# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-05T02:54:35+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 'Polyhedron') AND volume = 33 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
"1509250","12.2871","0.0008","13.2034","0.0008","14.452","0.0009","90","","101.121","0.001","90","","2300.5","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl4 Cu2 N20 O16 -","- C34 H26 Cl4 Cu2 N20 O16 -","- C68 H52 Cl8 Cu4 N40 O32 -","2","0.5","","Ana B. Caballero; Clotilde Marín; Inmaculada Ramírez-Macías; Antonio Rodríquez-Diéguez; Miguel Quirós; Juan M. Salas; Manuel Sanchéz-Moreno","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Polyhedron","2012","33","","137","144","10.1016/j.poly.2011.11.020","","","0.71073","MoKα","","0.0539","0.0462","","","0.1331","0.1395","","","","","","1.058","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00",""
"1509251","11.287","0.005","11.326","0.005","13.021","0.005","72.606","0.005","81.428","0.005","62.597","0.005","1410.1","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Cd Cl2 N12 O9 -","- C21 H18 Cd Cl2 N12 O9 -","- C42 H36 Cd2 Cl4 N24 O18 -","2","1","","Ana B. Caballero; Clotilde Marín; Inmaculada Ramírez-Macías; Antonio Rodríquez-Diéguez; Miguel Quirós; Juan M. Salas; Manuel Sanchéz-Moreno","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Polyhedron","2012","33","","137","144","10.1016/j.poly.2011.11.020","","","0.71069","MoKα","","0.0369","0.0353","","","0.1011","0.1028","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509252","12.2331","0.0007","18.6877","0.0011","14.1421","0.0008","90","","99.015","0.001","90","","3193.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl2 Cu N12 O11 -","- C22 H28 Cl2 Cu N12 O11 -","- C88 H112 Cl8 Cu4 N48 O44 -","4","1","","Ana B. Caballero; Clotilde Marín; Inmaculada Ramírez-Macías; Antonio Rodríquez-Diéguez; Miguel Quirós; Juan M. Salas; Manuel Sanchéz-Moreno","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Polyhedron","2012","33","","137","144","10.1016/j.poly.2011.11.020","","","0.71073","MoKα","","0.0499","0.0384","","","0.109","0.1153","","","","","","1.029","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00",""
"1509253","15.3067","0.0011","17.7804","0.0012","22.6353","0.0016","90","","90","","90","","6160.4","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H48 Cd2 Cl4 N24 O18 -","- C44 H48 Cd2 Cl4 N24 O18 -","- C176 H192 Cd8 Cl16 N96 O72 -","4","1","","Ana B. Caballero; Clotilde Marín; Inmaculada Ramírez-Macías; Antonio Rodríquez-Diéguez; Miguel Quirós; Juan M. Salas; Manuel Sanchéz-Moreno","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Polyhedron","2012","33","","137","144","10.1016/j.poly.2011.11.020","","","0.71073","MoKα","","0.0468","0.0431","","","0.114","0.1171","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509254","10.749","0.005","12.668","0.005","13.623","0.005","68.88","0.005","69.73","0.005","66.269","0.005","1539.4","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Cl4 N34 O20 Zn2 -","- C38 H44 Cl4 N34 O20 Zn2 -","- C38 H44 Cl4 N34 O20 Zn2 -","1","0.5","","Ana B. Caballero; Clotilde Marín; Inmaculada Ramírez-Macías; Antonio Rodríquez-Diéguez; Miguel Quirós; Juan M. Salas; Manuel Sanchéz-Moreno","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Polyhedron","2012","33","","137","144","10.1016/j.poly.2011.11.020","","","0.71069","MoKα","","0.0543","0.0499","","","0.1555","0.161","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""