# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T14:32:03+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 'Journal of Chemical Crystallography') AND volume = 29 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
"1101093","9.7368","0.0008","12.3461","0.0011","17.1837","0.0014","78.372","0.006","74.585","0.006","71.113","0.005","1869","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 Co N12 O8 -","- C34 H42 Co N12 O8 -","- C68 H84 Co2 N24 O16 -","2","1","","Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","A cobalt(II) complex with the N,N,O-tridentate ligand 6-amino-5-formyl-1,3-dimethyluracilato-benzoyl-hydrazone","Journal of Chemical Crystallography","1999","29","","283","286","10.1023/A:1009565600126","","","","","","","0.0446","","","0.114","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101105","7.152","0.001","8.83","0.001","13.783","0.001","82.024","0.001","86.155","0.001","70.9","0.001","814.3","0.2","293","","","","","","","","","","","5","P 1","P 1","1","","","","- C20 H42 N8 Ni O22 -","- C20 H42 N8 Ni O22 -","- C20 H42 N8 Ni O22 -","1","1","","Francisca Barrios; Juan M. Salas; M. Purificación Sánchez; Miguel Quirós; René Faure","X-ray crystal structure of tetraaquabis(xanthosinato) nickel(II) hexahydrate","Journal of Chemical Crystallography","1999","29","","1009","1013","10.1023/A:1009568616134","","","","","","","0.0309","","","0.0808","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101107","8.749","0.001","14.213","0.001","21.2","0.002","90","","90","","90","","2636.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Cl2 Cu N8 O15 -","- C16 H22 Cl2 Cu N8 O15 -","- C64 H88 Cl8 Cu4 N32 O60 -","4","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Crystal structure of the Λ-[4M] enantiomer of cis-diaqua-bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-N^5^,O^4^) copper(II) perchlorate monohydrate","Journal of Chemical Crystallography","1999","29","5","571","574","10.1023/A:1009548803103","","","","","","","0.0471","","","0.1263","","","","","","","","","","","has coordinates","174895","2020-10-21","18:00:00",""
"1520819","15.113","","12.006","","15.892","","90","","122.85","","90","","2422.45","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Li6 (P6 O18) (H2 O)9.86","","- H19.72 Li6 O27.86 P6 -","- Li6 O27.86 P6 -","- Li24 O111.44 P24 -","4","0.5","","Chaabane, T. Ben; Smiri-Dogguy, L.","Synthesis and crystal structure of a new lithium cyclohexaphosphate hydrate: Li~6~P~6~O~18~ * 10(H~2~O)","Journal of Chemical Crystallography","1999","29","3","323","327","10.1023/A:1009577902852","","","","","","","","","","","","","","","","","","","","","has coordinates","174902","2020-10-21","18:00:00",""
"1521099","5.6","","5.98","","5.998","","90","","90","","90","","200.861","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","","","- Ag N3 -","- Ag N3 -","- Ag4 N12 -","4","0.25","","Guo, G.-C.; Wang, Q.-M.; Mak, T. C. W.","Structure refinement and Raman spectrum of silver azide","Journal of Chemical Crystallography","1999","29","5","561","564","10.1023/A:1009544702195","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521969","13.987","","10.241","","18.151","","90","","110.94","","90","","2428.25","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Rb2 (Fe (C N)5 N O) (H2 O)","","- C5 H2 Fe N6 O2 Rb2 -","- C5 H2 Fe N6 O2 Rb2 -","- C40 H16 Fe8 N48 O16 Rb16 -","8","1","","Soria, D. B.; Piro, O. E.; Castellano, E. E.; Aymonino, P. J.","Crystal and molecular structure determination, TGA, DTA, and infrared and Raman spectra of rubidium nitroprusside monohydrate, Rb~2~[Fe(CN)~5~NO] . (H~2~O)","Journal of Chemical Crystallography","1999","29","1","75","80","10.1023/A:1009575415668","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"6000268","8.822","","9.236","","8.451","","67.19","","91.32","","111.1","","586.72","","","","","","","","","","","","","6","P -1","","","","","","- C3 H14 N O10 P3 Zn2 -","","","","","","Hajem, A. A.; Trojette, B.; Driss, A.; Jouini, T.","Synthesis and structure determination of a new layered zincophosphate: [H~2~N~2~C~6~H~16~](0.5)[Zn~2~(PO~4~)(HPO~4~)(H~2~O)].H~2~O","Journal of Chemical Crystallography","1999","29","2","217","221","10.1023/A:1009582429917","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""