# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-28T05:40:20+02:00
# 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 'Chemical Communications') AND volume = 20 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
"7123809","19.207","0.0002","18.317","0.0002","27.265","0.0005","90","","90","","90","","9592.2","0.2","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H75 N O4 Ti -","- C51 H75 N O4 Ti -","- C408 H600 N8 O32 Ti8 -","8","1","","Edit Y. Tshuva; Israel Goldberg; Moshe Kol; Zeev Goldschmidt","Living polymerization and block copolymerization of alpha-olefins by an amine bis(phenolate) titanium catalyst","Chemical Communications","2001","20","","2120","2121","10.1039/B105492A","","","0.7107","MoKα","","0.1107","0.0546","","","0.1039","0.1284","","","","","","1.052","","","","has coordinates,has disorder","216924","2020-10-21","18:00:00",""
"7123810","10.121","0.006","14.415","0.003","15.282","0.003","68.66","0.03","72.98","0.05","79.06","0.05","1977","1.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H96 F6 Li4 N12 O7 -","- C76 H96 F6 Li4 N12 O7 -","- C76 H96 F6 Li4 N12 O7 -","1","0.5","","Frederic Rivals; Alexander Steiner","Triprotic 2,4,6-tris-organoamino-1,3,5-triazenes as precursor to multi-site triazenate ligands","Chemical Communications","2001","20","","2104","2105","10.1039/B105435J","","","0.71073","MoKα","","0.163","0.0947","","","0.2013","0.2311","","","","","","0.909","","","","has coordinates,has disorder","216925","2020-10-21","18:00:00",""
"7123811","13.099","0.003","15.446","0.003","17.687","0.004","73.04","0.03","79.94","0.03","80.84","0.03","3348","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H63 Mn2 N5 O18 P2 -","- C70 Mn2 N5 O18 P2 -","- C140 Mn4 N10 O36 P4 -","2","1","","Blay, Gonzalo; Fernandez, Isabel; Gimenez, Tomas; Lloret, F.; Munoz, M. C.; Pardo, Emilio; Pedro, Jose R.; Ruiz, Rafael","Alkane oxidation by a carboxylate-bridged dimanganese(III) complex","Chemical Communications","2001","20","","2102","2103","10.1039/B105132F","","","0.71073","MoKα","","0.144","0.0923","","","0.2511","0.3134","","","","","","0.939","","","","has coordinates","298328","2025-03-07","16:31:39",""
"7123812","12.246","0.002","16.83","0.002","20.7758","0.0011","79.555","0.003","85.597","0.003","86.0042","0.001","4191.7","0.9","150.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C43.5 H41.5 F9 N O3 P S -","- C43.5 H41.5 F9 N O3 P S -","- C174 H166 F36 N4 O12 P4 S4 -","4","2","","Naokazu Kano; Azusa Kikuchi; Takayuki Kawashima","The First Isolable Pentacoordinate 1,2lambda5-Azaphosphetine: Synthesis, X-ray crystallographic Analysis, and Dynamic Behaviour","Chemical Communications","2001","20","","2096","2097","10.1039/B106501G","","","0.7107","MoKα","","","0.041","","","","0.043","","","","","","1.477","","","","has coordinates","301860","2025-08-22","09:26:35",""
"7123813","6.374","0.002","8.621","0.003","20.89","0.007","90","","90","","90","","1147.9","0.7","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N5 O -","- C12 H13 N5 O -","- C48 H52 N20 O4 -","4","1","","Abell, Andrew D.; May, Barnaby C. H.","The synthesis and solid state structure of (8S)-8-benzyl-8,9-dihydro-7H-tetrazolo[1,5-d][1,4] diazepin-6-one","Chemical Communications","2001","20","","2080","2081","10.1039/B106175P","","","0.71073","MoKα","","0.0374","0.0323","","","0.0827","0.0853","","","","","","1.036","","","","has coordinates","301860","2025-08-22","09:26:35",""
"7123814","11.7233","0.0002","9.8814","0.0002","12.7702","0.0002","90","","93.481","0.0011","90","","1476.6","0.05","115","","115","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Li2 N2 Si4 -","- C24 H44 Li2 N2 Si4 -","- C48 H88 Li4 N4 Si8 -","2","0.5","","Scherer, W.; Sirsch, P.; Grosche, M.; Spiegler, M.; Mason, S. A.; Gardiner, M.G.","Agostic Deformations based on Electron Delocalization in the Alkyllithium-complex [{2-(Me3Si)2CLiC5H4N}2]","Chemical Communications","2001","20","","2072","2073","10.1039/B105452J","","","0.71073","MoKα","","0.0817","0.025","","","0.0314","","0.0265","","","","","1.062","","","","has coordinates","216930","2020-10-21","18:00:00",""
"7123815","11.722","0.0013","9.864","0.0012","12.7517","0.0015","90","","93.479","0.004","90","","1471.7","0.3","100","1","100","1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Li2 N2 Si4 -","- C24 H44 Li2 N2 Si4 -","- C48 H88 Li4 N4 Si8 -","2","0.5","","Scherer, W.; Sirsch, P.; Grosche, M.; Spiegler, M.; Mason, S. A.; Gardiner, M.G.","Agostic Deformations based on Electron Delocalization in the Alkyllithium-complex [{2-(Me3Si)2CLiC5H4N}2]","Chemical Communications","2001","20","","2072","2073","10.1039/B105452J","","","0.82306","neutron","","0.0519","0.033","","","0.067","0.0776","","","","","","1.083","","","","has coordinates","216931","2020-10-21","18:00:00",""
"7123816","11.6982","0.0005","9.8218","0.0005","12.6895","0.0006","90","","93.5114","0.0019","90","","1455.25","0.12","20","1","20","1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Li2 N2 Si4 -","- C24 H44 Li2 N2 Si4 -","- C48 H88 Li4 N4 Si8 -","2","0.5","","Scherer, W.; Sirsch, P.; Grosche, M.; Spiegler, M.; Mason, S. A.; Gardiner, M.G.","Agostic Deformations based on Electron Delocalization in the Alkyllithium-complex [{2-(Me3Si)2CLiC5H4N}2]","Chemical Communications","2001","20","","2072","2073","10.1039/B105452J","","","0.9507","neutron","","0.0425","0.0311","","","0.0652","0.0687","","","","","","1.098","","","","has coordinates","216932","2020-10-21","18:00:00",""