# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T03:38:53+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 'Inorganics') AND volume = 7 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
"1556417","9.331","0.0002","9.4169","0.0002","14.0477","0.0003","90.693","0.002","103.321","0.002","113.757","0.002","1091.71","0.05","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H29 B9 O4 Ru -","- C16 H29 B9 O4 Ru -","- C32 H58 B18 O8 Ru2 -","2","1","","Gozzi, M.; Schwarze, B.; Coburger, P.; Hey-Hawkins, E.","On the Aqueous Solution Behavior of C-Substituted 3,1,2-Ruthenadicarbadodecaboranes","Inorganics","2019","7","","91","","10.3390/inorganics7070091","","","0.71073","MoKα","","0.0311","0.0257","","","0.0581","0.0603","","","","","","1.063","","","","has coordinates","244884","2020-10-21","18:00:00",""
"1556418","10.135","0.009","18.687","0.014","19.155","0.015","90","","104.73","0.02","90","","3509","5","100","","100","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 Al B2 N4 -","- C31 H55 Al B2 N4 -","- C124 H220 Al4 B8 N16 -","4","1","","Weetman, C.; Ito, N.; Unno, M.; Hanusch, F.; Inoue, S.","NHI- and NHC-Supported Al(III) Hydrides for Amine-Borane Dehydrocoupling Catalysis","Inorganics","2019","7","","92","","10.3390/inorganics7080092","","x-ray","0.71073","MoKα","","0.0877","0.0574","","","0.1194","0.1319","","","","","","1.059","","","","has coordinates,has disorder","244885","2020-10-21","18:00:00",""
"1556419","11.90994","0.00006","13.21619","0.00007","26.83905","0.00013","90","","97.6274","0.0004","90","","4187.2","0.04","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 B Cu N P S -","- C23 H22 B Cu N P S -","- C184 H176 B8 Cu8 N8 P8 S8 -","8","1","","Goldsworthy, J.; Thomas, S.D.; Tizzard, G.J.; Coles, S.J.; Owen, G.R.","Adding to the Family of Copper Complexes Featuring Borohydride Ligands Based on 2-Mercaptopyridyl Units","Inorganics","2019","7","","93","","10.3390/inorganics7080093","","x-ray","1.54178","CuKα","","0.0246","0.0244","","","0.0662","0.0664","","","","","","1.072","","","","has coordinates,has disorder","244886","2020-10-21","18:00:00",""
"1556420","8.1672","0.0001","9.3837","0.0001","17.2612","0.0002","96.939","0.001","95.617","0.001","112.373","0.001","1199.33","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H40 B Cu N P S -","- C23 H40 B Cu N P S -","- C46 H80 B2 Cu2 N2 P2 S2 -","2","1","","Goldsworthy, J.; Thomas, S.D.; Tizzard, G.J.; Coles, S.J.; Owen, G.R.","Adding to the Family of Copper Complexes Featuring Borohydride Ligands Based on 2-Mercaptopyridyl Units","Inorganics","2019","7","","93","","10.3390/inorganics7080093","","x-ray","1.54178","CuKα","","0.0239","0.0236","","","0.0625","0.0628","","","","","","1.052","","","","has coordinates,has disorder","244887","2020-10-21","18:00:00",""
"1556421","16.0206","0.0003","24.7785","0.0005","16.9022","0.0004","90","","90","","90","","6709.6","0.2","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H47 Al N2 -","- C39 H47 Al N2 -","- C312 H376 Al8 N16 -","8","1","","Ito, S.; Tanaka, K.; Chujo, Y.","Characterization and Photophysical Properties of a Luminescent Aluminum Hydride Complex Supported by a beta-Diketiminate Ligand","Inorganics","2019","7","","100","","10.3390/inorganics7080100","","","0.71075","MoKα","","0.0535","0.0428","","","0.1001","0.1055","","","","","","1.048","","","","has coordinates","244893","2020-10-21","18:00:00",""
"1556422","14.4924","0.001","11.1385","0.0007","22.2237","0.0013","90","","91.562","0.007","90","","3586.1","0.4","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H38 Cl2 Cu N6 O12 -","- C28 H38 Cl2 Cu N6 O12 -","- C112 H152 Cl8 Cu4 N24 O48 -","4","0.5","","Rancan, M.; Carlotto, A.; Bottaro, G.; Armelao, L.","Effect of Coordinating Solvents on the Structure of Cu(II)-4,4'-bipyridine Coordination Polymers","Inorganics","2019","7","","103","","10.3390/inorganics7080103","","x-ray","0.71073","MoKα","","0.0686","0.0576","","","0.1686","0.1804","","","","","","1.117","","","","has coordinates","244894","2020-10-21","18:00:00",""
