# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T15:23:58+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'B -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
"1008536","7.002","0.002","8.3516","0.002","10.9052","0.0023","91.91","0.02","108.39","0.02","110.5","0.02","559.4","","","","","","","","","","","","","2","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","","Vanadium oxide (5/9)","","- O9 V5 -","- O9 V5 -","- O36 V20 -","4","","","Le Page, Y; Bordet, P; Marezio, M","Valence ordering in V~5~O~9~ below 120K","Journal of Solid State Chemistry","1991","92","","380","385","10.1016/0022-4596(91)90346-J","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010913","9.51","","5.65","","6.42","","90","0","90","0","90","0","345","","","","","","","","","","","","from Spindelmuehle, Riesengebirge, Bohemia","3","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","","Iron arsenide sulfide (1/1/1)","Arsenopyrite","- As Fe S -","- As Fe S -","- As8 Fe8 S8 -","8","","","Buerger, M J","The symmetry and crystal structure of the minerals of the arsenopyrite group","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","95","","83","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2103700","8.012","0.001","16.171","0.002","18.28","0.002","80.78","0.01","83.45","0.01","84.07","0.01","2313.8","0.5","294","1","294","1","","","","","","","","3","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","","7b-triisopropylsilylfluoradene","","- C28 H32 Si -","- C28.006 H32 Si -","- C112.024 H128 Si4 -","4","","BS0015","Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition","Acta Crystallographica Section B","2001","57","4","507","516","10.1107/S0108768101008631","","","0.71073","MoKα","","0.088","0.082","","","","0.206","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2311997","16.7989","0.0006","17.0054","0.0007","22.1341","0.0007","78.897","0.002","100.411","0.004","90.042","0.003","6098.8","0.4","150","2","150","2","","","","","","","","5","B -1","-B 1","2","","13-Chloro-2-(2-chlorophenyl)-3-oxa-6,9-diazatricyclo[8.4.0.0^2,6^]tetradeca-1(10),11,13-trien-8-one","","- C17 H14 Cl2 N2 O2 -","- C17 H14 Cl2 N2 O2 -","- C272 H224 Cl32 N32 O32 -","16","4","","Garraza, María Soledad; Gimenez, María Emilia; Vega, Daniel Roberto; Baggio, Ricardo","Crystal structure and pseudosymmetry analysis of the triclinic prodrug cloxazolam (Z' = 4).","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 7","851","858","10.1107/S2053229619008404","","","0.71073","MoKα","","0.1159","0.0574","","","0.108","0.1253","","","","","","1.12","","","","has coordinates","246238","2020-10-21","18:00:00",""
"4133977","7.167","0.0004","9.2494","0.0006","11.888","0.001","76.621","0.006","77.687","0.006","83.786","0.005","747.6","0.09","300","","300","","","","","","","","","4","B -1","-B 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0377","0.0368","","","0.0994","0.1004","","","","","","1.044","","","","has coordinates,has disorder","247531","2020-10-21","18:00:00",""
"4133978","7.1618","0.0005","9.2536","0.0006","11.8972","0.0009","76.583","0.006","77.727","0.006","83.757","0.005","747.94","0.09","302.5","","302.5","","","","","","","","","4","B -1","-B 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0389","0.0381","","","0.0989","0.0996","","","","","","1.079","","","","has coordinates,has disorder","247531","2020-10-21","18:00:00",""
"4133979","7.1683","0.0005","9.2643","0.0006","11.916","0.0008","76.588","0.006","77.763","0.006","83.749","0.006","750.78","0.09","304","","304","","","","","","","","","4","B -1","-B 1","2","","Ferrocene:hexafluorobenzene","","- C16 H10 F6 Fe -","- C16 H10 F6 Fe -","- C32 H20 F12 Fe2 -","2","","","Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.","Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.","Journal of the American Chemical Society","2020","142","4","1731","1734","10.1021/jacs.9b11895","","x-ray","0.71073","MoKα","","0.0415","0.0407","","","0.1135","0.1146","","","","","","1.07","","","","has coordinates,has disorder","247531","2020-10-21","18:00:00",""
"4343747","7.536","","13.406","","27.226","","89.02","","91.58","","93.24","","2744.8","","","","","","","","","","","","","3","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","","S19 (As F6)2","","- As2 F12 S18.64 -","- As2 F12 S18.64 -","- As8 F48 S74.56 -","4","","","Burns, R.C.; Gillespie, R.J.; Sawyer, J.F.","Preparation and Crystal Structure of S19 (As F6)2 and an ESR and Absorption Spectral Study of Solutions Containing the S19(2+) Cation and Related Systems","Inorganic Chemistry","1980","19","","1423","1432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4511756","9.192","0.004","10.285","0.004","11.992","0.003","105.74","0.03","90","0.04","103.69","0.04","1057.7","0.7","573","","573","","","","","","","","","3","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","","","","- As K O3 -","- As K O3 -","- As12 K12 O36 -","12","","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.7107","MoKα","","0.2063","0.1203","","","0.1492","0.1622","","","","3.31","3.31","2.01","","","","has coordinates","288070","2023-12-06","12:55:45",""
"4511757","9.0742","0.0017","10.2593","0.0017","12.007","0.004","105.375","0.008","90.02","0.03","104.188","0.008","1042.4","0.4","340","","340","","","","","","","","","4","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","potassium metaarsenate, beta","","","- As K0.798 O3 Rb0.202 -","- As K0.797667 O3 Rb0.202333 -","- As12 K9.572 O36 Rb2.428 -","12","","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.71073","MoKα","","0.1091","0.0424","","","0.0403","0.0458","","","","1.44","1.44","1.16","","","","has coordinates","288070","2023-12-06","12:56:01",""
"7000498","13.7888","0.0003","20.6256","0.0004","21.5347","0.0004","93.354","0.002","100.909","0.002","96.853","0.002","5950.2","0.2","140","1","140","1","","","","","","","","7","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","Conmpound 7","","","- C60 H81 Cl2 Cr Li N5 O4 -","- C60 H81 Cl2 Cr Li N5 O4 -","- C240 H324 Cl8 Cr4 Li4 N20 O16 -","4","","","Redshaw, Carl; Homden, Damien; Hughes, David L.; Wright, Joseph A.; Elsegood, Mark R. J.","New structural motifs in chromium(iii) calix[4 and 6]arene chemistry","Dalton Transactions","2009","","7","1231","1242","10.1039/b813313a","","","0.71073","Mo-Kα","","0.1","0.0588","","","0.1453","0.1587","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"9002503","19.727","","8.796","","13.631","","82.21","","78.08","","100.04","","2242.38","","","","","","","","","","","","","4","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","","","Symesite","- Cl4 O12 Pb10 S -","- Cl4 O12 Pb10 S -","- Cl16 O48 Pb40 S4 -","4","","","Welch, M. D.; Cooper, M. A.; Hawthorne, F. C.; Criddle, A. J.","Symesite, Pb10(SO4)O7Cl4(H2O), a new PbO-related sheet mineral: Description and crystal structure","American Mineralogist","2000","85","","1526","1533","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""