# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-03T16:27:32+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 'Chemistry - A European Journal') AND volume = 13 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
"1528801","8.808","","7.2136","","9.6203","","90","","97.693","","90","","605.747","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Mn (H C O O)2 (H2 O)2)","","- C2 H6 Mn O6 -","- C2 H6 Mn O6 -","- C8 H24 Mn4 O24 -","4","1","","Poulsen, R.D.; Overgaard, J.; Jorgensen, M.R.V.; Iversen, B.B.; Morgenroth, W.; Larsen, F.K.; Graber, T.; Chen Yusheng","Synchrotron x-ray charge-density study of coordination polymer [Mn (H C O O)2 (H2 O)2](infinite)","Chemistry - A European Journal","2007","13","","9775","9790","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1560296","12.191","0.002","5.344","0.0009","13.545","0.002","90","","112.401","0.003","90","","815.8","0.2","293","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","alpha-N,N''-diacetylbiuret","alpha-1,5-diacetyl biuret","","- C6 H9 N3 O4 -","- C6 H9 N3 O4 -","- C24 H36 N12 O16 -","4","1","","Macholl, Sven; Lentz, Dieter; Börner, Frank; Buntkowsky, Gerd","Polymorphism ofN,N′′-Diacetylbiuret Studied by Solid-State13C and15N NMR Spectroscopy, DFT Calculations, and X-ray Diffraction","Chemistry - A European Journal","2007","13","21","6139","6149","10.1002/chem.200601843","","","0.71073","MoKα","","0.069","0.0586","","","0.1626","0.1779","","","","","","1.028","","","","has coordinates","261835","2021-02-07","10:51:49",""
"1560297","4.4215","0.0012","20.224","0.006","9.3","0.003","90","","93.496","0.006","90","","830.1","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-N,N''-diacetylbiuret","beta-1,5-diacteyl biuret","","- C6 H9 N3 O4 -","- C6 H9 N3 O4 -","- C24 H36 N12 O16 -","4","1","","Macholl, Sven; Lentz, Dieter; Börner, Frank; Buntkowsky, Gerd","Polymorphism ofN,N′′-Diacetylbiuret Studied by Solid-State13C and15N NMR Spectroscopy, DFT Calculations, and X-ray Diffraction","Chemistry - A European Journal","2007","13","21","6139","6149","10.1002/chem.200601843","","","0.71073","MoKα","","0.0754","0.0448","","","0.0963","0.1085","","","","","","1.049","","","","has coordinates","261836","2021-02-07","10:52:48",""