"1556423","10.2921","0.0004","15.7544","0.0004","15.3205","0.0005","90","","106.641","0.004","90","","2380.11","0.14","301","3","301","3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 Cl2 Cu N10 O10 -","- C46 H46 Cl2 Cu N10 O10 -","- C92 H92 Cl4 Cu2 N20 O20 -","2","0.5","","Rancan, M.; Carlotto, A.; Bottaro, G.; Armelao, L.","Effect of Coordinating Solvents on the Structure of Cu(II)-4,4'-bipyridine Coordination Polymers","Inorganics","2019","7","","103","","10.3390/inorganics7080103","","x-ray","0.71073","MoKα","","0.0384","0.0338","","","0.0914","0.0951","","","","","","1.024","","","","has coordinates","244895","2020-10-21","18:00:00",""
"1556424","12.9264","0.0005","11.1702","0.0004","15.0564","0.001","90","","106.559","0.006","90","","2083.84","0.19","301.2","0.8","301.2","0.8","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C40 H36 Cl2 Cu N8 O11 -","- C40 H36 Cl2 Cu N8 O11 -","- C80 H72 Cl4 Cu2 N16 O22 -","2","0.5","","Rancan, M.; Carlotto, A.; Bottaro, G.; Armelao, L.","Effect of Coordinating Solvents on the Structure of Cu(II)-4,4'-bipyridine Coordination Polymers","Inorganics","2019","7","","103","","10.3390/inorganics7080103","","x-ray","0.71073","MoKα","","0.0522","0.0473","","","0.1279","0.1334","","","","","","1.081","","","","has coordinates","244896","2020-10-21","18:00:00",""
"1556425","17.9524","0.0017","11.0913","0.0007","16.3512","0.0015","90","","100.154","0.008","90","","3204.8","0.5","299.6","0.6","299.6","0.6","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C20 H34 Cl2 Cu N4 O12 S2 -","- C20 H34 Cl2 Cu N4 O12 S2 -","- C80 H136 Cl8 Cu4 N16 O48 S8 -","4","0.5","","Rancan, M.; Carlotto, A.; Bottaro, G.; Armelao, L.","Effect of Coordinating Solvents on the Structure of Cu(II)-4,4'-bipyridine Coordination Polymers","Inorganics","2019","7","","103","","10.3390/inorganics7080103","","x-ray","0.71073","MoKα","","0.0427","0.034","","","0.0843","0.0902","","","","","","1.035","","","","has coordinates,has disorder","244897","2020-10-21","18:00:00",""
"1556426","12.1642","0.0012","12.1642","0.0012","26.953","0.003","90","","90","","90","","3988.2","0.7","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C38 H58 P2 Si2 Th -","- C38 H58 P2 Si2 Th -","- C152 H232 P8 Si8 Th4 -","4","0.5","","Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R.","Thorium(IV) and Uranium(IV) Phosphaazaallenes","Inorganics","2019","7","","105","","10.3390/inorganics7090105","","","0.71073","MoKα","","0.0229","0.0203","","","0.0416","0.0424","","","","","","1.077","","","","has coordinates","244923","2020-10-21","18:00:00",""
"1556427","12.0767","0.0011","12.0767","0.0011","26.931","0.003","90","","90","","90","","3927.8","0.7","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C38 H58 P2 Si2 U -","- C38 H58 P2 Si2 U -","- C152 H232 P8 Si8 U4 -","4","0.5","","Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R.","Thorium(IV) and Uranium(IV) Phosphaazaallenes","Inorganics","2019","7","","105","","10.3390/inorganics7090105","","","0.71073","MoKα","","0.0212","0.0166","","","0.032","0.033","","","","","","0.983","","","","has coordinates","244924","2020-10-21","18:00:00",""
"1556428","10.0829","0.001","33.981","0.003","10.7807","0.0011","90","","107.839","0.0017","90","","3516.2","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H53 N2 P Th -","- C36 H53 N2 P Th -","- C144 H212 N8 P4 Th4 -","4","1","","Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R.","Thorium(IV) and Uranium(IV) Phosphaazaallenes","Inorganics","2019","7","","105","","10.3390/inorganics7090105","","","0.71073","MoKα","","0.0747","0.0594","","","0.1114","0.1147","","","","","","1.36","","","","has coordinates,has disorder","244925","2020-10-21","18:00:00",""
