# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T03:07:03+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 Crystallographic and Spectroscopic Research') 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
"1501469","11.432","0.003","6.927","0.002","21.289","0.008","90","","106.54","0.04","90","","1616.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cu N4 O10 -","- C11 H16 Cu N4 O10 -","- C44 H64 Cu4 N16 O40 -","4","1","","Carmen Enrique; Miguel Quirós; Juan M. Salas; Antonio García; José Daniel Martín","5(2'Carboxy)phenylazo barbiturate diaqua copper(II) trihydrate: Characterization and crystal structure","Journal of Crystallographic and Spectroscopic Research","1993","23","","407","410","10.1007/BF01159143","","","1.54184","CuKα","","0.0418","0.0416","","","0.1177","0.1181","","","","","","1.049","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00",""
"1510092","8.619","","6.35","","12.169","","90","","95.72","","90","","662.701","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K (Au Cl4)","","- Au Cl4 K -","- Au Cl4 K -","- Au4 Cl16 K4 -","4","1","","Bembenek, E.; Jones, P.G.","Low-temperature redetermination of the structures of three gold compounds","Journal of Crystallographic and Spectroscopic Research","1992","22","","397","401","10.1007/BF01195399","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510094","7.237","","14.52","","6.091","","90","","95.99","","90","","636.555","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(P Cl3) (Au Cl)","","- Au Cl4 P -","- Au Cl4 P -","- Au4 Cl16 P4 -","4","1","","Bembenek, E.; Jones, P.G.","Low-temperature redetermination of the structures of three gold compounds","Journal of Crystallographic and Spectroscopic Research","1992","22","","397","401","10.1007/BF01195399","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1529843","7.904","","7.904","","8.261","","90","","90","","120","","446.948","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cs (Sb F6)","","- Cs F6 Sb -","- Cs F6 Sb -","- Cs3 F18 Sb3 -","3","0.166667","","de Steyn, M.M.V.; English, R.B.; Heyns, A.M.","X-ray and Raman studies of single crystals of Cs Sb F6","Journal of Crystallographic and Spectroscopic Research","1984","14","","505","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529911","8.228","","8.228","","8.228","","90","","90","","90","","557.035","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cs (P F6)","","- Cs F6 P -","- Cs F6.012 P -","- Cs4 F24.048 P4 -","4","0.0208333","","English, R.B.; Heyns, A.M.","An infrared, Raman, and single-crystal X-ray study of cesium hexafluorophosphate","Journal of Crystallographic and Spectroscopic Research","1984","14","","531","540","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530053","10.147","","5.909","","4.692","","90","","90","","90","","281.326","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li Mg P O4","","- Li Mg O4 P -","- Li Mg O4 P -","- Li4 Mg4 O16 P4 -","4","0.5","","Hanic, F.; Handlovic, M.; Burdova, K.; Majling, J.","Crystal structure of lithium magnesium phosphate, Li Mg P O4: crystal chemistry of the olivine-type compounds","Journal of Crystallographic and Spectroscopic Research","1982","12","","99","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541034","7.467","","13.394","","19.904","","90","","90","","90","","1990.66","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","U (H2 P O2)4","","- H8 O8 P4 U -","- O8 P4 U -","- O64 P32 U8 -","8","1","","Tanner, P.A.; Sze, T.; Mak, T.C.W.; Yip, W.","Synthesis, crystal structure and vibrational spectra of uranium(IV)hypophosphite","Journal of Crystallographic and Spectroscopic Research","1992","22","","25","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541157","5.67","","10.984","","10.601","","90","","93.88","","90","","658.709","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(N2 H6)3 (Zr2 F13) F","","- F14 H18 N6 Zr2 -","- F14 H18 N6 Zr2 -","- F28 H36 N12 Zr4 -","2","1","","Rahten, A.; Leban, I.; Zemva, B.; Milicev, S.","Crystal structure and vibrational spectra of hydrazinium (2+) tri-mue-fluoro bis(pentafluorozirconate (IV)) fluoride and vibrational spectra of its hafnium analogue","Journal of Crystallographic and Spectroscopic Research","1990","20","","9","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9009977","4.93","","6.772","","5.859","","90","","96.07","","90","","194.512","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","Schultenite","- As H O4 Pb -","- As H O4 Pb -","- As2 H2 O8 Pb2 -","2","0.5","","Wilson, C. C.; Cox, P. J.; Stewart, N. S.","Structure and disorder in schultenite, lead hydrogen arsenate","Journal of Crystallographic and Spectroscopic Research","1991","21","","589","593","10.1007/BF01161081","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9012715","6.087","","13.813","","5.597","","90","","90","","90","","470.594","","","","","","","","","","","","Kalabi, Jadotville, Katanga","4","P 21 21 21","P 2ac 2ab","19","","","Garhardtite","- Cu2 H3 N O6 -","- Cu2 H3 N O6 -","- Cu8 H12 N4 O24 -","4","1","","Bovio, B.; Locchi, S.","Crystal structure of the orthorhombic basic copper nitrate, Cu2(OH)3NO3","Journal of Crystallographic and Spectroscopic Research","1982","12","","507","517","10.1007/BF01160904","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""