# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T06:36:37+01:00
# 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 'Inorganic Chemistry') AND volume = 60 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
"4350794","19.5539","0.0004","12.7308","0.0002","28.3182","0.0007","90","","108.978","0.003","90","","6666.3","0.3","93","2","93","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C30.5 H51 Cl2 N2 P2 Re -","- C30.5 H51 Cl2 N2 P2 Re -","- C244 H408 Cl16 N16 P16 Re8 -","8","1","","Weber, Jeremy E.; Hasanayn, Faraj; Fataftah, Majed; Mercado, Brandon Q.; Crabtree, Robert H.; Holland, Patrick L.","Electronic and Spin-State Effects on Dinitrogen Splitting to Nitrides in a Rhenium Pincer System.","Inorganic chemistry","2021","60","9","6115","6124","10.1021/acs.inorgchem.0c03778","","","1.54184","CuKα","","0.021","0.0208","","","0.0541","0.0542","","","","","","1.101","","","","has coordinates,has disorder","264806","2021-05-03","22:04:43",""
"4350795","17.3984","0.0002","17.3984","0.0002","16.7004","0.0003","90","","90","","90","","5055.28","0.12","93","2","93","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C44 H84 Cl4 N4 P4 Re2 -","- C44 H84 Cl4 N4 P4 Re2 -","- C176 H336 Cl16 N16 P16 Re8 -","4","0.25","","Weber, Jeremy E.; Hasanayn, Faraj; Fataftah, Majed; Mercado, Brandon Q.; Crabtree, Robert H.; Holland, Patrick L.","Electronic and Spin-State Effects on Dinitrogen Splitting to Nitrides in a Rhenium Pincer System.","Inorganic chemistry","2021","60","9","6115","6124","10.1021/acs.inorgchem.0c03778","","","1.54184","CuKα","","0.0194","0.0186","","","0.0463","0.0468","","","","","","1.042","","","","has coordinates","264806","2021-05-03","22:04:44",""
"4350796","11.8668","0.0003","14.5601","0.0004","14.8307","0.0005","90","","90","","90","","2562.47","0.13","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 Cl N2 P2 Re -","- C22 H42 Cl N2 P2 Re -","- C88 H168 Cl4 N8 P8 Re4 -","4","1","","Weber, Jeremy E.; Hasanayn, Faraj; Fataftah, Majed; Mercado, Brandon Q.; Crabtree, Robert H.; Holland, Patrick L.","Electronic and Spin-State Effects on Dinitrogen Splitting to Nitrides in a Rhenium Pincer System.","Inorganic chemistry","2021","60","9","6115","6124","10.1021/acs.inorgchem.0c03778","","","0.71073","MoKα","","0.0206","0.0198","","","0.048","0.0485","","","","","","1.111","","","","has coordinates,has disorder","264806","2021-05-03","22:04:44",""
"4350797","12.10616","0.00002","18.56652","0.00003","8.521538","0.000015","90","","90","","90","","1915.38","0.006","293","2","293","2","","","","","","","","3","C m m a","-C 2a 2","67","beta-Zn7Sb2O12","","","- O12 Sb2 Zn7 -","- O12 Sb2 Zn7 -","- O96 Sb16 Zn56 -","8","0.5","","Betke, Ulf","Missing Piece in the Crystal Chemistry of Zn-Sb Secondary Phases in ZnO-Sb2O3-Bi2O3 Varistor Ceramics: Orthorhombic beta-Zn7Sb2O12. An Experimental and Theoretical Study of the Crystal Structure and Its Thermal and Vibrational Spectroscopic Characterization","Inorganic Chemistry","2021","60","","8640","","","powder diffraction","","1.392","CuKβ","","1.292","","","","","","","","1.244","","","","","","","has coordinates","267694","2021-07-22","13:32:10",""
"4350818","10.82345","0.00003","10.82345","0.00003","10.82345","0.00003","90","","90","","90","","1267.94","0.006","293","2","293","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","","","- Cu22 S32 Sn10 -","- Cu21.812 S32 Sn10.188 -","- Cu21.812 S32 Sn10.188 -","1","0.0416667","","Pavan Kumar, V.; Lemoine, P.; Carnevali, V.; Guelou, G.; Lebedev, O.I.; Raveau, B.; Al Rahal Al Orabi, R.; Fornari, M.; Candolfi, C.; Prestipino, C.; Menut, D.; Malaman, B.; Juraszek, J.; Suekuni, K.; Guilmeau, E.","Local-disorder-induced low thermal conductivity in degenerate semiconductor Cu22Sn10S32","Inorganic Chemistry","2021","60","21","16273","16285","10.1021/acs.inorgchem.1c02105","powder diffraction","","0.72733","MARSbeamline,SOLEIL","","","","","","","","","81.8604","","","","","","","","has coordinates","280697","2023-01-31","09:27:53",""