# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T01:57:17+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 'Inorganics') AND volume = 8 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
"1557223","10.93","0.0004","14.2927","0.0006","19.2894","0.0008","70.366","0.003","86.491","0.003","73.206","0.003","2715","0.2","130","","130","","","","","","","","","9","P -1","-P 1","2","","","","- C55.6 H49 Br2 Cl2 Cu F6 N2 O1.9 P3 -","- C52 H40 Br2 Cl2 Cu F6 N2 O P3 -","- C104 H80 Br4 Cl4 Cu2 F12 N4 O2 P6 -","2","1","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.34143","GaKα","","0.0904","0.0858","","","0.2317","0.2384","","","","","","1.059","","","","has coordinates","247847","2020-10-21","18:00:00",""
"1557224","12.4032","0.0009","18.9805","0.0014","22.0591","0.0017","70.33","0.003","77.791","0.003","87.292","0.003","4777.9","0.6","130","","130","","","","","","","","","9","P -1","-P 1","2","","","","- C49 H36 Br2 Cl2 Cu F6 N2 O P3 -","- C48 H34 Br2 Cu F6 N2 O P3 -","- C192 H136 Br8 Cu4 F24 N8 O4 P12 -","4","2","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.54178","CuKα","","0.035","0.0327","","","0.0817","0.0834","","","","","","1.008","","","","has coordinates","247848","2020-10-21","18:00:00",""
"1557225","15.1949","0.001","18.5322","0.0012","18.5423","0.0013","107.867","0.002","104.444","0.002","101.088","0.002","4603.2","0.5","130","","130","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H39 Br2 Cu F6 N2 O1.5 P3 -","- C50 H39 Br2 Cu F6 N2 O1.5 P3 -","- C200 H156 Br8 Cu4 F24 N8 O6 P12 -","4","2","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.54178","CuKα","","0.0389","0.0369","","","0.0952","0.0971","","","","","","1.028","","","","has coordinates","247849","2020-10-21","18:00:00",""
"1557226","10.1768","0.0008","13.7504","0.0011","20.1505","0.0016","90.204","0.002","98.12","0.002","99.535","0.002","2751.9","0.4","130","","130","","","","","","","","","9","P -1","-P 1","2","","","","- C54.9 H47.2 Br2 Cl2.2 Cu F6 N2 O1.7 P3 -","- C54.9 H47.2 Br2 Cl2.2 Cu F6 N2 O1.7 P3 -","- C109.8 H94.4 Br4 Cl4.4 Cu2 F12 N4 O3.4 P6 -","2","1","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.54178","CuKα","","0.0391","0.0382","","","0.1093","0.1101","","","","","","1.073","","","","has coordinates,has disorder","247850","2020-10-21","18:00:00",""
"1557227","33.3182","0.0016","14.105","0.0006","11.8205","0.0005","90","","102.059","0.004","90","","5432.5","0.4","130","","130","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C52.1 H40.2 Br2 Cl2.2 Cu F6 N2 O P3 -","- C51 H38 Br2 Cu F6 N2 O P3 -","- C204 H152 Br8 Cu4 F24 N8 O4 P12 -","4","0.5","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.34143","GaKα","","0.0863","0.0728","","","0.1853","0.1973","","","","","","1.034","","","","has coordinates,has disorder","247851","2020-10-21","18:00:00",""
"1557742","5.8207","0.0003","11.2873","0.0005","6.3126","0.0004","90","","90","","90","","414.74","0.04","298","1","298","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H0.064 D0.936 O5 Sb -","- C2 H0.064 D0.936 O5 Sb -","- C8 H0.256 D3.744 O20 Sb4 -","4","0.5","","Kohlmann, Holger; Rauchmaul, Anne; Keilholz, Simon; Franz, Alexandra","Crystal Structure and Thermal Behavior of SbC2O4OH and SbC2O4OD","Inorganics","2020","8","3","21","","10.3390/inorganics8030021","powder diffraction","","1.79725","ConstantWavelengthNeutronDiffraction","","","","","","","","","6.1932","1.99","","","","","","","has coordinates","250385","2020-10-21","18:00:00",""
"1558002","30.24","0.006","3.9413","0.0008","20.418","0.004","90","","107.77","0.03","90","","2317.4","0.9","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 O3 S2 -","- C12 H10 O3 S2 -","- C96 H80 O24 S16 -","8","1","","Ahmadi, Mohsen; Correia, Jevy; Chrysochos, Nicolas; Schulzke, Carola","A Mixed-Valence Tetra-Nuclear Nickel Dithiolene Complex: Synthesis, Crystal Structure, and the Lability of Its Nickel Sulfur Bonds","Inorganics","2020","8","4","27","","10.3390/inorganics8040027","","","0.71073","MoKα","","0.0944","0.0501","","","0.1103","0.1292","","","","","","0.94","","","","has coordinates","251746","2020-10-21","18:00:00",""