"1556429","10.0337","0.0004","33.6762","0.0014","10.7644","0.0004","90","","107.477","0.001","90","","3469.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H53 N2 P U -","- C36 H53 N2 P U -","- C144 H212 N8 P4 U4 -","4","1","","Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R.","Thorium(IV) and Uranium(IV) Phosphaazaallenes","Inorganics","2019","7","","105","","10.3390/inorganics7090105","","","0.71073","MoKα","","0.0376","0.0264","","","0.0437","0.0459","","","","","","1.062","","","","has coordinates","244926","2020-10-21","18:00:00",""
"1556430","6.9224","0.0007","8.8551","0.0009","21.377","0.002","90","","90","","90","","1310.4","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H13 N O -","- C20 H13 N O -","- C80 H52 N4 O4 -","4","1","","Tsukao, M.; Hashikawa, Y.; Toyama, N.; Muraoka, M.; Murata, M.; Sasamori, T.; Wakamiya, A.; Murata, Y.","Propeller-Shaped Aluminum Complexes with an Azaperylene Core in the Ligands","Inorganics","2019","7","","109","","10.3390/inorganics7090109","","","0.71073","MoKα","","0.028","0.0268","","","0.0709","0.0719","","","","","","1.059","","","","has coordinates","244927","2020-10-21","18:00:00",""
"1556431","34.0652","0.0003","34.0652","0.0003","18.1656","0.0002","90","","90","","120","","18255.9","0.3","83","2","83","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C354.9 H199.8 Al6 Cl1.8 N24 O18 -","- C354.9 H199.8 Al6 Cl1.8 N24 O18 -","- C1064.7 H599.4 Al18 Cl5.4 N72 O54 -","3","0.166667","","Tsukao, M.; Hashikawa, Y.; Toyama, N.; Muraoka, M.; Murata, M.; Sasamori, T.; Wakamiya, A.; Murata, Y.","Propeller-Shaped Aluminum Complexes with an Azaperylene Core in the Ligands","Inorganics","2019","7","","109","","10.3390/inorganics7090109","","","0.78224","synchrotron","","0.0957","0.0791","","","0.2134","0.2317","","","","","","1.124","","","","has coordinates,has disorder","244928","2020-10-21","18:00:00",""
"1556432","19.195","0.003","8.503","0.0013","30.611","0.005","90","","90","","90","","4996.2","1.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C33 H26 N2 O3 -","- C33 H26 N2 O3 -","- C264 H208 N16 O24 -","8","2","","Tsukao, M.; Hashikawa, Y.; Toyama, N.; Muraoka, M.; Murata, M.; Sasamori, T.; Wakamiya, A.; Murata, Y.","Propeller-Shaped Aluminum Complexes with an Azaperylene Core in the Ligands","Inorganics","2019","7","","109","","10.3390/inorganics7090109","","","0.71073","MoKα","","0.0659","0.0455","","","0.1057","0.1185","","","","","","1.013","","","","has coordinates,has disorder","244929","2020-10-21","18:00:00",""
"1556433","7.354","0.004","7.723","0.004","12.601","0.006","94.767","0.007","98.204","0.007","115.566","0.006","630.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H21 Al N2 S2 -","- C10 H20 Al N2 S2 -","- C20 H40 Al2 N4 S4 -","2","1","","Yang, X.; Lunsford, A.; Darensbourg, M.Y.","Connecting Main-Group Metals (Al, Ga, In) and Tungsten(0) Carbonyls via the N2S2 Metallo-Ligand Strategy","Inorganics","2019","7","","115","","10.3390/inorganics7090115","","","0.71073","MoKα","","0.1185","0.0733","","","0.1248","0.1386","","","","","","1.25","","","","has coordinates","244930","2020-10-21","18:00:00",""
"1556434","7.3341","0.0005","7.6637","0.0005","12.6658","0.0009","94.557","0.002","98.228","0.002","114.796","0.002","631.86","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H18 Cl Ga N2 S2 -","- C9 H18 Cl Ga N2 S2 -","- C18 H36 Cl2 Ga2 N4 S4 -","2","1","","Yang, X.; Lunsford, A.; Darensbourg, M.Y.","Connecting Main-Group Metals (Al, Ga, In) and Tungsten(0) Carbonyls via the N2S2 Metallo-Ligand Strategy","Inorganics","2019","7","","115","","10.3390/inorganics7090115","","x-ray","1.54178","CuKα","","0.05","0.0498","","","0.1389","0.1392","","","","","","1.04","","","","has coordinates","244931","2020-10-21","18:00:00",""
