# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T11:48:26+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P b n a' 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
"1505722","16.345","0.004","17.334","0.004","14.973","0.003","90","","90","","90","","4242.2","1.7","293","2","293","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C36 H49 Cl N12 Ni2 O6 -","- C18 H24.5 Cl0.5 N6 Ni O3.5 -","- C144 H196 Cl4 N48 Ni8 O28 -","8","1","","Sarkar, Sumana; Datta, Ayan; Mondal, Amrita; Chopra, Deepak; Ribas, Joan; Rajak, Kajal Krishna; Sairam S M, Sairam; Pati, Swapan K.","Competing magnetic interactions in a dinuclear Ni(II) complex: antiferromagnetic O-H...O moiety and ferromagnetic N3- ligand.","The journal of physical chemistry. B","2006","110","1","12","15","10.1021/jp0556963","","","0.71073","MoKα","","0.1434","0.1057","","","0.1991","0.2139","","","","","","1.283","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511647","6.002","","12.401","","22.706","","90","","90","","90","","1690.03","","","","","","","","","","","","","3","P b n a","-P 2ac 2b","60","","P2 B4 Cl4","","- B4 Cl4 P2 -","- B4 Cl4 P2 -","- B32 Cl32 P16 -","8","1","","Sawitzki, G.; Haubold, W.; Keller, W.","Das erste closo-Diphosphahexaboran P2 B4 Cl4.","Angewandte Chemie (German Edition)","1988","100","","958","959","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1529013","6.9925","","14.2884","","34.062","","90","","90","","90","","3403.19","","","","","","","","","","","","","3","P b n a","-P 2ac 2b","60","","Rb8 U9 O31","","- O31 Rb8 U9 -","- O31 Rb8 U9 -","- O124 Rb32 U36 -","4","0.5","","Yagoubi, S.; Obbade, S.; Dion, C.; Abraham, F.","Crystal structures of Rb2 U2 O7 and Rb8 U9 O31, a new layered rubidium uranate","Journal of Solid State Chemistry","2005","178","","3218","3232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530225","21.524","","8.345","","14.42","","90","","90","","90","","2590.09","","","","","","","","","","","","","6","P b n a","-P 2ac 2b","60","","K (Pt (N H3) Br3) (H2 O)","","- Br3 H5 K N O Pt -","- Br3 H5 K N O Pt -","- Br36 H60 K12 N12 O12 Pt12 -","12","1.5","","Kukina, G.A.; Bokii, G.B.","Roentgenostructural investigation of the monohydrates of potassium trichlorineammoniaplatinate and potassium tribromineammoniaplatinate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1965","6","","233","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530226","21.048","","8.123","","13.55","","90","","90","","90","","2316.68","","","","","","","","","","","","","6","P b n a","-P 2ac 2b","60","","K (Pt N H3 Cl3) (H2 O)","","- Cl3 H5 K N O Pt -","- Cl3 H5 K N O Pt -","- Cl36 H60 K12 N12 O12 Pt12 -","12","1.5","","Kukina, G.A.; Bokii, G.B.","Roentgenostructural investigation of monohydrates potassium trichlorineammoniaplatinate and potassium tribromineammoniaplatinate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1965","6","","233","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1532729","5.663","","4.9043","","4.5401","","90","","90","","90","","126.092","","","","","","","","","","","","","2","P b n a","-P 2ac 2b","60","","","","- Mn N0.457 -","- Mn N0.457 -","- Mn8 N3.656 -","8","1","","Leineweber, A.; Kockelmann, W.; Jacobs, H.","Nitrogen ordering in zeta-(manganese nitrides) with hcp arrangement of Mn - Mn Ny with 0.39 < y < 0.48 - determined by neutron diffraction","Journal of Alloys Compd.","2004","368","","229","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534515","12.321","","10.325","","7.745","","90","","90","","90","","985.275","","","","","","","","","","","","","5","P b n a","-P 2ac 2b","60","","(N H4) Li (Ti F6)","","- F6 H4 Li N Ti -","- F6 H4 Li N Ti -","- F48 H32 Li8 N8 Ti8 -","8","1","","Gerasimenko, A.V.; Antokhina, T.F.; Kavun, V.Ya.; Sergienko, V.I.","Crystal structure and dynamics of complex ions in the N H4 Li Ti F6 compound, based on X-ray diffraction and nuclear magnetic resonance","Zhurnal Neorganicheskoi Khimii","1995","40","","1463","1465","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1544346","5.1686","0.0003","5.3814","0.0004","7.2426","0.0004","90","","90","","90","","201.45","0.02","","","","","","","","","","","","2","P b n a","-P 2ac 2b","60","Rh2O3 II High-P phase","","","- O3 Rh2 -","- O3 Rh2 -","- O12 Rh8 -","4","0.5","","Shannon, R.D.; Prewitt, C.T.","Synthesis and structure of a new high-pressure form of Rh2O3","Journal of Solid State Chemistry","1970","2","","134","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","187517","2020-10-21","18:00:00",""
"1549446","17.898","0.004","22.4914","0.0019","23.4","0.005","90","","90","","90","","9420","3","120","2","120","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C92 H80 Au4 N16 O13 P4 -","- C92 H80 Au4 N16 O13 P4 -","- C368 H320 Au16 N64 O52 P16 -","4","0.5","","Illán-Cabeza, Nuria A; García-García, Antonio R; Martínez-Martos, José M; Ramírez-Expósito, María J; Peña-Ruiz, Tomás; Moreno-Carretero, Miguel N","A potential antitumor agent, (6-amino-1-methyl-5-nitrosouracilato-N3)-triphenylphosphine-gold(I): structural studies and in vivo biological effects against experimental glioma.","European journal of medicinal chemistry","2013","64","","260","272","10.1016/j.ejmech.2013.03.067","","","0.71073","MoKα","","0.0846","0.0495","","","0.0735","0.0817","","","","","","1.079","","","","has coordinates","207914","2020-10-21","18:00:00",""
