# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T08:12:15+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 = 16 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
"1101138","8.746","0.0008","13.874","0.001","10.678","0.001","90","","92.64","0.01","90","","1294.4","0.7","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cu N10 O14 -","- C16 H24 Cu N10 O14 -","- C32 H48 Cu2 N20 O28 -","2","0.5","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","A new three-dimensional, hydrogen-bonded metal-pteridine complex: synthesis, characterization and crystal structure of diaqua bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-O^4^,N^5^) copper(II) nitrate dihydrate","Polyhedron","1997","16","","607","612","10.1016/0277-5387(96)00318-X","","","","","","","0.047","","","0.088","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509262","20.537","0.007","8.653","0.003","18.846","0.006","90","","106.68","0.02","90","","3208.1","1.9","298","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Hg N8 O6 S4 -","- C24 H30 Hg N8 O6 S4 -","- C96 H120 Hg4 N32 O24 S16 -","4","0.5","","Angel García-Raso; Juan J. Fiol; G. Martorell; Adela López-Zafra; Miguel Quirós","Metallation of 2-sulfanilamidopyrimidine (sulfadiazine). X-ray diffraction structure and solution behaviour of bis(sulfadiazinato) mercury(II) bis(dimethylsulfoxide)","Polyhedron","1997","16","","613","621","10.1016/0277-5387(96)00317-8","","","0.71073","MoKα","","0.0527","0.0418","","","","0.0542","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1523956","19.865","","11.469","","9.94","","90","","109.02","","90","","2141.01","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Ba8 Cu2 O54 Ti22","","- Ba6 Cu1.328 O49 Ti16.176 -","- Ba6 Cu1.328 O49 Ti16.176 -","- Ba12 Cu2.656 O98 Ti32.352 -","2","0.25","","Adams, R.D.; Layland, R.C.","A barium coppper titanate. The synthesis and structural characterization of Ba8 Cu2 Ti22 O54","Polyhedron","1997","16","","2105","2108","","","","","","","","","","","","","","","","","","","","","","has coordinates","144586","2020-10-21","18:00:00",""
"1539670","11.745","","14.96","","10.831","","95.67","","116.19","","98.19","","1662.03","","","","","","","","","","","","","4","P -1","-P 1","2","","Nb2 (Se2)2 (Te I3)4","","- I12 Nb2 Se4 Te4 -","- I12 Nb2 Se4 Te4 -","- I24 Nb4 Se8 Te8 -","2","1","","Fedin, V.P.; Fedorov, V.E.; Imoto, H.; Daito, T.","Synthesis and structure of Nb2 (mue-Se2)2 (Te2 I6)2","Polyhedron","1997","16","","995","998","","","","","","","","","","","","","","","","","","","","","","has coordinates","168655","2020-10-21","18:00:00",""
"1541035","7.685","","7.376","","10.468","","90","","104.16","","90","","575.345","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Zn (H2 P O2)2 (H2 O)","","- H6 O5 P2 Zn -","- H6 O5 P2 Zn -","- H24 O20 P8 Zn4 -","4","1","","Tanner, P.A.; Mak, T.C.W.; Liu, Y.-L.","Synthesis, crystal structure and vibrational spectra of zinc hypophosphites","Polyhedron","1997","16","","495","505","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""