# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-09-28T23:09:47+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 'Journal of Fluorine Chemistry') AND volume = 110 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
"1100113","6.3004","0.0018","12.691","0.002","12.7423","0.0014","90.966","0.014","90.515","0.012","94.351","0.019","1015.72","","","","293","","","","","","","","","6","P -1","-P 1","2","","bis(Hexane-1,6-diammonium) hexa-fluoro-aluminium(iii) fluoride monohydrate","","- C12 H38 Al F7 N4 O -","- C18 H56 Al F13 N6 O -","- C36 H112 Al2 F26 N12 O2 -","2","1","","Touret, J.; Bourdon, X.; Leblanc, M.; Retoux, R.; Renaudin, J.; Maisonneuve, V.","Crystal structure of new hydroxide fluorides with isolated F- anions: [H~3~N(CH~2~)~6~NH~3~]~2~M(F, OH)~6~(F,OH)·H~2~O (M = Al, In)","Journal of Fluorine Chemistry","2001","110","2","133","138","10.1016/s0022-1139(01)00420-1","","","","","","","0.0449","","","0.0449","","","","","","","","","","","has coordinates","177548","2020-10-21","18:00:00",""
"1100114","6.4714","0.0003","12.9203","0.0009","13.0843","0.0006","90.16","0.006","90.683","0.004","94.138","0.005","1091.07","","","","293","","","","","","","","","6","P -1","-P 1","2","","bis(Hexane-1,6-diammonium) hexa-fluoro-indium(iii) fluoride monohydrate","","- C12 H38 F7 In N4 O -","- C18 H56 F13 In N6 O -","- C36 H112 F26 In2 N12 O2 -","2","1","","Touret, J.; Bourdon, X.; Leblanc, M.; Retoux, R.; Renaudin, J.; Maisonneuve, V.","Crystal structure of new hydroxide fluorides with isolated F- anions: [H~3~N(CH~2~)~6~NH~3~]~2~M(F, OH)~6~(F,OH)·H~2~O (M = Al, In)","Journal of Fluorine Chemistry","2001","110","2","133","138","10.1016/s0022-1139(01)00420-1","","","","","","","0.0309","","","0.0309","","","","","","","","","","","has coordinates","177548","2020-10-21","18:00:00",""
"1509330","9.7985","","9.7985","","9.7985","","90","","90","","90","","940.76","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Ag (Sb F6)","","- Ag F6 Sb -","- Ag F6 Sb -","- Ag8 F48 Sb8 -","8","0.166667","","Tamada, O.; Matsumoto, K.; Hagiwara, R.; Ito, Y.","Crystal structures of Ag A F6 (A = P, As, Sb, Nb, Ta) at ambient temperatures","Journal of Fluorine Chemistry","2001","110","","117","122","10.1016/S0022-1139(01)00418-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509333","4.9949","","4.9949","","9.6051","","90","","90","","90","","239.638","","","","","","","","","","","","","3","P 42/m c m","-P 4c 2c","132","","Ag (Ta F6)","","- Ag F6 Ta -","- Ag F6 Ta -","- Ag2 F12 Ta2 -","2","0.125","","Matsumoto, K.; Hagiwara, R.; Tamada, O.; Ito, Y.","Crystal structures of Ag A F6 (A = P, As, Sb, Nb, Ta) at ambient temperatures","Journal of Fluorine Chemistry","2001","110","","117","122","10.1016/S0022-1139(01)00418-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510611","5.356","","5.766","","8.649","","90","","101.39","","90","","261.844","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","(Br F3) (Au F3)","","- Au Br F6 -","- Au Br F6 -","- Au2 Br2 F12 -","2","1","","Platte, C.; Benkic, P.; Richardson, T.J.; Bartlett, N.; Dove, M.F.A.","Concerning the crystal structure of Br F3 * Au F3","Journal of Fluorine Chemistry","2001","110","","83","86","10.1016/S0022-1139(01)00414-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1534703","5.026","","7.749","","8.555","","94.92","","91.77","","97.86","","328.534","","","","","","","","","","","","","5","P -1","-P 1","2","","(Co (S O2)2) (Sb F6)2","","- Co F12 O4 S2 Sb2 -","- Co F12 O4 S2 Sb2 -","- Co F12 O4 S2 Sb2 -","1","0.5","","Lork, E.; Mews, R.; Petersen, J.; Schroeter, M.; Zemva, B.","Transition metal sulfur dioxide hexafluoroarsenates and hexafluoroantimonates","Journal of Fluorine Chemistry","2001","110","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534706","8.508","","13.556","","14.735","","90","","99.36","","90","","1676.83","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Co (S O2)4) (As F6)2","","- As2 Co F12 O8 S4 -","- As2 Co F12 O8 S4 -","- As8 Co4 F48 O32 S16 -","4","1","","Lork, E.; Mews, R.; Zemva, B.; Schroeter, M.; Petersen, J.","Transition metal sulfur dioxide