"1567940","5.432","","5.539","","7.875","","90","","90","","90","","236.942","","","","298","","","","8100000","","","","","2","P b n a","-P 2ac 2b","60","In2O3 at 8.1 GPa with Rh2O3 II structure","","In2O3 at 8.1 GPa","- In2 O3 -","- In2 O3 -","- In8 O12 -","4","0.5","","Yusa, H.; Tsuchiya, T.; Sata, N.; Ohishi, Y.","Rh2O3(II)-type structures in Ga2O3 and In2O3 under high pressure: Experiment and theory :In2O3 at 8.1 GPa","Physical Review B","2008","77","","064107","064107","10.1103/PhysRevB.77.064107","","","","","","","","","","","","","","","","","","","","","has coordinates","279172","2022-11-10","04:26:13",""
"1567941","4.732","0.001","4.855","0.001","6.942","0.002","90","","90","","90","","159.48","0.07","","","298","","","","52000000","","","","","2","P b n a","-P 2ac 2b","60","Ga2O3 at 52 GPa with Rh2O3 II structure","","Ga2O3 at 52 GPa","- Ga2 O3 -","- Ga2 O3 -","- Ga8 O12 -","4","0.5","","Yusa, H.; Tsuchiya, T.; Sata, N.; Ohishi, Y.","Rh2O3(II)-type structures in Ga2O3 and In2O3 under high pressure: Experiment and theory :Ga2O3 at 52 GPa","Physical Review B","2008","77","","064107","064107","10.1103/PhysRevB.77.064107","","","","","","","","","","","","","","","","","","","","","has coordinates","279173","2022-11-10","04:26:52",""
"2001575","12.145","0.002","13.832","0.003","14.624","0.004","90","","90","","90","","2456.7","0.9","","","","","","","","","","","","6","P b n a","-P 2ac 2b","","","","","- C12 H32 Cl3 Cr N6 O12 -","- C6 Cl1.5 Cr0.5 N3 O6 -","- C48 Cl12 Cr4 N24 O48 -","8","1","BR1007","Beveridge, K. A.; Heyd, D.; Kirk, A. D.","Structure of <i>cis</i>-(1,2-ethanediamine)(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate","Acta Crystallographica Section C","1993","49","6","1063","1066","10.1107/S0108270193002033","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003477","19.951","0.006","7.17","0.002","19.761","0.008","90","","90","","90","","2826.8","1.6","291","","","","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C12 H18 Br N3 O Zn -","- C12 H18 Br N3 O Zn -","- C96 H144 Br8 N24 O8 Zn8 -","8","1","MU1129","Haber, V.; Fábry, J.; Petříček, V.","A New Schiff Base Complex: {<i>N</i>-[3-(2-Aminoethylamino)propyl]salicylideneaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>N</i>''}bromozinc(II)","Acta Crystallographica Section C","1995","51","5","884","887","10.1107/S010827019401245X","","","0.56087","AgKα(Pdfilter)","","","","","","0.0777","","","","","2.65","2.65","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003655","18.441","0.003","24.561","0.004","17.497","0.003","90","","90","","90","","7925","2","103","","","","","","","","","","Ph~4~P[Mn~4~O~2~(O~2~CPh)~9~(OH~2~)] + Na^+^(2-Me~2~N-C~6~H~4~CO~2~^-^) in MeCN at 263 K","5","P b n a","-P 2ac 2b","60","","","","- C78 H62 Mn6 N4 O22 -","- C78 H62 Mn6 N4 O22 -","- C312 H248 Mn24 N16 O88 -","4","0.5","FG1000","Halcrow, M. A.; Streib, W. E.; Folting, K.; Christou, G.","[Mn~6~O~2~{O~2~C-3,5-(NO~2~)~2~-C~6~H~3~}~10~(C~5~H~5~N)~2~{(CH~3~)~2~CO}~2~].2(CH~3~)~2~CO.2(C~2~H~5~)~2~O and [Mn~6~O~2~(O~2~CC~6~H~5~)~10~(NCCH~3~)~4~]","Acta Crystallographica Section C","1995","51","7","1263","1267","10.1107/S0108270194013764","","","0.71069","MoKα","","","0.075","","","0.064","","","","","1.072","1.072","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2101117","7.082","0.001","19.889","0.003","24.899","0.003","90","","90","","90","","3507.1","0.8","","","","","","","","","","","","4","P b n a","-P 2ac 2b","","","","","- C19 H21 N5 O -","- C19 H22 N5 O -","- C152 H176 N40 O8 -","8","1","HA0121","Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S.","Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists","Acta Crystallographica Section B","1994","50","2","221","243","10.1107/S0108768193010407","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2221307","11.685","0.0002","14.892","0.0005","20.679","0.0007","90","","90","","90","","3598.42","0.18","173","2","173","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","(3-Anilino-1-phenyliminothioureato)chloridodimethyltin(IV)","","- C15 H17 Cl N4 S Sn -","- C15 H17 Cl N4 S Sn -","- C120 H136 Cl8 N32 S8 Sn8 -","8","1","BX2197","Delgado D., Jorge A.; Okio, Coco K. Y. A.; Welter, Richard","(3-Anilino-1-phenyliminothioureato)chloridodimethyltin(IV)","Acta Crystallographica Section E","2009","65","4","m426","","10.1107/S160053680900988X","","","0.71073","MoKα","","0.0819","0.0442","","","0.1059","0.1367","","","","","","1.087","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224249","6.016","0.004","14.299","0.009","26.878","0.017","90","","90","","90","","2312","3","98","2","98","2","","","","","","","","4","P b n a","-P 2ac 2b","60","2-hydrocy-5-[(4-methylphenyl)diazenyl]benzaldehyde","5-[(4-methylphenyl)diazenyl]salicylaldehyde","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","1","HB5215","Basu Baul, Tushar S.; Kundu, Sajal; Arman, Hadi D.; Tiekink, Edward R. T.","An orthorhombic polymorph of 5-[(4-methylphenyl)diazenyl]salicylaldehyde","Acta Crystallographica Section