"1558003","13.588","0.003","19.062","0.004","16.764","0.003","90","","100.11","0.03","90","","4274.7","1.6","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H74 K2 N2 Ni4 O14 S12 -","- C72 H74 K2 N2 Ni4 O14 S12 -","- C144 H148 K4 N4 Ni8 O28 S24 -","2","0.5","","Ahmadi, Mohsen; Correia, Jevy; Chrysochos, Nicolas; Schulzke, Carola","A Mixed-Valence Tetra-Nuclear Nickel Dithiolene Complex: Synthesis, Crystal Structure, and the Lability of Its Nickel Sulfur Bonds","Inorganics","2020","8","4","27","","10.3390/inorganics8040027","","","0.71073","MoKα","","0.1006","0.0568","","","0.1466","0.1668","","","","","","0.921","","","","has coordinates,has disorder","251747","2020-10-21","18:00:00",""
"1558185","10.4786","0.0003","18.9864","0.0004","22.1096","0.0005","90","","100.077","0.002","90","","4330.87","0.18","130","","130","","","","","","","","Marco Meyer","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H37 Cl Cu F6 N2 O P3 -","- C47 H37 Cl Cu F6 N2 O P3 -","- C188 H148 Cl4 Cu4 F24 N8 O4 P12 -","4","1","","Meyer, Marco; Brunner, Fabian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Chimera Diimine Ligands in Emissive [Cu(P^P)(N^N)][PF6] Complexes","Inorganics","2020","8","5","33","","10.3390/inorganics8050033","","","1.34143","GaKα","","0.1124","0.1124","","0.0443","0.0443","0.0443","","","","","","1.0315","","","","has coordinates,has disorder","252936","2020-10-21","18:00:00",""
"1558186","11.4363","0.0006","14.0871","0.0006","14.803","0.0007","89.133","0.004","68.457","0.004","88.73","0.004","2217.62","0.19","130","","130","","","","","","","","Marco Meyer","8","P -1","-P 1","2","","","","- C50 H41 Cl Cu F6 N2 O P3 -","- C50 H41 Cl Cu F6 N2 O P3 -","- C100 H82 Cl2 Cu2 F12 N4 O2 P6 -","2","1","","Meyer, Marco; Brunner, Fabian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Chimera Diimine Ligands in Emissive [Cu(P^P)(N^N)][PF6] Complexes","Inorganics","2020","8","5","33","","10.3390/inorganics8050033","","","1.34143","GaKα","","0.1112","0.1112","","0.0483","0.0483","0.0466","","","","","","0.9937","","","","has coordinates,has disorder","252937","2020-10-21","18:00:00",""
"1558187","9.3351","0.0005","18.4709","0.0009","14.3598","0.0007","90","","93.846","0.001","90","","2470.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 N O Sn -","- C29 H27 N O Sn -","- C116 H108 N4 O4 Sn4 -","4","1","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.0281","0.0212","","","0.0423","0.0452","","","","","","1.105","","","","has coordinates","252938","2020-10-21","18:00:00",""
"1558188","9.1303","0.0004","9.302","0.0004","24.2461","0.0011","90.942","0.001","91.775","0.001","91.724","0.001","2056.99","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 Cl N O Sn -","- C23 H22 Cl N O Sn -","- C92 H88 Cl4 N4 O4 Sn4 -","4","2","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.0255","0.0205","","","0.0398","0.0413","","","","","","1.096","","","","has coordinates","252939","2020-10-21","18:00:00",""
"1558189","10.5295","0.0007","10.0336","0.0005","17.1396","0.0011","90","","96.677","0.002","90","","1798.5","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Br2 N O Sn -","- C17 H17 Br2 N O Sn -","- C68 H68 Br8 N4 O4 Sn4 -","4","1","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.0358","0.0219","","","0.0383","0.0422","","","","","","1.052","","","","has coordinates,has disorder","252940","2020-10-21","18:00:00",""
"1558190","8.453","0.0005","10.2368","0.0005","11.7987","0.0007","93.059","0.002","101.936","0.002","108.325","0.002","940.5","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Br2 N O Sn -","- C18 H19 Br2 N O Sn -","- C36 H38 Br4 N2 O2 Sn2 -","2","1","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.025","0.0183","","","0.0358","0.0387","","","","","","1.115","","","","has coordinates","252941","2020-10-21","18:00:00",""
