni O6 -","- C76 H76 N12 Ni4 O24 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0633","0.0567","","","0.1535","0.1589","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212876","11.0239","0.001","17.054","0.001","9.754","0.001","90","","90","","90","","1833.8","0.3","250","2","250","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C16 H13.5 N4 O8.75 Zr0.5 -","- C16 H13.5 N4 O8.75 Zr0.5 -","- C64 H54 N16 O35 Zr2 -","4","1","","Mouchaham, Georges; Roques, Nans; Kaiba, Abdellah; Guionneau, Philippe; Sutter, Jean-Pascal","Tubular crystals growth for a nanoporous hydrogen-bonded metal‒organic framework","CrystEngComm","2010","12","11","3496","","10.1039/c0ce00256a","","","0.71073","MoKα","","0.0656","0.037","","","0.0792","0.0901","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212877","10.699","0.003","16.784","0.006","10.022","0.003","90","","90","","90","","1799.7","1","373","2","373","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C16 H12 N4 O8 Zr0.5 -","- C16 H12 N4 O8 Zr0.5 -","- C64 H48 N16 O32 Zr2 -","4","1","","Mouchaham, Georges; Roques, Nans; Kaiba, Abdellah; Guionneau, Philippe; Sutter, Jean-Pascal","Tubular crystals growth for a nanoporous hydrogen-bonded metal‒organic framework","CrystEngComm","2010","12","11","3496","","10.1039/c0ce00256a","","","0.71073","MoKα","","0.074","0.0551","","","0.1359","0.151","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7223180","8.3848","0.0017","14.808","0.003","11.494","0.002","90","","90","","90","","1427.1","0.5","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C21 H26.2 Cd N7 O8.6 -","- C18 H12 Cd N6 O4 -","- C36 H24 Cd2 N12 O8 -","2","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0312","0.0284","","","0.0763","0.0779","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7237542","6.8569","0.0012","16.734","0.002","7.414","0.0016","90","","90","","90","","850.7","0.3","294","2","294","2","","","","","","","","4","P n c 2","P 2 -2bc","30","","16,20-dinitro-(3,4;8,9)-dibenzo-2,7-dioxa-5,10-diaza[4.4.4]propellane","","- C18 H16 N4 O6 -","- C18 H16 N4 O6 -","- C36 H32 N8 O12 -","2","0.5","","Miniewicz, Andrzej; Bartkiewicz, Stanislaw; Wojaczynska, Elzbieta; Galica, Tomasz; Zalesny, Robert; Jakubas, Ryszard","Second harmonic generation in nonlinear optical crystals formed from propellane-type molecules","Journal of Materials Chemistry C","2019","7","5","1255","","10.1039/C8TC05268A","","","0.71073","MoKα","","0.183","0.0464","","","0.0655","0.0866","","","","","","0.732","","","","has coordinates","237759","2020-10-21","18:00:00",""
"7714136","29.2455","0.0014","13.7868","0.0007","12.798","0.0006","90","","90","","90","","5160.2","0.4","200","","200","","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C59 H45 Ir N4 O8 -","- C59 H45 Ir N4 O8 -","- C236 H180 Ir4 N16 O32 -","4","1","","Tatarin, Sergei V.; Meshcheriakova, Elizaveta A.; Kozyukhin, Sergey; Emets, Victor; Bezzubov, Stanislav","Rational design of efficient photosensitizers based on cyclometalated iridium(III) complexes with 2-arylbenzimidazole and aromatic 1,3-diketone ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02789A","","x-ray","0.71073","MoKα","","0.0521","0.0308","","","0.0747","0.0881","","","","","","1.086","","","","has coordinates,has disorder","286835","2023-10-06","23:03:34",""
"8000391","34.557","0.003","22.3796","0.0019","32.859","0.003","90","","90","","90","","25412","4","160","","160","","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C216 H144 Cu25 F36 P12 -","- C216 H144 Cu25 F36 P12 -","- C864 H576 Cu100 F144 P48 -","4","1","","Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou","Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters.","The journal of physical chemistry letters","2019","10","20","6124","6128","10.1021/acs.jpclett.9b02297","","","0.71073","MoKα","","0.1692","0.0956","","","0.2458","0.2819","","","","","","0.984","","","","has coordinates","236666","2020-10-21","18:00:00",""
"8000392","34.5313","0.0012","22.4275","0.0009","32.5487","0.0014","90","","90","","90","","25207.4","1.7","170","","170","","","","","","","","","6","P n c 2","P 2 -2bc","30","","","","- C216 H144 Au Cu24 F36 P12 -","- C216 H144 Au Cu24 F36 P12 -","- C864 H576 Au4 Cu96 F144 P48 -","4","1","","Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou","Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters.","The journal of physical chemistry letters","2019","10","20","6124","6128","10.1021/acs.jpclett.9b02297","","","0.71073","MoKα","","0.1369","0.0758","","","0.1897","0.2154","","","","","","0.94","","","","has coordinates","236668","2020-10-21","18:00:00",""
"9001992","18.66","","10.697","","13.874","","90","","90","","90","","2769.33","","","","","","","","","","","","","6","P n c 2","P 2 -2bc","30","","","Armenite","- Al6 Ba Ca2 H4 O32.11 Si9 -","- Al6 Ba Ca2 H4 O32.11 Si9 -","- Al24 Ba4 Ca8 H16 O128.44 Si36 -","4","1","","Armbruster, T.","Si,Al ordering in the double-ring silicate armenite, BaCa2Al6Si9O30.2H2O: A single-crystal X-ray and 29Si MAS NMR study","American Mineralogist","1999","84","","92","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9009556","14.195","","14.75","","7.511","","90","","90","","90","","1572.62","","","","","","","","","","","","","4","P n c 2","P 2 -2bc","30","","","Terskite","- Na4 O18 Si6 Zr -","- Na4 O18 Si6 Zr -","- Na16 O72 Si24 Zr4 -","4","1","","Pudovkina, Z. V.; Chernitsova, N. M.","Crystal structure of terskite Na4Zr[H4Si6O18]","Doklady Akademii Nauk SSSR","1991","316","","645","649","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9012533","13.38","","10.37","","8.38","","90","","90","","90","","1162.73","","","","","","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C4.98 Cr K3 N6 O1.02 -","- C4.98 Cr K3 N6 O1.02 -","- C19.92 Cr4 K12 N24 O4.08 -","4","1","","Vannerberg, N. G.","The crystal structure of K3Cr(CN)5NO","Acta Chemica Scandinavica","1966","20","","1571","1576","10.3891/acta.chem.scand.20-1571","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""