E","2009","65","12","o3061","","10.1107/S1600536809046868","","","0.71073","MoKα","","0.089","0.081","","","0.197","0.208","","","","","","1.14","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2231718","7.795","0.001","9.809","0.001","15.421","0.001","90","","90","","90","","1179.1","0.2","298","2","298","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","<i>catena</i>-Poly[[bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)zinc]- μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","","- C8 H14 N2 O6 Zn -","- C8 H14 N2 O6 Zn -","- C32 H56 N8 O24 Zn4 -","4","0.5","WM2511","Lee, Ju Eun; Lee, Hong-In","<i>catena</i>-Poly[[bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)zinc]-μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","Acta Crystallographica Section E","2011","67","9","m1172","","10.1107/S1600536811030479","","","0.9","Synchrotron","","0.0592","0.0577","","","0.1642","0.1688","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232895","10.266","0.0002","12.6981","0.0003","15.5885","0.0003","90","","90","","90","","2032.1","0.07","293","2","293","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","Bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","","- C22 H22 Co N2 O4 -","- C22 H22 Co N2 O4 -","- C88 H88 Co4 N8 O16 -","4","0.5","PV2467","Perdih, Franc","Bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","Acta Crystallographica Section E","2011","67","12","m1697","","10.1107/S1600536811046216","","","0.71073","MoKα","","0.0369","0.0319","","","","0.0888","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"4021093","10.0137","0.0002","13.9591","0.0002","33.0242","0.0004","90","","90","","90","","4616.2","0.13","150","","150","","","","","","","","","3","P b n a","-P 2ac 2b","60","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C216 H264 O48 -","12","1.5","","Sharanjeet K. Bagal; Robert M. Adlington; Jack E. Baldwin; Rodolfo Marquez","Dimerization of Butenolide Structures. A Biomimetic Approach to the Dimeric Sesquiterpene Lactones (±)-Biatractylolide and (±)-Biepiasterolide","Journal of Organic Chemistry","2004","69","","9100","9108","10.1021/jo0488053","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4037154","10.3267","0.0002","16.3628","0.0004","23.168","0.0006","90","","90","","90","","3914.78","0.16","293","2","293","2","","","","","","","","4","P b n a","-P 2ac 2b","60","","","","- C23 H25 N3 O2 -","- C23 H25 N3 O2 -","- C184 H200 N24 O16 -","8","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","0.71073","MoKα","","0.1522","0.0994","","","0.1966","0.2497","","","","","","1.184","","","","has coordinates","235725","2020-10-21","18:00:00",""
"4080894","7.9541","0.0008","13.085","0.0014","18.971","0.003","90","","90","","90","","1974.5","0.4","293","2","120","2","","","","","","","","3","P b n a","-P 2ac 2b","60","[(COD)Pt(CC(2Me)Ph)2]","Bis((2-methylphenyl)ethynyl)(1,5-cyclooctadien)platinum(II)","","- C26 H26 Pt -","- C26 H26 Pt -","- C104 H104 Pt4 -","4","0.5","","Lüning, Anna; Schur, Julia; Hamel, Laura; Ott, Ingo; Klein, Axel","Strong Cytotoxicity of Organometallic Platinum Complexes with Alkynyl Ligands","Organometallics","2013","32","13","3662","","10.1021/om400293u","","","0.71073","MoKα","","0.0483","0.0323","","","0.0827","0.0926","","","","","","0.947","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4082055","14.3294","0.0004","23.0287","0.0005","27.1137","0.0007","90","","90","","90","","8947.2","0.4","122.9","0.3","122.9","0.3","","","","","","","synthesis as described","6","P b n a","-P 2ac 2b","60","","","","- C42 H54 Cl2 Mo2 O8 P2 -","- C42 H54 Cl2 Mo2 O8 P2 -","- C336 H432 Cl16 Mo16 O64 P16 -","8","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Novel Dimerization of Maleic Anhydride at a Mo2 Complex: Phase-Driven Keto/Enol Tautomerism in a Phosphinidenium‒Ylide Complex","Organometallics","2013","32","21","6178","","10.1021/om4009586","","x-ray","1.54184","CuKα","","0.0821","0.074","","","0.1827","0.1882","","","","","","1.095","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4085587","12.8898","0.0004","13.7001","0.0004","21.7692","0.0007","90","","90","","90","","3844.3","0.2","100","2","100","2","","","","","","","","5","P b n a","-P 2ac 2b","60","compound 1","","","- C17 H19 Br Cl3 P -","- C17 H19 Br Cl3 P -","- C136 H152 Br8 Cl24 P8 -","8","1","","Schröder, Fabian G.; Sundermeyer, Jörg","Fluorenylidene-Functionalized Lithium Phosphonium Di- and Triylides","Organometallics","2015","34","6","1017","1020","10.1021/om501325h","","","0.71069","MoKα","","0.045","0.0329","","","0.0646","0.068","","","","","","1.095","","","","has coordinates","209803","2020-10-21","18:00:00",""
"4086529","9.308","0.002","34.568","0.01","33.811","0.009","90","","90","","90","","10879","5","100","2","100","2","","","","","","","","4","P b n a","-P 2ac 2b","60","","tris(4-[4-methyl-2,2'-bipyridyl]methyl)cyclotriguaiacylene ether clathrate","","- C64 H64 N6 O7 -","- C64 H64 N6 O7 -","- C512 H512 N48 O56 -","8","1","","Thorp-Greenwood, Flora L.; Pritchard, Victoria E.; Coogan, Michael P.; Hardie, Michaele J.","Tris(rheniumfac-tricarbonyl) Polypyridine Functionalized Cyclotriguaiacylene Ligands with Rich and Varied Emission","Organometallics","2016","35","11","1632","","10.1021/acs.organomet.6b00099","","","1.54184","CuKα","","0.2134","0.1251","","","0.3031","0.3706","","","","","","1.003","","","","has coordinates","194591","2020-10-21","18:00:00",""