"1558191","8.4502","0.0002","18.9557","0.0005","31.5231","0.0009","90","","90","","90","","5049.4","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 N O Sn -","- C30 H29 N O Sn -","- C240 H232 N8 O8 Sn8 -","8","2","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.0449","0.0316","","","0.0485","0.0517","","","","","","0.987","","","","has coordinates","252942","2020-10-21","18:00:00",""
"1558192","19.422","0.002","22.654","0.003","25.321","0.003","115.783","0.004","92.992","0.005","106.118","0.005","9443","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C133 H101 Cl5 I3 N9 Ni12 O35 -","- C133 H87 Cl5 I3 N9 Ni12 O35 -","- C266 H174 Cl10 I6 N18 Ni24 O70 -","2","1","","Perlepe, Panagiota S.; Pantelis, Konstantinos N.; Cunha-Silva, Luís; Bekiari, Vlasoula; Escuer, Albert; Stamatatos, Theocharis C.","Rare Nuclearities in Ni(II) Cluster Chemistry: An Unprecedented {Ni12} Nanosized Cage from the Use of N-Naphthalidene-2-Amino-5-Chlorobenzoic Acid","Inorganics","2020","8","5","32","","10.3390/inorganics8050032","","","0.71073","MoKα","","0.1221","0.0872","","","0.2099","0.2361","","","","","","1.04","","","","has coordinates","252943","2020-10-21","18:00:00",""
"1558993","9.2947","0.0002","18.5982","0.0005","18.3144","0.0004","90","","90.534","0.002","90","","3165.78","0.13","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H53 Ag2 N9 O6 P4 -","- C62 H53 Ag2 N9 O6 P4 -","- C124 H106 Ag4 N18 O12 P8 -","2","0.5","","Artem’ev, Alexander V.; Davydova, Maria P.; Berezin, Alexey S.; Samsonenko, Denis G.","Synthesis and Thermochromic Luminescence of Ag(I) Complexes Based on 4,6-Bis(diphenylphosphino)-Pyrimidine","Inorganics","2020","8","9","46","","10.3390/inorganics8090046","","x-ray","0.71073","MoKα","","0.0805","0.0634","","","0.1687","0.1797","","","","","","1.064","","","","has coordinates,has disorder","256193","2020-10-21","18:00:00",""
"1558994","13.2478","0.0004","15.6986","0.0004","19.701","0.0005","90","","90","","90","","4097.25","0.19","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 Ag2 B2 F8 N6 P2 -","- C36 H34 Ag2 B2 F8 N6 P2 -","- C144 H136 Ag8 B8 F32 N24 P8 -","4","1","","Artem’ev, Alexander V.; Davydova, Maria P.; Berezin, Alexey S.; Samsonenko, Denis G.","Synthesis and Thermochromic Luminescence of Ag(I) Complexes Based on 4,6-Bis(diphenylphosphino)-Pyrimidine","Inorganics","2020","8","9","46","","10.3390/inorganics8090046","","x-ray","0.71073","MoKα","","0.0306","0.026","","","0.0535","0.0557","","","","","","1.022","","","","has coordinates,has disorder","256194","2020-10-21","18:00:00",""
"1559473","6.7784","0.0002","6.7175","0.0002","8.6991","0.0003","90","","90","","90","","396.1","0.02","248","","248","","","","","","","","","4","P n c 2","P 2 -2bc","30","Diammine_Barium_Borohydride","","","- B2 Ba H14 N2 -","- B2 Ba H14 N2 -","- B4 Ba2 H28 N4 -","2","0.5","","Grinderslev, Jakob B.; Amdisen, Mads B.; Jensen, Torben R.","Synthesis, Crystal Structures and Thermal Properties of Ammine Barium Borohydrides","Inorganics","2020","8","10","57","","10.3390/inorganics8100057","powder diffraction","","","Synchrotron","","","","","","","","","2.028","2279.3","","","","","","","has coordinates","259003","2020-11-06","16:21:41",""
"1559474","5.08626","0.00008","9.37609","0.00016","12.9631","0.0002","90","","90","","90","","618.2","0.017","368","","368","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Monoammine_barium_borohydride","","","- B2 Ba H11 N -","- B2 Ba H11 N -","- B8 Ba4 H44 N4 -","4","1","","Grinderslev, Jakob B.; Amdisen, Mads B.; Jensen, Torben R.","Synthesis, Crystal Structures and Thermal Properties of Ammine Barium Borohydrides","Inorganics","2020","8","10","57","","10.3390/inorganics8100057","powder diffraction","","","Synchrotron","","","","","","","","","3.0385","1528.14","","","","","","","has coordinates","277994","2022-09-20","08:32:41",""