# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-25T17:00:28+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 = 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
"1556446","6.20008","0.00014","7.0452","0.0002","12.577","0.0003","76.531","0.002","78.842","0.002","84.574","0.002","523.46","0.02","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H22 I6 N2 -","- C8 H22 I6 N2 -","- C8 H22 I6 N2 -","1","0.5","","Van Megen, M.; Reiss, G.J.","I62- Anion Composed of Two Asymmetric Triiodide Moieties: A Competition between Halogen and Hydrogen Bond","Inorganics","2013","1","","3","13","10.3390/inorganics1010003","","","0.71073","MoKα","","0.0355","0.0341","","","0.0885","0.0888","","","","","","1.668","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556447","17.7754","0.0003","13.2405","0.0002","22.6972","0.0004","90","","96.4561","0.0007","90","","5308.03","0.15","296","1","296","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H46 Cl2 N6 O8 P2 Ru -","- C59 H49 Cl2 N6 O8 P2 Ru -","- C236 H196 Cl8 N24 O32 P8 Ru4 -","4","0.5","","Oyama, D.; Fukuda, A.; Yamanaka, T.; Takase, T.","Facile and Selective Synthetic Approach for Ruthenium Complexes Utilizing a Molecular Sieve Effect in the Supporting Ligand","Inorganics","2013","1","","32","45","10.3390/inorganics1010032","","","0.71075","MoKα","","","0.0444","","","","0.1292","","","","","","1.05","","","","has coordinates","244946","2020-10-21","18:00:00",""
"1556448","17.1743","0.0004","16.1763","0.0004","21.079","0.0004","90","","97.8336","0.0007","90","","5801.4","0.2","296","1","296","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H48 F12 N6 P4 Ru -","- C64 H48 F12 N6 P4 Ru -","- C256 H192 F48 N24 P16 Ru4 -","4","1","","Oyama, D.; Fukuda, A.; Yamanaka, T.; Takase, T.","Facile and Selective Synthetic Approach for Ruthenium Complexes Utilizing a Molecular Sieve Effect in the Supporting Ligand","Inorganics","2013","1","","32","45","10.3390/inorganics1010032","","","0.71075","MoKα","","","0.058","","","","0.2164","","","","","","1.126","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556449","26.4297","0.0005","16.2228","0.0003","19.4965","0.0004","90","","114.998","0.0007","90","","7576.3","0.3","173","1","173","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H35 Cl2 N6 O2 P Ru -","- C41 H30 Cl2 N6 O1.5 P Ru -","- C328 H240 Cl16 N48 O12 P8 Ru8 -","8","1","","Oyama, D.; Fukuda, A.; Yamanaka, T.; Takase, T.","Facile and Selective Synthetic Approach for Ruthenium Complexes Utilizing a Molecular Sieve Effect in the Supporting Ligand","Inorganics","2013","1","","32","45","10.3390/inorganics1010032","","","0.71075","MoKα","","","0.0311","","","","0.0803","","","","","","1.038","","","","has coordinates","244948","2020-10-21","18:00:00",""
"1556450","9.839","0.002","12.426","0.003","19.947","0.005","106.347","0.005","96.476","0.004","98.785","0.004","2281.3","0.9","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H55 I2 N2 Nd O P2 Si2 -","- C42 H55 I2 N2 Nd O P2 Si2 -","- C84 H110 I4 N4 Nd2 O2 P4 Si4 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.0505","0.0461","","","0.0898","0.0915","","","","","","1.305","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556451","16.1695","0.0008","19.5199","0.0012","14.1982","0.0008","90","","99.491","0.005","90","","4420","0.4","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H55 Gd I2 N2 O2 P2 Si2 -","- C39 H55 Gd I2 N2 O2 P2 Si2 -","- C156 H220 Gd4 I8 N8 O8 P8 Si8 -","4","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.0951","0.0589","","","0.13","0.1518","","","","","","1.033","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""
"1556452","16.142","0.002","19.415","0.003","14.134","0.002","90","","99.341","0.002","90","","4370.8","1.1","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H55 I2 N2 O2 P2 Si2 Tb -","- C39 H55 I2 N2 O2 P2 Si2 Tb -","- C156 H220 I8 N8 O8 P8 Si8 Tb4 -","4","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.0468","0.042","","","0.1101","0.1144","","","","","","1.038","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""
"1556453","36.332","0.002","12.8545","0.0004","21.682","0.0013","90","","122.332","0.009","90","","8556.2","1.1","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76 H94 I4 La2 N4 P4 Si4 -","- C76 H94 I4 La2 N4 P4 Si4 -","- C304 H376 I16 La8 N16 P16 Si16 -","4","0.5","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.0771","0.057","","","0.146","0.158","","","","","","1.04","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""