"4104186","16.5823","0.0015","17.0572","0.0015","26.097","0.003","90","","90","","90","","7381.5","1.3","173","2","173","2","","","","","","","","6","P b n a","-P 2ac 2b","60","DIPP-nacnac)CaN(DIPP)H-BH3.THF","","","- C36 H60 B Ca N3 O -","- C36 H60 B Ca N3 O -","- C288 H480 B8 Ca8 N24 O8 -","8","1","","Jan Spielmann; Sjoerd Harder","Hydrogen Elimination in Bulky Calcium Amidoborane Complexes: Isolation of a Calcium Borylamide Complex","Journal of the American Chemical Society","2009","131","","5064","5065","10.1021/ja901073c","","","0.71073","MoKα","","0.1012","0.0785","","","0.1813","0.1921","","","","","","1.129","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4105252","10.0179","0.0003","10.8181","0.0003","17.9104","0.0005","90","","90","","90","","1941.03","0.1","203","","","","","","","","","","LOC ETH Zurich","4","P b n a","-P 2ac 2b","60","","","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C48 H88 Cl24 O16 -","8","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0392","0.0336","","","0.1174","0.1248","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108812","10.8158","0.0006","12.6567","0.0007","16.287","0.0011","90","","90","","90","","2229.6","0.2","200","2","200","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C8 H24 Fe4 N6 O4 S4 -","- C8 H24 Fe4 N6 O4 S4 -","- C32 H96 Fe16 N24 O16 S16 -","4","0.5","","Chih-Chin Tsou; Zong-Sian Lin; Tsai-Te Lu; Wen-Feng Liaw","Transformation of Dinitrosyl Iron Complexes [(NO)2Fe(SR)2]- (R = Et, Ph) into [4Fe-4S] Clusters [Fe4S4(SPh)4]2-: Relevance to the Repair of the Nitric Oxide-Modified Ferredoxin [4Fe-4S] Clusters","Journal of the American Chemical Society","2008","130","","17154","17160","10.1021/ja806050x","","","0.71073","MoKα","","0.1016","0.0538","","","0.1218","0.1605","","","","","","1.094","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4111017","11.711","0.0003","17.195","0.0004","21.146","0.0007","90","","90","","90","","4258.2","0.2","293","2","293","2","","","","","","","","6","P b n a","-P 2ac 2b","60","cis-Pd2(C6H4PPh2)(O2CCMe3)2Cl2","","","- C46 H46 Cl2 O4 P2 Pd2 -","- C46 H46 Cl2 O4 P2 Pd2 -","- C184 H184 Cl8 O16 P8 Pd8 -","4","0.5","","F. Albert Cotton; Igor O. Koshevoy; Pascual Lahuerta; Carlos A. Murillo; Mercedes Sanaú; M. Angeles Ubeda; Qinliang Zhao","High Yield Syntheses of Stable, Singly Bonded Pd26+ Compounds","Journal of the American Chemical Society","2006","128","","13674","13675","10.1021/ja0656595","","","0.71073","MoKα","","0.1017","0.044","","","0.085","0.1078","","","","","","1.084","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4302465","14.1337","0.0006","23.2885","0.001","14.0731","0.0006","90","","90","","90","","4632.2","0.3","150","2","150","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","","","- C50 H50 N4 Ni3 O10 -","- C50 H50 N4 Ni3 O10 -","- C200 H200 N16 Ni12 O40 -","4","0.5","","Pampa Mukherjee; Michael G. B. Drew; Carlos J. Gómez-García; Ashutosh Ghosh","The Crucial Role of Polyatomic Anions in Molecular Architecture: Structural And Magnetic Versatility of Five Nickel(II) Complexes Derived from A N,N,O-Donor Schiff Base Ligand","Inorganic Chemistry","2009","48","","5848","5860","10.1021/ic9001863","","","0.71073","MoKα","","0.1666","0.0676","","","0.1161","0.1407","","","","","","0.932","","","","has coordinates","179062","2020-10-21","18:00:00",""
"4319318","8.7129","0.0005","13.1148","0.0012","15.2529","0.0009","90","","90","","90","","1742.9","0.2","293","2","293","2","","","","","","","","4","P b n a","-P 2ac 2b","60","","","","- C15 H13 Eu O11 -","- C15 H9 Eu O11 -","- C60 H36 Eu4 O44 -","4","0.5","","Bert D. Alleyne; Avril R. Williams; Lincoln A. Hall; Andrew J. P. White; David J. Williams","Lanthanide(III) Methylsquarates: Synthesis and X-ray Structures","Inorganic Chemistry","2001","40","","1045","1051","10.1021/ic000989q","","","1.54178","CuKα","","0.0675","0.0468","","0.1051","0.0947","","","","1.136","1.208","1.208","","","","","has coordinates,has disorder","179273","2020-10-21","18:00:00",""
"4323574","10.573","0.002","13.533","0.002","23.196","0.006","90","","90","","90","","3319","1.2","293","2","293","2","","","","","","","","7","P b n a","-P 2ac 2b","60","","","","- C14 H14 Ag F3 N2 O3 S -","- C14 H14 Ag F3 N2 O3 S -","- C112 H112 Ag8 F24 N16 O24 S8 -","8","1","","Lucia Carlucci; Gianfranco Ciani; Dorothea W. v. Gudenberg; Davide M. Proserpio","Self-Assembly of Infinite Double Helical and Tubular Coordination Polymers from Ag(CF3SO3) and 1,3-Bis(4-pyridyl)propane","Inorganic Chemistry","1997","36","","3812","3813","10.1021/ic970803w","","","0.71073","MoKα","","0.1462","0.0565","","0.1406","0.1089","","","","1.007","1.15","1.15","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4327389","7.9647","0.0001","20.4402","","31.0173","0.0003","90","","90","","90","","5049.62","0.08","100","2","100","2","","","","","","","","6","P b n a","-P 2ac 2b","60","Compound X","","","- C23 H21 Fe2 N O7 P2 -","- C23 