hexafluoroarsenates and hexafluoroantimonates","Journal of Fluorine Chemistry","2001","110","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534708","15.068","","17.916","","9.212","","90","","90","","90","","2486.86","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","(Mn (S O2)2) (As F6)2","","- As2 F12 Mn O4 S2 -","- As2 F12 Mn O4 S2 -","- As16 F96 Mn8 O32 S16 -","8","0.5","","Lork, E.; Mews, R.; Schroeter, M.; Petersen, J.; Zemva, B.","Transition metal sulfur dioxide hexafluoroarsenates and hexafluoroantimonates","Journal of Fluorine Chemistry","2001","110","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534712","7.505","","12.969","","8.907","","90","","104.21","","90","","840.413","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Cu (S O2)4) (As F6)2","","- As2 Cu F12 O8 S4 -","- As2 Cu F12 O8 S4 -","- As4 Cu2 F24 O16 S8 -","2","0.5","","Lork, E.; Mews, R.; Zemva, B.; Petersen, J.; Schroeter, M.","Transition metal sulfur dioxide hexafluoroarsenates and hexafluoroantimonates","Journal of Fluorine Chemistry","2001","110","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535550","10.583","","15.209","","10.794","","90","","90","","90","","1737.37","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Pb (H F) (As F6)2","","- As2 F13 H Pb -","- As2 F13 H Pb -","- As16 F104 H8 Pb8 -","8","1","","Tramsek, M.; Lork, E.; Zemva, B.; Mews, R.","Synthesis and crystal structures of two new lead(II) hexafluoroarsenates(V)","Journal of Fluorine Chemistry","2001","110","","123","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535554","4.661","","7.237","","7.474","","105.93","","101.49","","90.66","","236.984","","","","","","","","","","","","","3","P -1","-P 1","2","","Pb F (As F6)","","- As F7 Pb -","- As F7 Pb -","- As2 F14 Pb2 -","2","1","","Tramsek, M.; Lork, E.; Mews, R.; Zemva, B.","Synthesis and crystal structures of two new lead(II) hexafluoroarsenates(V)","Journal of Fluorine Chemistry","2001","110","","123","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536938","6.1356","","6.1356","","13.8232","","90","","90","","90","","520.382","","","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","(Xe O Te F5) (As F6)","","- As F11 O Te Xe -","- As F11 O Te Xe -","- As2 F22 O2 Te2 Xe2 -","2","0.25","","Fir, B.A.; Mercier, H.P.A.; Dixon, D.A.; Sanders, J.C.P.; Schrobilgen, G.J.D.","Structural and theoretical studies of Xe (O Ch F5)2 and (Xe O Ch F5) (As F6) (Ch = Se, Te)","Journal of Fluorine Chemistry","2001","110","","89","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536940","6.1195","","6.1195","","13.0315","","90","","90","","90","","488.007","","","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","(Xe O Se F5) (As F6)","","- As F11 O Se Xe -","- As F11 O Se Xe -","- As2 F22 O2 Se2 Xe2 -","2","0.25","","Fir, B.A.; Mercier, H.P.A.; Schrobilgen, G.J.D.; Sanders, J.C.P.; Dixon, D.A.","Structural and theoretical studies of Xe (O Ch F5)2 and (Xe O Ch F5) (As F6) (Ch = Se, Te)","Journal of Fluorine Chemistry","2001","110","","89","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536942","8.3859","","8.3859","","12.0355","","90","","90","","120","","732.983","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Xe (O Se F5)2","","- F10 O2 Se2 Xe -","- F9.99 O1.998 Se2 Xe -","- F29.97 O5.994 Se6 Xe3 -","3","0.166667","","Fir, B.A.; Mercier, H.P.A.; Schrobilgen, G.J.D.; Sanders, J.C.P.; Dixon, D.A.","Structural and theoretical studies of Xe (O Ch F5)2 and (Xe O Ch F5) (As F6) (Ch = Se, Te)","Journal of Fluorine Chemistry","2001","110","","89","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536944","10.289","","9.6052","","10.478","","90","","106.599","","90","","992.366","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Xe (O Te F5)2","","- F10 O2 Te2 Xe -","- F10 O2 Te2 Xe -","- F40 O8 Te8 Xe4 -","4","1","","Fir, B.A.; Schrobilgen, G.J.D.; Mercier, H.P.A.; Dixon, D.A.; Sanders, J.C.P.","Structural and theoretical studies of Xe (O Ch F5)2 and (Xe O Ch F5) (As F6) (Ch = Se, Te)","Journal of Fluorine Chemistry","2001","110","","89","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""