# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-18T10:33:20+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 'Polyhedron') AND volume = 29 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
"1500028","8.4355","0.0006","40.985","0.003","7.1685","0.0005","90","","113.298","0.001","90","","2276.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 Cu N13 O4 -","- C18 H29 Cu N13 O4 -","- C72 H116 Cu4 N52 O16 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2010","29","","372","378","10.1016/j.poly.2009.06.002","","","0.71073","MoKα","","0.053","0.0476","","","0.11","0.1121","","","","","","1.255","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500029","7.5499","0.0006","8.1885","0.0006","10.9247","0.0009","108.819","0.001","96.302","0.001","97.634","0.001","625.18","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 Cu N14 O6 -","- C16 H32 Cu N14 O6 -","- C16 H32 Cu N14 O6 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2010","29","","372","378","10.1016/j.poly.2009.06.002","","","0.71073","MoKα","","0.0311","0.0303","","","0.0782","0.0787","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500038","8.1905","0.0019","8.2396","0.0013","10.8651","0.0017","95.215","0.002","95.77","0.003","117.933","0.002","636.5","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H34 N14 Ni O7 -","- C16 H34 N14 Ni O7 -","- C16 H34 N14 Ni O7 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2010","29","","372","378","10.1016/j.poly.2009.06.002","","","0.71073","MoKα","","0.0424","0.0413","","","0.1139","0.1147","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501553","8.0656","0.0002","21.8175","0.0004","10.5558","0.0002","90","","93.691","0.001","90","","1853.66","0.07","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Ag Cl O4 S4 -","- C10 H24 Ag Cl O4 S4 -","- C40 H96 Ag4 Cl4 O16 S16 -","4","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.0292","0.0277","","","0.0784","0.0796","","","","","","1.098","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501554","8.0371","0.0002","21.6514","0.0006","10.4766","0.0003","90","","92.324","0.002","90","","1821.58","0.09","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Ag B F4 S4 -","- C10 H24 Ag B F4 S4 -","- C40 H96 Ag4 B4 F16 S16 -","4","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.055","0.0401","","","0.0887","0.093","","","","","","0.905","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501555","8.0541","0.0002","9.6501","0.0002","21.099","0.0005","90","","90","","90","","1639.87","0.07","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H18 Ag F3 O4 S3 -","- C9 H18 Ag F3 O4 S3 -","- C36 H72 Ag4 F12 O16 S12 -","4","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.045","0.0395","","","0.1165","0.1193","","","","","","1.063","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501556","18.1075","0.0004","7.9194","0.0002","18.0488","0.0004","90","","100.504","0.001","90","","2544.83","0.1","200","2","200","2","","","","","","","Synthesized by the authors. See text","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H12 Ag F6 S2 Sb -","- C5 H12 Ag F6 S2 Sb -","- C40 H96 Ag8 F48 S16 Sb8 -","8","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.0532","0.0467","","","0.1333","0.1369","","","","","","1.115","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501557","25.716","0.0009","7.8986","0.0003","9.9444","0.0004","90","","94.775","0.002","90","","2012.9","0.13","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 Ag2 O4 S2 -","- C19 H22 Ag2 O4 S2 -","- C76 H88 Ag8 O16 S8 -","4","0.5","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.0538","0.0513","","","0.127","0.1326","","","","","","1.078","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501558","7.6138","0.0009","16.0573","0.0019","19.894","0.002","90","","90","","90","","2432.2","0.5","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C7 H12 Ag F3 O2 S2 -","- C7 H12 Ag F2.925 O2 S2 -","- C56 H96 Ag8 F23.4 O16 S16 -","8","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.1477","0.0722","","","0.1666","0.2064","","","","","","0.923","","","","has coordinates,has disorder","256942","2020-10-21","18:00:00",""
"1501559","7.8429","0.0002","8.186","0.0002","12.5548","0.0003","78.115","0.001","74.271","0.001","77.759","0.001","748.72","0.03","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C9 H12 Ag F7 O2 S2 -","- C9 H12 Ag F7 O2 S2 -","- C18 H24 Ag2 F14 O4 S4 -","2","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.0657","0.0647","","","0.1719","0.1749","","","","","","1.056","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501560","7.6593","0.0004","8.315","0.0004","10","0.0004","112.09","0.002","107.066","0.002","94.179","0.002","551.93","0.05","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C7 H12 Ag F2 O2 S2 -","- C7 H12 Ag F2 O2 S2 -","- C14 H24 Ag2 F4 O4 S4 -","2","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.0482","0.0455","","","0.1141","0.1182","","","","","","1.045","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1512924","12.654","0.0013","12.9686","0.0013","19.864","0.002","90","","90","","90","","3259.8","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H22 Br3 La O9 -","- C2 H22 Br3 La O9 -","- C16 H176 Br24 La8 O72 -","8","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0194","0.0158","","","0.0333","0.0344","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512925","8.386","0.0012","8.386","0.0012","6.8655","0.0019","90","","90","","120","","418.13","0.14","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C6 H24 Br2 Ca O6 -","- C6 H24 Br2 Ca O6 -","- C6 H24 Br2 Ca O6 -","1","0.166667","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0426","0.0399","","","0.1027","0.1038","","","","","","1.298","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512926","10.1803","0.0016","14.794","0.002","10.6387","0.0017","90","","106.532","0.002","90","","1536","0.4","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C5 H20 Br3 La O5 -","- C5 H20 Br3 La O5 -","- C20 H80 Br12 La4 O20 -","4","2","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0257","0.0237","","","0.0494","0.0521","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512927","12.3556","0.0014","9.9655","0.0011","12.5633","0.0014","90","","90","","90","","1546.9","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H15 Br3 La O5 -","- C5 H15 Br3 La O5 -","- C20 H60 Br12 La4 O20 -","4","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0464","0.0458","","","0.1135","0.1139","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512928","8.75","0.005","18.635","0.011","8.278","0.005","90","","108.958","0.008","90","","1276.6","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H32 Cl6 La2 O8 -","- C8 H32 Cl6 La2 O8 -","- C16 H64 Cl12 La4 O16 -","2","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0175","0.0173","","","0.0435","0.0437","","","","","","1.263","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512929","15.941","0.003","8.5737","0.0014","20.14","0.003","90","","93.625","0.002","90","","2747.1","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H40 I3 La O10 -","- C10 H40 I3 La O10 -","- C40 H160 I12 La4 O40 -","4","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.021","0.0187","","","0.0454","0.0552","","","","","","1.184","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512930","8.783","0.003","13.884","0.005","14.54","0.005","90","","90","","90","","1773.1","1.1","181","2","181","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H24 Br3 O3 Sc -","- C12 H24 Br3 O3 Sc -","- C48 H96 Br12 O12 Sc4 -","4","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0986","0.0967","","","0.3862","0.3895","","","","","","2.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512931","8.2662","0.0013","9.3601","0.0015","15.485","0.002","79.185","0.002","87.106","0.002","74.956","0.002","1136.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 Br3 Nd O4 -","- C16 H32 Br3 Nd O4 -","- C32 H64 Br6 Nd2 O8 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0505","0.0463","","","0.1264","0.1282","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512932","16.998","0.002","17.515","0.002","32.617","0.005","90","","90","","90","","9711","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Br3 N4 Nd -","- C20 H20 Br3 N4 Nd -","- C320 H320 Br48 N64 Nd16 -","16","2","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0866","0.0386","","","0.0619","0.0796","","","","","","1.005","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512982","7.0926","0.0007","9.5222","0.001","11.4002","0.0012","80.361","0.002","81.178","0.002","85.604","0.002","749.06","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Cu N3 O6 S -","- C13 H15 Cu N3 O6 S -","- C26 H30 Cu2 N6 O12 S2 -","2","1","","Amal Cherian Kathalikkattil; Kamal Kumar Bisht; P.S. Subramanian; Eringathodi Suresh","Synthesis, characterization and X-ray crystallographic investigation of 2-D hybrid hydrogen bonded and rectangular grid networks in Cu(II) and Co(II) metal complexes","Polyhedron","2010","29","7","1801","1809","10.1016/j.poly.2010.02.036","","","0.71073","MoKα","","0.0837","0.0728","","","0.1675","0.1754","","","","","","1.206","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512983","11.53","0.004","13.921","0.005","10.17","0.004","90","","95.452","0.006","90","","1625","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Co N3 O7 S -","- C13 H15 Co N3 O7 S -","- C52 H60 Co4 N12 O28 S4 -","4","1","","Amal Cherian Kathalikkattil; Kamal Kumar Bisht; P.S. Subramanian; Eringathodi Suresh","Synthesis, characterization and X-ray crystallographic investigation of 2-D hybrid hydrogen bonded and rectangular grid networks in Cu(II) and Co(II) metal complexes","Polyhedron","2010","29","7","1801","1809","10.1016/j.poly.2010.02.036","","","0.71073","MoKα","","0.1107","0.0869","","","0.2088","0.2213","","","","","","1.105","","","","has coordinates","288193","2023-12-08","17:12:23",""
"1549441","7.5244","0.0005","10.5204","0.0019","20.806","0.003","90","","95.374","0.011","90","","1639.8","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Mn N4 O7 -","- C14 H14 Mn N4 O7 -","- C56 H56 Mn4 N16 O28 -","4","1","","El-Azzouzi, Nabila; Hueso-Ureña, Francisco; Illán-Cabeza, Nuria A.; Moreno-Carretero, Miguel N.","XRD structure of two heptacoordinated Mn(II) complexes containing 2,9-dimethyl-1,10-phenanthroline (phen), nitrato and nicotinato bidentate anions: [Mn(phen)(nicot)(NO3)(H2O)]·EtOH·H2O and [Mn(phen)(NO3)2(H2O)]","Polyhedron","2010","29","5","1405","","10.1016/j.poly.2010.01.026","","x-ray","0.71073","MoKα","","0.0786","0.0528","","","0.1287","0.151","","","","","","1.13","","","","has coordinates","207908","2020-10-21","18:00:00",""
"1549442","16.5442","0.0006","9.2953","0.0008","16.9886","0.0017","90","","114.337","0.007","90","","2380.4","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C22 H26 Mn N4 O8 -","- C22 H26 Mn N4 O8 -","- C88 H104 Mn4 N16 O32 -","4","1","","El-Azzouzi, Nabila; Hueso-Ureña, Francisco; Illán-Cabeza, Nuria A.; Moreno-Carretero, Miguel N.","XRD structure of two heptacoordinated Mn(II) complexes containing 2,9-dimethyl-1,10-phenanthroline (phen), nitrato and nicotinato bidentate anions: [Mn(phen)(nicot)(NO3)(H2O)]·EtOH·H2O and [Mn(phen)(NO3)2(H2O)]","Polyhedron","2010","29","5","1405","","10.1016/j.poly.2010.01.026","","x-ray","0.71073","MoKα","","0.0674","0.0434","","","0.1025","0.1164","","","","","","1.059","","","","has coordinates","207909","2020-10-21","18:00:00",""