# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-28T05:40:21+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 = 19 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
"7123817","5.7715","0.0004","20.005","0.001","14.749","0.001","90","","96.51","0.004","90","","1691.92","0.19","200.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 N2 O4 -","- C14 H28 N2 O4 -","- C56 H112 N8 O16 -","4","1","","Matsumoto, Akikazu; Miyata, Mikiji; Odani, Toru; Sada, Kazuki","One-way EZ-Isomerization of Di(n-butylammonium) (Z,Z)-Muconate under Photoirradiation in the Crystalline State","Chemical Communications","2001","19","","2004","2005","10.1039/B106155K","","","1.5418","CuKα","","","0.0633","","","","0.1715","","","","","","1.925","","","","has coordinates","216933","2020-10-21","18:00:00",""
"7123818","5.5246","0.0008","7.433","0.001","10.865","0.002","98.88","0.01","100.86","0.01","104.38","0.01","414.85","0.12","296.3","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H28 N2 O4 -","- C14 H28 N2 O4 -","- C14 H28 N2 O4 -","1","0.5","","Matsumoto, Akikazu; Miyata, Mikiji; Odani, Toru; Sada, Kazuki","One-way EZ-Isomerization of Di(n-butylammonium) (Z,Z)-Muconate under Photoirradiation in the Crystalline State","Chemical Communications","2001","19","","2004","2005","10.1039/B106155K","","","0.7107","MoKα","","","0.046","","","","0.137","","","","","","1.001","","","","has coordinates","301860","2025-08-22","09:26:35",""
"7123819","9.952","0.005","15.229","0.007","10.059","0.006","90","","92.86","0.01","90","","1522.6","1.4","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H34 F6 P2 Ru -","- C33 H34 F6 P2 Ru -","- C66 H68 F12 P4 Ru2 -","2","1","","Ruba, Eva; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl","Reactivity of a metallacyclopentatriene intermediate: metal-to-ligand-to-metal re-migration of a phosphine ligand versus a 1,2 hydrogen shift","Chemical Communications","2001","19","","1996","1997","10.1039/B104927P","","","0.71073","MoKα","","0.0448","0.0411","","","0.0993","0.1023","","","","","","1.084","","","","has coordinates","216935","2020-10-21","18:00:00",""
"7123820","7.7219","0.0002","5.8443","0.0001","29.0762","0.0007","90","","94.278","0.002","90","","1308.53","0.05","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Bi4 O24 Pb8 V4 -","- Bi4 O24 Pb8 V4 -","- Bi8 O48 Pb16 V8 -","2","1","","Evans, John; Evans, Ivana R.; Howard, Judith A. K.; Withers, Ray L.","Ab initio structure determination of BiPb2VO6 from powder diffraction data","Chemical Communications","2001","19","","1984","1985","10.1039/B105242J","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","216936","2020-10-21","18:00:00",""
"7123833","23.604","0.004","23.604","0.004","10.803","0.006","90","","90","","120","","5213","3","296.2","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C78 H84 O6 -","- C78 H84 O6 -","- C234 H252 O18 -","3","0.166667","","Youichi Hosokawa; Takeshi Kawase; Masaji Oda","8,16,24,32,40,48-Hexamethoxy[2.6]metacyclophane-1,9,17,25,33,41-hexayne: a novel near-planar ammonium selective ionophore","Chemical Communications","2001","19","","1948","1949","10.1039/B104325K","","","0.7107","MoKα","","","0.0603","","","","0.1352","","","","","","1.01","","","","has coordinates","301860","2025-08-22","09:26:35",""