# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-20T02:45:54+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of the Chemical Society, Chemical Communications') 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
"1100302","22.736","0.005","6.809","0.001","25.373","0.01","90","","107.86","0.02","90","","3738.69","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 Cr O5 -","- C19 H22 Cr O5 -","- C152 H176 Cr8 O40 -","8","1","","Dötz, Karl Heinz; Erben, Hans-Georg; Harms, Klaus","Aminocarbene annulation by alkynes: a regio- and diastereo-selective route to indanone complexes","Journal of the Chemical Society, Chemical Communications","1989","","11","692","693","10.1039/c39890000692","","","","","","","","","","","","","","","","","","","","","has coordinates","177999","2020-10-21","18:00:00",""
"1100322","15.462","0.005","6.78","0.001","19.762","0.005","90","","101.84","0.02","90","","2027.62","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cr O6 P -","- C19 H21 Cr O6 P -","- C76 H84 Cr4 O24 P4 -","4","1","","Dötz, Karl Heinz; Tiriliomis, Athanassios; Harms, Klaus","Synthesis of 1,3-oxaphospholes via chromium mediated cyclization of carbenes, carbon monoxide, and phospha-alkynes","Journal of the Chemical Society, Chemical Communications","1989","","12","788","790","10.1039/c39890000788","","","","","","","","","","","","","","","","","","","","","has coordinates","177998","2020-10-21","18:00:00",""
"1100365","14.715","0.001","15.43","0.001","15.029","0.001","90","","90","","90","","3412.37","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H29 N3 O4 -","- C14 H29 N6 O4 -","- C112 H232 N48 O32 -","8","1","","Reetz, Manfred T.; Bingel, Carsten; Harms, Klaus","Structure of carbanions having carbocations as counterions","Journal of the Chemical Society, Chemical Communications","1993","","20","1558","1560","10.1039/c39930001558","","","","","","","","","","","","","","","","","","","","","has coordinates","177464","2020-10-21","18:00:00",""
"1100373","9.29","0.002","19.368","0.004","17.159","0.003","90","","99.63","0.02","90","","3043.89","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H40 Br2 Mg O4 -","- C30 H40 Br2 Mg O4 -","- C120 H160 Br8 Mg4 O16 -","4","1","","Boche, Gernot; Harms, Klaus; Marsch, Michael; Müller, Achim","9-Bromo-9-[(bromomagnesium)methylene]fluorene–tetrahydrofuran (1/4) structure of a MgBr/Br carbenoid","Journal of the Chemical Society, Chemical Communications","1994","","11","1393","1394","10.1039/c39940001393","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"5000125","8.821","0.003","10.133","0.004","11.065","0.004","87.1","0.03","84.24","0.03","69.76","0.03","923.14","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H54 Cl4 N6 O8 Pt2 -","- C32 Cl4 N6 O14 Pt2 -","- C32 Cl4 N6 O14 Pt2 -","1","0.5","","Alston, David R.; Stoddart, J. Fraser; Williams, David J.","The isolation and X-ray crystal structure of an adduct formed between 18-crown-6 and cisplatin","Journal of the Chemical Society, Chemical Communications","1985","","9","532","533","10.1039/C39850000532","","","","","","","","","","","","","","","","","","","","","has coordinates","175385","2020-10-21","18:00:00",""
"5000244","15.909","0.006","13.15","0.006","12.754","0.005","90","","101.13","0.02","90","","2618","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C48 H64 N8 O6 S2 -","- C92 N16 O12 S4 -","- C184 N32 O24 S8 -","2","0.5","","Ishida, Toshimasa; Inoue, Masatoshi; Hamada, Yasumasa; Kato, Shinji; Shioiri, Takayuki","X-Ray crystal structure of ascidiacyclamide, a cytotoxic cyclic peptide from ascidian","Journal of the Chemical Society, Chemical Communications","1987","","5","370","371","10.1039/C39870000370","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000309","13.302","0.004","13.265","0.004","15.905","0.005","87.51","0.01","96.65","0.01","86.66","0.01","2779.3","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H55 Cl5 N4 O20 V4 -","- C43 H55 Cl5 N4 O20 V4 -","- C86 H110 Cl10 N8 O40 V8 -","2","1","","Castro, Stephanie L.; Sun, Ziming; Bollinger, John C.; Hendrickson, David N.; Christou, George","Tetranuclear vanadium(III) carboxylate chemistry, and a new example of a metal butterfly complex exhibiting spin frustration: structure and properties of [V~4~O~2~(O~2~CEt)~7~(bpy)~2~](ClO~4~)","Journal of the Chemical Society, Chemical Communications","1995","","24","2517","2548","10.1039/C39950002517","","","0.71073","MoKα","","0.0905","0.0716","","0.1719","0.1649","","","","1.858","2.059","2.059","","","","","has coordinates","301844","2025-08-21","10:11:31",""
"7120393","16.8156","0.0005","6.0608","0.0001","3.6696","0.0001","90","","90","","90","","373.991","0.016","","","293","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C2 H4 N2 O2 -","- C2 N2 O2 -","- C8 N8 O8 -","4","1","","Philip Lightfoot; Maryjane Tremayne; Kenneth D. M. Harris; Peter G. Bruce","Determination of a molecular crystal structure by X-ray powder diffraction on a conventional laboratory instrument","Journal of the Chemical Society, Chemical Communications","1992","","14","1012","1013","10.1039/C39920001012","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","198534","2020-10-21","18:00:00",""
"9012845","9.21048","","12.23794","","3.0062","","90","","90","","90","","338.851","","","","","","","","","","","","Synthetic","4","P b a m","-P 2 2ab","55","","","Bonaccordite","- B Fe Ni2 O5 -","- B Fe0.9995 Ni2.0005 O5 -","- B4 Fe3.998 Ni8.002 O20 -","4","0.5","","Perkins, D. A.; Attfield, J. P.","Resonant powder X-ray determination of the cation distribution in FeNi2BO5","Journal of the Chemical Society, Chemical Communications","1991","1991","4","229","231","10.1039/C39910000229","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""