# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T13:40:42+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 21 1 1' 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
"1004038","10.481","0.009","7.183","0.005","9.273","0.005","93.1","0.03","90","","90","","697.1","","","","","","","","","","","","","3","P 21 1 1","P 2xa","4","","Potassium tetrachloroaluminate","","- Al Cl4 K -","- Al Cl4 K -","- Al4 Cl16 K4 -","4","2","","Mairesse, G; Barbier, P; Wignacourt, J P","Potassium tetrachloroaluminate","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1328","1330","10.1107/S0567740878005464","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2021882","25.602","0.003","4.634","0.0002","8.8525","0.0004","99.109","0.004","90","","90","","1037.01","0.14","293","2","293","2","29100000","","","","","","","6","P 21 1 1","P 2xa","4","chlorpropamide, α^II^-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","2","","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2013","69","1","77","","10.1107/S2052519212051147","","","0.71073","MoKα","","0.1121","0.0681","","","0.1365","0.1444","","","","","","0.997","","","","has coordinates","246064","2020-10-21","18:00:00",""
"2021883","25.522","0.006","4.6023","0.0007","8.8298","0.0015","99.477","0.014","90","","90","","1023","0.3","293","2","293","2","33300000","","","","","","","6","P 21 1 1","P 2xa","4","chlorpropamide, α^II^-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","2","","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2013","69","1","77","","10.1107/S2052519212051147","","","0.71073","MoKα","","0.1068","0.06","","","0.1326","0.1423","","","","","","0.995","","","","has coordinates","246064","2020-10-21","18:00:00",""
"2105324","25.602","0.003","4.634","0.0002","8.8525","0.0004","99.109","0.004","90","","90","","1037.01","0.14","293","2","293","2","29100000","","","","","","","6","P 21 1 1","P 2xa","4","chlorpropamide, α^II^-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","2","GP5058","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B","2013","69","1","77","85","10.1107/S0108768112051142","","","0.71073","MoKα","","0.1121","0.0681","","","0.1365","0.1444","","","","","","0.997","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105325","25.522","0.006","4.6023","0.0007","8.8298","0.0015","99.477","0.014","90","","90","","1023","0.3","293","2","293","2","33300000","","","","","","","6","P 21 1 1","P 2xa","4","chlorpropamide, α^II^-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","2","GP5058","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B","2013","69","1","77","85","10.1107/S0108768112051142","","","0.71073","MoKα","","0.1068","0.06","","","0.1326","0.1423","","","","","","0.995","","","","has coordinates","201972","2020-10-21","18:00:00",""
"4119410","8.0513","0.0004","10.417","0.0006","19.4576","0.001","90","","90","","90","","1631.92","0.15","293","2","293","2","","","","","","","","4","P 21 1 1","P 2xa","4","","","","- C11 H10 N0 O2 -","- C9.14286 H16 N1.14286 O1.71429 -","- C64 H112 N8 O12 -","7","3.5","","Soham Maity; Srimanta Manna; Sujoy Rana; Togati Naveen; Arijit Mallick; Debabrata Maiti","Efficient and Stereoselective Nitration of Mono- and Disubstituted Olefins with AgNO2 and TEMPO","Journal of the American Chemical Society","2013","135","","3355","3358","10.1021/ja311942e","","","0.71073","MoKα","","0.0658","0.0532","","","0.1328","0.1451","","","","","","1.156","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4349442","8.7844","0.0004","8.7844","0.0004","20.285","0.0011","90","","90","","90","","1565.31","0.13","100","2","100","2","","","","","","","","6","P 21 1 1","P 2xa","4","","","","- C30 H22 Co F12 N6 P2 -","- C30 H22 Co F12 N6 P2 -","- C60 H44 Co2 F24 N12 P4 -","2","1","","Aroua, Safwan; Todorova, Tanya K.; Hommes, Paul; Chamoreau, Lise-Marie; Reissig, Hans-Ulrich; Mougel, Victor; Fontecave, Marc","Synthesis, Characterization, and DFT Analysis of Bis-Terpyridyl-Based Molecular Cobalt Complexes.","Inorganic chemistry","2017","56","10","5930","5940","10.1021/acs.inorgchem.7b00595","","x-ray","0.71073","MoKα","","0.0341","0.0337","","","0.0876","0.0879","","","","","","1.045","","","","has coordinates,has disorder","233992","2020-10-21","18:00:00",""
"9015116","5.679","","7.412","","18.836","","101.26","","90","","90","","777.597","","","","","","","","","","","","Khibiny massif, Kola Peninsula, Russia","7","P 21 1 1","P 2xa","4","","","Rinkite","- Ca3.7 Ce0.9 F3.5 Na2.4 O14.5 Si4 Ti -","- Ca3.7 Ce0.9 F3.5 Na2.4 O14.5 Si4 Ti -","- Ca7.4 Ce1.8 F7 Na4.8 O29 Si8 Ti2 -","2","1","","Rastsvetaeva, R. K.; Borutskii, B. E.; Shlyukova, Z. V.","Crystal structure of Hibbing rinkite","Soviet Physics Crystallography","1991","36","","349","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""