# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-29T06:38:57+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 = 2001 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
"7118236","17.234","","15.87","","18.335","","90","","103.071","","90","","4884.76","","","","","","","","","","","","","6","I 1 a 1","I -2ya","9","","(Mn ((H2 N C) (N H) (N H C) (N H) (N H2))3)2 (S O4) (N O3)6 (H2 O)5","","- C12 H30 Mn2 N36 O27 S -","- C12 H30 Mn2 N36 O27 S -","- C48 H120 Mn8 N144 O108 S4 -","4","1","","Das, G.; Bharadwaj, P.K.; Ghosh, D.; Chaudhuri, B.; Banerjee, R.","Synthesis and structure of the (Mn(IV) (biguanide)3)(4+) ion: the simplest source for water-stable manganese(IV)","Chemical Communications","2001","2001","","323","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118237","7.7219","","5.8443","","29.0762","","90","","94.278","","90","","1308.53","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Bi Pb2 V O6","","- Bi O6 Pb2 V -","- Bi O6 Pb2 V -","- Bi8 O48 Pb16 V8 -","8","4","","Radosavljevic Evans, I.; Howard, J.A.K.; Withers, R.L.; Evans, J.S.O.","Ab initio structure determination of Bi Pb2 V O6 from powder diffraction data","Chemical Communications","2001","2001","","1984","1985","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118239","10.0899","","10.0899","","41.462","","90","","90","","120","","3655.57","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ba9 (Rh8 O24)","","- Ba9 O24 Rh8 -","- Ba9 O24 Rh8 -","- Ba54 O144 Rh48 -","6","0.166667","","Stitzer, K.E.; Smith, M.D.; zur Loye, H.C.; Darriet, J.","Crystal growth, structure determination, and magnetism of a new hexagonal rhodate: Ba9 Rh8 O24","Chemical Communications","2001","2001","","1680","1681","","","","","","","","","","","","","","","","","","","","","","has coordinates","173214","2020-10-21","18:00:00",""