H21 Fe2 N O7 P2 -","- C184 H168 Fe16 N8 O56 P16 -","8","1","","Pankaj Das; Jean-François Capon; Frédéric Gloaguen; François Y. Pétillon; Philippe Schollhammer; Jean Talarmin; Kenneth W. Muir","Di-Iron Aza Diphosphido Complexes: Mimics for the Active Site of Fe-Only Hydrogenase, and Effects of Changing the Coordinating Atoms of the Bridging Ligand in [Fe2{μ-(ECH2)2NR}(CO)6]","Inorganic Chemistry","2004","43","","8203","8205","10.1021/ic048772+","","","0.71073","MoKα","","0.0419","0.0292","","","0.0679","0.072","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340282","14.616","0.0011","24.349","0.002","24.4841","0.0013","90","","90","","90","","8713.5","1.1","120","2","120","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C38.5 H38.75 Br4 N6.25 Ni2 O7 -","- C38.5 H38.75 Br4 N6.25 Ni2 O7 -","- C308 H310 Br32 N50 Ni16 O56 -","8","1","","Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M; Vicente, Ramón; Corbella, Montserrat; Bermejo, Manuel R.; Sanmartín, Jesús","Self-assembly of a tetranuclear Ni4 cluster with an S = 4 ground state: the first 3d metal cluster bearing a mu4-eta2:eta2-O,O carbonate ligand.","Inorganic chemistry","2006","45","1","255","262","10.1021/ic051194s","","","1.5418","CuKα","","0.0578","0.0495","","","0.1318","0.1403","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342867","19.4111","0.0011","20.991","0.0011","34.2648","0.0016","90","","90","","90","","13961.5","1.3","293","2","293","2","","","","","","","synthesis as described","7","P b n a","-P 2ac 2b","60","","","","- C58 H48 Dy F9 N4 O6 S9 -","- C58 H48 Dy F9 N4 O6 S9 -","- C464 H384 Dy8 F72 N32 O48 S72 -","8","1","","Pointillart, Fabrice; Jung, Julie; Berraud-Pache, Romain; Le Guennic, Boris; Dorcet, Vincent; Golhen, Stéphane; Cador, Olivier; Maury, Olivier; Guyot, Yannick; Decurtins, Silvio; Liu, Shi-Xia; Ouahab, Lahcène","Luminescence and single-molecule magnet behavior in lanthanide complexes involving a tetrathiafulvalene-fused dipyridophenazine ligand.","Inorganic chemistry","2015","54","11","5384","5397","10.1021/acs.inorgchem.5b00441","","x-ray","0.71073","MoKα","","0.1649","0.0962","","","0.2606","0.2985","","","","","","0.904","","","","has coordinates,has disorder","138134","2020-10-21","18:00:00",""
"4507044","9.5162","0.0012","23.3861","0.0017","23.3861","0.0017","90","","90","","90","","5204.5","0.8","295","2","295","2","","","","","","","","4","P b n a","-P 2ac 2b","60","","2-amino-3-methylpyridinium 2,5-dihydroxybenzoate","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C208 H224 N32 O64 -","16","2","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.1881","0.0471","","","0.111","0.1342","","","","","","0.68","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4513212","11.686","","11.971","","14.314","","90","","90","","90","","2002.43","","150","2","150","2","","","","","","","","4","P b n a","-P 2ac 2b","60","","","","- C20 H28 N4 O -","- C20 H28 N4 O -","- C80 H112 N16 O4 -","4","0.5","","Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel","A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers","Crystal Growth & Design","2015","15","7","3201","","10.1021/acs.cgd.5b00276","","","0.71073","MoKα","","0.0927","0.0856","","","0.1893","0.1923","","","","","","1.035","","","","has coordinates","141316","2020-10-21","18:00:00",""
"7003795","7.457","0.005","11.566","0.005","22.002","0.005","90","","90","","90","","1897.6","1.6","153","2","153","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C17 H7 B Br2 F10 N2 -","- C17 H7 B Br2 F10 N2 -","- C68 H28 B4 Br8 F40 N8 -","4","0.5","","Vidovic, Dragoslav; Reeske, Gregor; Findlater, Michael; Cowley, Alan H.","Synthesis and structures of boron dihalides supported by the C6F5-substituted β-diketiminate ligand [HC(CMe)2(NC6F5)2]−","Dalton Transactions","2008","","17","2293","2297","10.1039/b719722e","","","0.71069","MoKα","","0.0826","0.0558","","","0.099","0.1068","","","","","","1.149","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7009049","13.781","0.002","14.764","0.002","16.227","0.003","90","","90","","90","","3301.6","0.9","293","2","293","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","","","- C12 H21 N5 O Sn -","- C12 H21 N5 O Sn -","- C96 H168 N40 O8 Sn8 -","8","1","","Bhandari, Sonali; Frost, Christopher G.; Hague, Catherine E.; Mahon, Mary F.; Molloy, Kieran C.","Synthesis of functionalised (triorganostannyl)tetrazoles: supramolecular structures of n-[2-(triorganostannyl)tetrazol-5-yl]pyridine (n = 2, 3 or 4)†","Journal of the Chemical Society, Dalton Transactions","2000","","5","663","","10.1039/a908380d","","","0.7093","","","0.0797","0.045","","0.1351","0.1097","","","","1.135","1.116","1.116","","","","","has coordinates","179794","2020-10-21","18:00:00",""