"1556454","12.7851","0.0006","15.122","0.0008","17.2635","0.0009","85.091","0.002","76.608","0.002","87.266","0.002","3233.7","0.3","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H83 Gd I2 N2 O2 P2 -","- C72 H83 Gd I2 N2 O2 P2 -","- C144 H166 Gd2 I4 N4 O4 P4 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.0475","0.0419","","","0.109","0.114","","","","","","1.05","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""
"1556455","12.209","0.003","13.057","0.003","17.56","0.005","80.744","0.004","75.234","0.004","77.456","0.004","2625.7","1.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H75 I2 N2 O P2 Yb -","- C47 H51 I2 N2 O P2 Yb -","- C94 H102 I4 N4 O2 P4 Yb2 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.1439","0.1097","","","0.2865","0.3027","","","","","","1.065","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556456","17.2957","0.0011","18.9502","0.0015","21.6886","0.0015","75.525","0.006","74.875","0.006","73.945","0.006","6472.4","0.8","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C157 H161 Dy N6 P6 -","- C157 H161 Dy N6 P6 -","- C314 H322 Dy2 N12 P12 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.0461","0.0387","","","0.0896","0.0939","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556457","16.895","0.003","19.82","0.004","21.149","0.004","76.79","0.03","78.76","0.03","83.9","0.03","6748","2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C164 H169 Er N6 P6 -","- C164 H169 Er N6 P6 -","- C328 H338 Er2 N12 P12 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.0761","0.0577","","","0.127","0.134","","","","","","1.11","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556458","13.0112","0.0011","15.231","0.0011","17.0292","0.0012","82.761","0.006","74.997","0.007","87.043","0.007","3233.1","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H83 I2 La N4 P2 -","- C70 H83 I2 La N4 P2 -","- C140 H166 I4 La2 N8 P4 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.067","0.058","","","0.153","0.164","","","","","","1.04","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556459","26.77","0.002","18.9186","0.0016","22.445","0.002","90","","90","","90","","11367.3","1.6","90","2","90","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C63 H75 Gd I2 N4 P2 -","- C63 H75 Gd I2 N4 P2 -","- C504 H600 Gd8 I16 N32 P16 -","8","0.5","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.0483","0.0314","","","0.0687","0.0758","","","","","","1.04","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""
"1556460","14.9196","0.0011","15.179","0.003","21.622","0.002","71.398","0.013","75.826","0.008","77.368","0.01","4446.6","1.1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C107 H109 La N4 P4 -","- C100 H101 La N4 P4 -","- C200 H202 La2 N8 P8 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.0655","0.0599","","","0.153","0.157","","","","","","1.06","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556461","13.6367","0.0015","21.346","0.002","29.1","0.003","97.388","0.002","92.382","0.002","97.146","0.002","8320.8","1.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H113 Ce N4 P4 -","- C86 H85 Ce N4 P4 -","- C344 H340 Ce4 N16 P16 -","4","2","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.149","0.122","","","0.274","0.285","","","","","","1.1","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556462","14.8733","0.0002","15.2027","0.0002","21.641","0.0003","71.3195","0.0014","75.5504","0.0012","77.6266","0.0014","4440.51","0.11","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C107 H109 N4 P4 Pr -","- C93 H93 N4 P4 Pr -","- C186 H186 N8 P8 Pr2 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.0708","0.0676","","","0.178","0.182","","","","","","1.05","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556463","14.735","0.0008","15.2646","0.001","21.6185","0.0013","70.916","0.006","75.272","0.005","77.458","0.005","4396.2","0.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H117 Gd N4 P4 -","- C93 H93 Gd N4 P4 -","- C186 H186 Gd2 N8 P8 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.1632","0.1208","","","0.2985","0.3309","","","","","","1.022","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""