# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T02:40:13+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 'Crystal Structure Communications') AND volume = 2 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
"1007040","12.881","0.005","12.771","0.005","12.424","0.005","90","","91.34","0.05","90","","2043.2","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Holmium phyllo-14-oxopentaphosphate","","- Ho O14 P5 -","- Ho O14 P5 -","- Ho8 O112 P40 -","8","1","","Bagieu, M; Tordjman, I; Durif, A; Bassi, G","Holmium ultraphosphate, Ho P~5~ O~14~","Crystal Structure Communications","1973","2","","387","390","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007056","12.228","0.005","12.228","0.005","5.451","0.003","90","","90","","120","","705.9","","","","","","","","","","","","","4","P -3","-P 3","147","","CADMIUM CYCLO-TRIPHOSPHATE 14-HYDRATE","","- Cd3 H28 O32 P6 -","- Cd3 H16.667 O25.333 P6 -","- Cd3 H16.667 O25.333 P6 -","1","0.166667","","Averbuch-Pouchot, M T; Durif, A; Tordjman, I","Cadmium trimetaphosphate tetradecahydrate, Cd~3~ (P~3~ O~9~)~2~ (H~2~ O)~14~","Crystal Structure Communications","1973","2","","89","90","","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1525712","13.7","","10.79","","11.91","","90","","110.8","","90","","1645.83","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","U O2 (S O4) (H2 O)3.5","","- H7 O9.5 S U -","- O9.5 S U -","- O76 S8 U8 -","8","1","","Brandenburg, N.P.; Loopstra, B.O.","Uranyl sulphate hydrate, U O2 S O4 (H2 O)3.5","Crystal Structure Communications","1973","2","","243","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525827","14.298","","9.908","","8.43","","90","","90","","90","","1194.23","","","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","Zn V3 O8","","- O8 V3 Zn -","- O8 V3 Zn -","- O64 V24 Zn8 -","8","1","","Lloyd, D.J.; Galy, J.","Alpha zinc vanadium(IV) divanadate(V), alpha-Zn V3 O8","Crystal Structure Communications","1973","2","","209","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525851","28.01","","6.794","","7.218","","90","","90","","90","","1373.58","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","Te2 V2 O9","","- O9 Te2 V2 -","- O9 Te2 V2 -","- O72 Te16 V16 -","8","0.5","","Darriet, J.; Galy, J.","Tellurium(IV) vanadium(V) oxide, Te2 V2 O9","Crystal Structure Communications","1973","2","","237","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","146914","2020-10-21","18:00:00",""
"1526307","14.96","","6.112","","12.632","","90","","118.45","","90","","1015.53","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Co (H2 O)6) (N O3)2","","- Co H12 N2 O12 -","- Co H12 N2 O12 -","- Co4 H48 N8 O48 -","4","0.5","","Prelesnik, P.V.; Gabela, F.; Ribar, B.; Krstanovic, I.","Hexaquacobalt(II) nitrate, Co (O H2)6 (N O3)2","Crystal Structure Communications","1973","2","","581","583","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1557642","22.502","0.009","12.689","0.005","12.952","0.005","90","","90","","90","","3698","3","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","chloroquine","","","- C18 H26 Cl N3 -","- C18 H26 Cl N3 -","- C144 H208 Cl8 N24 -","8","1","","C. Courseille; B. Busetta; M. Hospital","7-CHLORO-4(4-DIETHYLAMINO-1-METHYLBUTYL-AMINO) QUINOLINE, C18H26CLN3 (CHLOROQUINE BASE)","Crystal Structure Communications","1973","2","","283","286","","","","","","","","0.093","","","","","","","","","","","","","","has coordinates","249613","2020-10-21","18:00:00",""
"5000030","15.966","0.006","13.609","0.006","7.952","0.004","90","","90","","90","","1727.82","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","testosterone","","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","","Precigoux, G.; Hospital, M.; van den Bosche, G.","","Crystal Structure Communications","1973","2","","435","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","175323","2020-10-21","18:00:00",""
"5000132","38.767","0.008","5.146","0.001","13.023","0.002","90","","103.59","0.04","90","","2525.28","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 Cl N O3 -","- C11 H18 Cl N O3 -","- C88 H144 Cl8 N8 O24 -","8","1","","Tsoucaris, D.; de Rango, C.; Tsoucaris, G.; Zelwer, C.; Parthasarathy, R.; Cole, F. E.","","Crystal Structure Communications","1973","2","","193","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""