"7012672","9.093","0.003","15.381","0.004","30.119","0.009","90","","90","","90","","4212","2","168","2","168","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","","","- C30 H42 Cl6 Hg3 N14 -","- C30 H42 Cl6 Hg3 N14 -","- C120 H168 Cl24 Hg12 N56 -","4","0.5","","Bebout, Deborah C.; Garland, Melissa M.; Murphy, Geoffrey S.; Bowers, Edith V.; Abelt, Christopher J.; Butcher, Raymond J.","Investigation of the mercury(ii) coordination chemistry of tris[(1-methylimidazol-2-yl)methyl]amine by X-ray crystallography and NMRElectronic supplementary information (ESI) available: Cell packing diagrams for 1?3 and NMR figures showing trends in chemical shift as a function of [Hg(ii)]/1 for both Hg(ClO4)2 and HgCl2. See http://www.rsc.org/suppdata/dt/b3/b300001j/","Dalton Transactions","2003","","12","2578","","10.1039/b300001j","","","0.71073","MoKα","","0.0635","0.0319","","","0.0648","0.0923","","","","","","0.953","","","","has coordinates","179830","2020-10-21","18:00:00",""
"7015588","12.284","0.0002","13.229","0.0002","18.391","0.0003","90","","90","","90","","2988.63","0.08","293","2","293","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","","","- C13 H24 F3 N O2 -","- C13 H24 F3 N O2 -","- C104 H192 F24 N8 O16 -","8","1","","Yang, Pei-Pei; Wang, Xiao-Ling; Li, Li-Cun; Liao, Dai-Zheng","Synthesis, structure and magnetic properties of a novel family of heterometallic nonanuclear Na(I)2Mn(III)6Ln(III) (Ln = Eu, Gd, Tb, Dy) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4155","4161","10.1039/c0dt01746a","","","0.71073","MoKα","","0.0911","0.0789","","","0.2211","0.2428","","","","","","1.062","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7016074","16.784","0.0003","16.837","0.0003","26.359","0.0004","90","","90","","90","","7448.8","0.2","150","2","150","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C37 H60 B Ca N3 O -","- C37 H60 B Ca N3 O -","- C296 H480 B8 Ca8 N24 O8 -","8","1","","Hill, Michael S.; Hodgson, Marina; Liptrot, David J.; Mahon, Mary F.","Stoichiometric reactivity of dialkylamine boranes with alkaline earth silylamides.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7783","7790","10.1039/c1dt10171d","","","0.71073","MoKα","","0.1486","0.0793","","","0.1921","0.2466","","","","","","1.019","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7035772","7.135","0.0002","19.239","0.0005","23.251","0.0007","90","","90","","90","","3191.67","0.16","150","2","150","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","","","- C16.5 H15.5 Bi N1.5 O6.5 -","- C15 H12 Bi N O6 -","- C120 H96 Bi8 N8 O48 -","8","1","","Burrows, Andrew D.; Jurcic, Monika; Mahon, Mary F.; Pierrat, Sandrine; Roffe, Gavin W.; Windle, Henry J.; Spencer, John","Bismuth coordination networks containing deferiprone: synthesis, characterisation, stability and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13814","13817","10.1039/c5dt02458g","","","0.71073","MoKα","","0.0785","0.0459","","","0.0956","0.1041","","","","","","1.062","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7050231","7.3118","0.0006","15.2642","0.0012","17.2559","0.0014","90","","90","","90","","1925.9","0.3","93","2","93","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C9 H8 Br N O Se -","- C9 H8 Br N O Se -","- C72 H64 Br8 N8 O8 Se8 -","8","1","","Kumar, Sangit; Kandasamy, Karuppasamy; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of organochalcogens stabilized by intramolecular non-bonded interactions of sterically unhindered 2-phenyl-2-oxazolineElectronic supplementary information (ESI) available: 77Se NMR spectrum of 14, molecular structure of 16 and packing diagram of 15. See http://www.rsc.org/suppdata/nj/b3/b312364b/","New Journal of Chemistry","2004","28","5","640","","10.1039/b312364b","","","0.71073","MoKα","","0.0605","0.0282","","","0.0515","0.0592","","","","","","0.967","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7054059","15.5153","0.0004","25.855","0.0009","26.6761","0.0011","90","","90","","90","","10701.1","0.6","120","2","120","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C69 H86 Fe6 N48 O25 S6 -","- C69 H72 Fe6 N48 O25 S6 -","- C276 H288 Fe24 N192 O100 S24 -","4","0.5","","Abhervé, Alexandre; Clemente-Juan, Juan Modesto; Clemente-León, Miguel; Coronado, Eugenio; Boonmak, Jaursup; Youngme, Sujittra","Tuning the nuclearity of iron(iii) polynuclear clusters by using tetradentate Schiff-base ligands","New Journal of Chemistry","2014","38","5","2105","","10.1039/c3nj01516e","","","0.7107","MoKα","","0.1775","0.0826","","","0.1889","0.2527","","","","","","1.027","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054702","7.4296","0.0005","19.375","0.002","22.676","0.0018","90","","90","","90","","3264.2","0.5","298","2","298","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C144 H128 N16 O16 S8 -","8","1","","Salahifar, Eslam; Nematollahi, Davood","Electrochemical generation of a Michael acceptor: a green method for the synthesis of 4-amino-3-(phenylsulfonyl)diphenylamine derivatives","New J. Chem.","2015","39","5","3852","","10.1039/C5NJ00087D","","","0.71073","MoKα","","0.2351","0.0882","","","0.1063","0.145","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7058890","13.1543","0.0005","24.637","0.0008","42.2769","0.0016","90","","90","","90","","13701.2","0.9","298","2","298.15","","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C70 H79 Cd Cl2 N5 O4 -","- C70 H79 Cd Cl2 N5 O4 -","- C560 H632 Cd8 Cl16 N40 O32 -","8","1","","Yue, Liu-Juan; Liu, Ying-Ying; Xu, Guo-Hai; Ma, Jian-Fang","Calix[4]arene-based polyoxometalate organic‒inorganic hybrid and coordination polymer as heterogeneous catalysts for azide‒alkyne cycloaddition and Knoevenagel condensation reaction","New Journal of Chemistry","2019","43","40","15871","","10.1039/C9NJ03930A","","","0.71073","MoKα","","0.0502","0.0413","","","0.0996","0.1039","","","","","","1.032","","","","has coordinates,has disorder","219351","2020-10-21","18:00:00",""