"1556435","12.7424","0.0006","7.3373","0.0003","15.3561","0.0007","90","","114.107","0.001","90","","1310.5","0.1","143","2","143.19","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Cl In N2 S2 -","- C9 H18 Cl In N2 S2 -","- C36 H72 Cl4 In4 N8 S8 -","4","1","","Yang, X.; Lunsford, A.; Darensbourg, M.Y.","Connecting Main-Group Metals (Al, Ga, In) and Tungsten(0) Carbonyls via the N2S2 Metallo-Ligand Strategy","Inorganics","2019","7","","115","","10.3390/inorganics7090115","","x-ray","1.54178","CuKα","","0.0277","0.0275","","","0.0716","0.072","","","","","","1.198","","","","has coordinates","276143","2022-06-22","06:24:15",""
"1556436","8.2266","0.0011","19.245","0.002","12.8581","0.0018","90","","95.932","0.008","90","","2024.8","0.4","100","","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cl Ga N2 O5 S2 W -","- C14 H18 Cl Ga N2 O5 S2 W -","- C56 H72 Cl4 Ga4 N8 O20 S8 W4 -","4","1","","Yang, X.; Lunsford, A.; Darensbourg, M.Y.","Connecting Main-Group Metals (Al, Ga, In) and Tungsten(0) Carbonyls via the N2S2 Metallo-Ligand Strategy","Inorganics","2019","7","","115","","10.3390/inorganics7090115","","x-ray","1.54184","CuKα","","0.0344","0.032","","","0.0781","0.08","","","","","","1.026","","","","has coordinates,has disorder","244933","2020-10-21","18:00:00",""
"1556437","18.7674","0.0009","18.103","0.0008","17.593","0.0007","90","","90","","90","","5977.2","0.5","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H44 Co N4 Si4 -","- C22 H44 Co N4 Si4 -","- C176 H352 Co8 N32 Si32 -","8","2","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","","0.71073","MoKα","","0.0307","0.028","","","0.067","0.0679","","","","","","1.014","","","","has coordinates","244934","2020-10-21","18:00:00",""
"1556438","10.8097","0.0005","13.2648","0.0006","19.9051","0.001","77.712","0.002","80.199","0.002","83.606","0.002","2739.7","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H84 Co K N4 O8 Si4 -","- C42 H84 Co K N4 O8 Si4 -","- C84 H168 Co2 K2 N8 O16 Si8 -","2","1","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","x-ray","0.71073","MoKα","","0.0779","0.042","","","0.0738","0.083","","","","","","1.017","","","","has coordinates,has disorder","244935","2020-10-21","18:00:00",""
"1556439","11.6269","0.0002","21.5546","0.0004","21.856","0.0004","95.633","0.002","89.892","0.001","90.377","0.002","5450.83","0.17","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H84 Cr K N4 O8 Si4 -","- C42 H84 Cr K N4 O8 Si4 -","- C168 H336 Cr4 K4 N16 O32 Si16 -","4","2","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","","0.71073","MoKα","","0.0675","0.0563","","","0.1447","0.1502","","","","","","1.075","","","","has coordinates","244936","2020-10-21","18:00:00",""
"1556440","10.8613","0.0005","13.2627","0.0006","19.8669","0.0009","77.597","0.001","80.062","0.002","83.452","0.002","2744.3","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H84 Fe K N4 O8 Si4 -","- C42 H84 Fe K N4 O8 Si4 -","- C84 H168 Fe2 K2 N8 O16 Si8 -","2","1","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","x-ray","0.71073","MoKα","","0.0384","0.028","","","0.0634","0.0675","","","","","","1.06","","","","has coordinates,has disorder","244937","2020-10-21","18:00:00",""
"1556441","34.8403","0.0017","18.4715","0.0011","14.5302","0.0008","90","","96.555","0.004","90","","9289.8","0.9","150","","150","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C34 H68 K Mn N4 O6 Si4 -","- C34 H68 K Mn N4 O6 Si4 -","- C272 H544 K8 Mn8 N32 O48 Si32 -","8","2","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","","0.71073","MoKα","","0.0512","0.0368","","","0.0753","0.0786","","","","","","0.911","","","","has coordinates,has disorder","244938","2020-10-21","18:00:00",""
