# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T12:38:18+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 = 5 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
"1004034","13.905","","9.952","","7.185","","90","","90","","90","","994.3","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium pentachloroaquaindate","","- Cl5 H2 In K2 O -","- Cl5 H2 In K2 O -","- Cl20 H8 In4 K8 O4 -","4","0.5","","Wignacourt, J P; Mairesse, G; Barbier, P","Potassium pentachloroindate monohydrate, K~2~ (In Cl~5~, H~2~ O)","Crystal Structure Communications","1976","5","","293","296","","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1004060","10.411","0.008","7.055","0.003","9.461","0.005","90","","90","","90","","694.9","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Nitrosyl tetrachloroaluminate","","- Al Cl4 N O -","- Al Cl4 N O -","- Al4 Cl16 N4 O4 -","4","0.5","","Barbier, P; Mairesse, G; Wignacourt, J P; Baert, F","Nitrosyl tetrachloroaluminate N O Al Cl~4~","Crystal Structure Communications","1976","5","","633","637","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1527245","4.07","","4.07","","4.07","","90","","90","","90","","67.419","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","((N H4)2 (Cu (N H3)2) Br4)0.25","","- Br Cu0.25 H3.5 N -","- Br Cu0.252 H3.5008 N -","- Br Cu0.252 H3.5008 N -","1","0.0416667","","Clayton, W.; Meyers, E.","Diammonium diamminecopper(II) bromide, Br4 Cu H14 N4","Crystal Structure Communications","1976","5","","57","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527246","3.901","","3.901","","3.901","","90","","90","","90","","59.365","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","((N H4) (Cu (N H3)2) Cl3)0.3333","","- Cl0.9999 Cu0.3333 H3.333 N0.9999 -","- Cl Cu0.333 H3.3336 N -","- Cl Cu0.333 H3.3336 N -","1","0.0416667","","Clayton, W.; Meyers, E.","Ammonium diamminecopper(II) chloride, Cl3 Cu H10 N3","Crystal Structure Communications","1976","5","","63","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527247","3.91","","3.91","","3.91","","90","","90","","90","","59.776","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","((N H4)2 (Cu (N H3)2) Cl4)0.25","","- Cl Cu0.25 H3.5 N -","- Cl Cu0.249 H3.5 N -","- Cl Cu0.249 H3.5 N -","1","0.0416667","","Clayton, W.; Meyers, E.","Diammonium diamminecopper(II) chloride, Cl4 Cu H14 N4","Crystal Structure Communications","1976","5","","61","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527383","9.234","","11.77","","6.778","","91.17","","110.72","","69.48","","640.768","","","","","","","","","","","","","4","P -1","-P 1","2","","(Pr (H2 O)4) (N O3)3 (H2 O)2","","- H12 N3 O15 Pr -","- N3 O15 Pr -","- N6 O30 Pr2 -","2","1","","Fuller, C.; Jacobson, R.A.","Tris(nitrato)tetraaquopraseodymium(III) dihydrate, Pr (N O3)3 (H2 O)4 (H2 O)2","Crystal Structure Communications","1976","5","","349","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536908","6.6546","","6.5422","","10.8998","","90","","103.842","","90","","460.75","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Mn Se O3 (H2 O)2","","- H4 Mn O5 Se -","- Mn O5 Se -","- Mn4 O20 Se4 -","4","1","","Koskenlinna, M.; Niinisto, L.; Valkonen, J.","Manganese selenite dihydrate, Mn Se O3 (H2 O)2","Crystal Structure Communications","1976","5","","663","666","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9012784","12.664","","10.091","","11.322","","90","","109.6","","90","","1363.03","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Admontite","- B6 H22 Mg O17 -","- B6 H22 Mg O17 -","- B24 H88 Mg4 O68 -","4","1","","dal Negro, A.; Ungaretti, L.; Basso, R.","The crystal structure of synthetic hydrated borates: (II) MgO*3B2O3*7H2O","Crystal Structure Communications","1976","5","","433","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:55",""