"7104785","14.214","0.009","14.214","0.009","14.682","0.01","90","","90","","90","","2966","3","203","2","203","2","","","","","","","","4","P b n a","-P 2ac 2b","60","ytterbocene terpyridine","bis-pentamethylcyclopentadienyl ytterbium terpyridine","","- C35 H41 N3 Yb -","- C35 H41 N3 Yb -","- C140 H164 N12 Yb4 -","4","0.5","","Kuehl, Christopher J.; Da Re, Ryan E.; Scott, Brian L.; Morris, David E.; John, Kevin D.","Toward new paradigms in mixed-valency: ytterbocene‒terpyridine charge-transfer complexes","Chemical Communications (Cambridge, United Kingdom)","2003","","18","2336","2337","10.1039/b306484k","","","0.71073","MoKα","","0.0888","0.0795","","","0.1966","0.2036","","","","","","1.201","","","","has coordinates","210435","2020-10-21","18:00:00",""
"7105214","10.2963","0.0013","12.3952","0.0015","18.491","0.002","90","","90","","90","","2359.9","0.5","140","1","140","1","","","","","","","","5","P b n a","-P 2ac 2b","60","","","","- C12 H32 Cl4 O10 Th -","- C12 H32 Cl4 O10 Th -","- C48 H128 Cl16 O40 Th4 -","4","0.5","","Cantat, Thibault; Scott, Brian L.; Kiplinger, Jaqueline L.","Convenient access to the anhydrous thorium tetrachloride complexes ThCl(4)(DME)(2), ThCl(4)(1,4-dioxane)(2) and ThCl(4)(THF)(3.5) using commercially available and inexpensive starting materials.","Chemical communications (Cambridge, England)","2010","46","6","919","921","10.1039/b923558b","","","0.71073","MoKα","","0.0489","0.0318","","","0.0698","0.0756","","","","","","1.204","","","","has coordinates","189272","2020-10-21","18:00:00",""
"7115508","13.5642","0.001","16.8668","0.0013","18.294","0.0014","90","","90","","90","","4185.4","0.5","173","2","173","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","","","- C21 H31 Cl Cr N2 -","- C21 H31 Cl Cr N2 -","- C168 H248 Cl8 Cr8 N16 -","8","1","","Wen Zhou; Brian O. Patrick; Kevin M. Smith","Influence of redox non-innocent phenylenediamido ligands on chromium imido hydrogen-atom abstraction reactivity","Chem.Commun.","2014","50","","9958","","10.1039/C4cc04545A","","","0.71073","MoKα","","0.0656","0.0364","","","0.0814","0.0952","","","","","","1.01","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7203957","8.254","0.0016","11.229","0.0015","20.088","0.002","90","","90","","90","","1861.8","0.5","123","2","123","2","","","","","","","","3","P b n a","-P 2ac 2b","60","","","","- C9 H18 O2 -","- C9 H18 O2 -","- C72 H144 O16 -","8","1","","Johnston, Derek; McCusker, Catherine F.; Muir, Kenneth; Procter, David J.","Samarium(II)-mediated 4-exo-trig cyclisations of unsaturated aldehydes. A stereoselective approach to functionalised cyclobutanols","Journal of the Chemical Society, Perkin Transactions 1","2000","","5","681","","10.1039/a909549g","","","0.71073","MoKα","","0.0977","0.0505","","","0.1181","0.1405","","","","","","1.026","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7205542","12.284","0.0002","13.229","0.0002","18.391","0.0003","90","","90","","90","","2988.63","0.08","293","2","293","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","","","- C13 H24 F3 N O2 -","- C13 H24 F3 N O2 -","- C104 H192 F24 N8 O16 -","8","1","","Belhocine, Tayeb; Forsyth, Stewart A.; Gunaratne, H. Q. Nimal; Nieuwenhuyzen, Mark; Puga, Alberto V.; Seddon, Kenneth R.; Srinivasan, Geetha; Whiston, Keith","New ionic liquids from azepane and 3-methylpiperidine exhibiting wide electrochemical windows","Green Chemistry","2011","13","1","59","","10.1039/c0gc00534g","","","0.71073","MoKα","","0.0911","0.0789","","","0.2211","0.2428","","","","","","1.062","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7207997","19.474","0.001","18.597","0.001","12.222","0.002","90","","90","","90","","4426.3","0.8","110","","110","","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C16 H48 I5 O8 S8 Tb -","- C16 H48 I5 O8 S8 Tb -","- C64 H192 I20 O32 S32 Tb4 -","4","0.5","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.7107","MoKα","","0.1141","0.1006","","0.1739","0.1689","0.1739","","","","","","1.0551","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7214772","6.7123","0.0006","13.9195","0.0017","26.783","0.003","90","","90","","90","","2502.4","0.5","120","2","120","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C24 H22 Cl2 Hg N6 O4 -","- C24 H22 Cl2 Hg N6 O4 -","- C96 H88 Cl8 Hg4 N24 O16 -","4","0.5","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0776","0.0616","","","0.181","0.1904","","","","","","1.12","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7221635","9.6655","0.0003","13.8908","0.0006","16.1834","0.0007","90","","90","","90","","2172.81","0.15","295","2","295","","","","","","","","","4","P b n a","-P 2ac 2b","60","2,2'-disulfanediylbis(4,5,6,7,8,9-hexahydro-1H-cycloocta[b]pyrrole-3-carbonitrile)","2,2'-disulfanediylbis(4,5,6,7,8,9-hexahydro-1H-cycloocta[b]pyrrole-3-carbonitrile)","","- C22 H26 N4 S2 -","- C22 