"1556442","12.1899","0.0007","18.4365","0.001","22.8273","0.0013","90","","95.423","0.002","90","","5107.2","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H78 K N4 O7 Si4 Zn -","- C38 H78 K N4 O7 Si4 Zn -","- C152 H312 K4 N16 O28 Si16 Zn4 -","4","1","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","x-ray","0.71073","MoKα","","0.1506","0.1281","","","0.2499","0.2596","","","","","","1.086","","","","has coordinates,has disorder","244939","2020-10-21","18:00:00",""
"1556443","18.8806","0.0012","18.056","0.0013","17.6133","0.0017","90","","90","","90","","6004.5","0.8","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H44 N4 Si4 Zn -","- C22 H44 N4 Si4 Zn -","- C176 H352 N32 Si32 Zn8 -","8","2","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","","0.71073","MoKα","","0.0445","0.034","","","0.07","0.0718","","","","","","0.969","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1556444","9.2195","0.0006","5.7344","0.0004","32.1204","0.0016","90","","93.209","0.003","90","","1695.49","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 I2 N8 O8 S2 -","- C32 H18 I2 N8 O8 S2 -","- C64 H36 I4 N16 O16 S4 -","2","0.5","","Hardin, A.E.S.; Ellington, T.L.; Nguyen, S.T.; Rheingold, A.L.; Tschumper, G.S.; Watkins, D.L.; Hammer, N.I.","A Raman Spectroscopic and Computational Study of New Aromatic Pyrimidine-Based Halogen Bond Acceptors","Inorganics","2019","7","","119","","10.3390/inorganics7100119","","x-ray","0.71073","MoKα","K-L~3~","0.047","0.0438","","","0.1022","0.104","","","","","","1.164","","","","has coordinates,has disorder","244941","2020-10-21","18:00:00",""
"1556445","6.9398","0.001","16.126","0.002","18.517","0.003","79.34","0.004","80.01","0.004","89.242","0.004","2005.2","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H9 I N4 O5 -","- C16 H9 I N4 O5 -","- C64 H36 I4 N16 O20 -","4","2","","Hardin, A.E.S.; Ellington, T.L.; Nguyen, S.T.; Rheingold, A.L.; Tschumper, G.S.; Watkins, D.L.; Hammer, N.I.","A Raman Spectroscopic and Computational Study of New Aromatic Pyrimidine-Based Halogen Bond Acceptors","Inorganics","2019","7","","119","","10.3390/inorganics7100119","","x-ray","0.71073","MoKα","K-L~3~","0.0672","0.0484","","","0.1119","0.122","","","","","","1.043","","","","has coordinates","244942","2020-10-21","18:00:00",""
"1556622","14.0474","0.0011","17.4236","0.0014","18.3028","0.0013","90","","109.786","0.002","90","","4215.3","0.6","123","","123","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Cu F6 N O P3 S -","- C45 H41 Cu F6 N O P3 S -","- C180 H164 Cu4 F24 N4 O4 P12 S4 -","4","1","","Nohara, I.; Prescimone, A.; Housecroft, C.E.; Constable, E.C.","Softening the Donor-Set: From [Cu(P^P)(N^N)][PF6] to [Cu(P^P)(N^S)][PF6]","Inorganics","2019","7","","11","","10.3390/inorganics7010011","","","1.5418","CuKα","","0.0762","0.0743","","0.1728","0.1724","0.1728","","","","","","0.9944","","","","has coordinates,has disorder","245259","2020-10-21","18:00:00",""
"1556623","13.8102","0.0004","18.4985","0.0006","18.0974","0.0006","90","","107.745","0.0016","90","","4403.3","0.2","123","","123","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H43 Cu F6 N O P3 S -","- C46 H43 Cu F6 N O P3 S -","- C184 H172 Cu4 F24 N4 O4 P12 S4 -","4","1","","Nohara, I.; Prescimone, A.; Housecroft, C.E.; Constable, E.C.","Softening the Donor-Set: From [Cu(P^P)(N^N)][PF6] to [Cu(P^P)(N^S)][PF6]","Inorganics","2019","7","","11","","10.3390/inorganics7010011","","","1.54178","CuKα","","0.0617","0.053","","0.1388","0.135","0.1388","","","","","","0.9911","","","","has coordinates","245260","2020-10-21","18:00:00",""