H26 N4 S2 -","- C88 H104 N16 S8 -","4","0.5","","Belikov, Mikhail Yu; Fedoseev, Sergey V.; Ievlev, Mikhail Yu; Ershov, Oleg V.; Tafeenko, Viktor","Interaction of 4-oxoalkane-1,1,2,2-tetracarbonitriles with Lawesson's reagent ‒ a new approach to the synthesis of 2,2'-disulfanediylbis(1H-pyrroles). The synthesis of photochromic diarylethene with disulfide bridge","RSC Adv.","2015","","","","","10.1039/C5RA11304K","","","1.54186","CuKα","","0.1533","0.0405","","","0.0594","0.0768","","","","","","0.969","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7233750","9.007","0.002","9.991","0.003","23.493","0.006","90","","90","","90","","2114.1","1","293","2","293","2","","","","","","","","2","P b n a","-P 2ac 2b","60","","","","- C15 H11 -","- C15 H11 -","- C120 H88 -","8","1","","Hua Wang; Yan Liang; Huanling Xie; Linglong Feng; Haifeng Lu; Shengyu Feng","Emission enhancement and color adjustment of silicon-cored structure in tetraphenyl benzene with aggregation-enhanced emission","Journal of Materials Chemistry C","2014","2","","5601","5606","10.1039/C4TC00570H","","","0.71073","MoKα","","0.0493","0.0384","","","0.0883","0.0964","","","","","","1.059","","","","has coordinates","218138","2020-10-21","18:00:00",""
"9000214","9.404","","9.973","","8.536","","90","","90","","90","","800.558","","","","","","","","","","","","","4","P b n a","-P 2ac 2b","60","","","Kryzhanovskite","- Fe3 H3 O11 P2 -","- Fe3 H3 O11 P2 -","- Fe12 H12 O44 P8 -","4","0.5","","Moore, P. B.","The Fe3(H2O)n(PO4)2 homologous series: Crystal-chemical relationships and oxidized equivalents","American Mineralogist","1971","56","","1","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9009459","9.458","","10.185","","8.543","","90","","90","","90","","822.945","","","","","","","","","","","","","5","P b n a","-P 2ac 2b","60","","","Landesite","- Fe H6 Mn2 O11 P2 -","- Fe H6 Mn2 O11 P2 -","- Fe4 H24 Mn8 O44 P8 -","4","0.5","","Moore, P. B.; Araki, T.; Kampf, A. R.","Nomenclature of the phosphoferrite structure type: refinements of landesite and kryzhanovskite","Mineralogical Magazine","1980","43","","789","795","10.1180/minmag.1980.043.330.14","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009460","9.45","","10.013","","8.179","","90","","90","","90","","773.92","","","","","","","","","","","","co-type sample from Ak-Kezen pegmatite, Belogorskii, Eastern Kazakhstan","5","P b n a","-P 2ac 2b","60","","","Kryzhanovskite","- Fe2 H6 Mn O11 P2 -","- Fe2 H6 Mn O11 P2 -","- Fe8 H24 Mn4 O44 P8 -","4","0.5","","Moore, P. B.; Araki, T.; Kampf, A. R.","Nomenclature of the phosphoferrite structure type: refinements of landesite and kryzhanovskite","Mineralogical Magazine","1980","43","","789","795","10.1180/minmag.1980.043.330.14","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009798","6.4844","","9.8123","","10.6629","","90","","90","","90","","678.447","","","","","","","","","","","","","4","P b n a","-P 2ac 2b","60","","","Hannebachite","- Ca H O3.5 S -","- Ca H O3.5 S -","- Ca8 H8 O28 S8 -","8","1","","Schropfer, L.","Strukturelle untersuchungen an CaSO3*1/2H2O Locality: synthetic","Zeitschrift fur Anorganische und Allgemeine Chemie","1973","401","","1","14","10.1002/zaac.19734010102","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"9013466","9.46","","10.024","","8.67","","90","","90","","90","","822.15","","","","","","","","","","","","Synthetic","4","P b n a","-P 2ac 2b","60","","","Phosphoferrite","- Fe3 H6 O11 P2 -","- Fe3 H6 O11 P2 -","- Fe12 H24 O44 P8 -","4","0.5","","Moore, P. B.; Araki, T.","A mixed-valence solid-solution series: Crystal structures of phosphoferrite, Fe3(H2O)3[PO4]2, and kryzhanovskite, Fe3(OH)3[PO4]2","Inorganic Chemistry","1976","15","","316","321","10.1021/ic50156a015","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013467","9.518","","9.749","","8.031","","90","","90","","90","","745.204","","","","","","","","","","","","Synthetic","4","P b n a","-P 2ac 2b","60","","","Kryzhanovskite","- Fe3 H3 O11 P2 -","- Fe3 H3 O11 P2 -","- Fe12 H12 O44 P8 -","4","0.5","","Moore, P. B.; Araki, T.","A mixed-valence solid-solution series: Crystal structures of phosphoferrite, Fe3(H2O)3[PO4]2, and kryzhanovskite, Fe3(OH)3[PO4]2 Note: this sample was synthesized by heating phosphoferrite in air","Inorganic Chemistry","1976","15","","316","321","10.1021/ic50156a015","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9017049","9.48871","","10.11494","","8.70624","","90","","90","","90","","835.605","","","","","","","","","","","","Cigana mine, Conselheiro Pena, Minas Gerais, Brazil","5","P b n a","-P 2ac 2b","60","","","Correianevesite","- Fe1.32 H6 Mn1.68 O11 P2 -","- Fe5.28 H24 Mn6.72 O44 P8 -","- Fe5.28 H24 Mn6.72 O44 P8 -","","","","Chukanov, N. V.; Scholz, R.; Zubkova, N. V.; Pekov, I. V.; Belakovskiy, D. I.; Van, K. V.; Lagoeiro, L.; Graca, L. M.; Krambrock, K.; de Oliveire, L. C. A.; Menezes, L. A. D.; Chaves, M. L. S. C.; Pushcharovsky, D. Y.","Correianevesite, Fe2+Mn2+2(PO4)2*3H2O, a new reddingite-group mineral from the Cigana mine, Conselheiro Pena, Minas Gerais, Brazil","American Mineralogist","2014","99","","811","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:17",""