"1556624","9.0847","0.0006","10.5878","0.0008","13.3058","0.0009","70.313","0.003","82.104","0.003","76.733","0.003","1170.35","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N O4 S -","- C13 H11 N O4 S -","- C52 H44 N4 O16 S4 -","4","2","","Hazra, S.; Rocha, B.G.M.; Guedes da Silva, M.F.C.; Karmakar, A.; Pombeiro, A.J.L.","Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes","Inorganics","2019","7","","17","","10.3390/inorganics7020017","","","0.71069","MoKα","","0.1101","0.051","","","0.0991","0.1129","","","","","","0.919","","","","has coordinates","245261","2020-10-21","18:00:00",""
"1556625","9.5036","0.0004","18.3619","0.0008","11.339","0.0005","90","","91.883","0.002","90","","1977.63","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cu N2 O5 S -","- C20 H20 Cu N2 O5 S -","- C80 H80 Cu4 N8 O20 S4 -","4","1","","Hazra, S.; Rocha, B.G.M.; Guedes da Silva, M.F.C.; Karmakar, A.; Pombeiro, A.J.L.","Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes","Inorganics","2019","7","","17","","10.3390/inorganics7020017","","","0.71073","MoKα","","0.0594","0.0373","","","0.0759","0.0838","","","","","","1.017","","","","has coordinates","245261","2020-10-21","18:00:00",""
"1556626","8.1099","0.0002","29.4538","0.0007","10.5303","0.0003","90","0.0009","109.395","0.0009","90","0.0009","2372.6","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cu N3 O5 S -","- C24 H21 Cu N3 O5 S -","- C96 H84 Cu4 N12 O20 S4 -","4","1","","Hazra, S.; Rocha, B.G.M.; Guedes da Silva, M.F.C.; Karmakar, A.; Pombeiro, A.J.L.","Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes","Inorganics","2019","7","","17","","10.3390/inorganics7020017","","","0.71069","MoKα","","0.0534","0.0398","","","0.0963","0.1028","","","","","","1.007","","","","has coordinates","245261","2020-10-21","18:00:00",""
"1556627","7.4426","0.0004","10.2904","0.0006","11.4557","0.0007","75.615","0.002","71.959","0.003","85.198","0.002","808.05","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Cu2 N4 O10 S2 -","- C32 H30 Cu2 N4 O10 S2 -","- C32 H30 Cu2 N4 O10 S2 -","1","0.5","","Hazra, S.; Rocha, B.G.M.; Guedes da Silva, M.F.C.; Karmakar, A.; Pombeiro, A.J.L.","Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes","Inorganics","2019","7","","17","","10.3390/inorganics7020017","","","0.71069","MoKα","","0.0371","0.0349","","","0.0932","0.0952","","","","","","1.098","","","","has coordinates","245261","2020-10-21","18:00:00",""
"1556628","6.9512","0.0009","18.534","0.002","13.4906","0.0015","90","","100.283","0.003","90","","1710.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cu2 N4 O10 S2 -","- C32 H36 Cu2 N4 O10 S2 -","- C64 H72 Cu4 N8 O20 S4 -","2","0.5","","Hazra, S.; Rocha, B.G.M.; Guedes da Silva, M.F.C.; Karmakar, A.; Pombeiro, A.J.L.","Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes","Inorganics","2019","7","","17","","10.3390/inorganics7020017","","","0.71069","MoKα","","0.1145","0.0526","","","0.0901","0.1035","","","","","","0.92","","","","has coordinates","245261","2020-10-21","18:00:00",""
"1556656","31.732","0.002","10.7145","0.0007","17.6302","0.0014","90","","116.019","0.003","90","","5386.6","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H35 B Ru2 S5 -","- C23 H35 B Ru2 S5 -","- C184 H280 B8 Ru16 S40 -","8","1","","Saha, K.; Kaur, U.; Borthakur, R.; Ghosh, S.","Synthesis of Trithia-Borinane Complexes Stabilized in Diruthenium Core: [(Cp*Ru)2(n1-S)(n1-CS){(CH2)2S3BR}] (R = H or SMe)","Inorganics","2019","7","","21","","10.3390/inorganics7020021","","","0.71073","MoKα","","0.0667","0.0409","","","0.0772","0.088","","","","","","1.016","","","","has coordinates","245376","2020-10-21","18:00:00",""
"1556657","34.157","0.0011","8.5558","0.0003","19.8431","0.0008","90","","90","","90","","5799","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H37 B Ru2 S6 -","- C24 H37 B Ru2 S6 -","- C192 H296 B8 Ru16 S48 -","8","1","","Saha, K.; Kaur, U.; Borthakur, R.; Ghosh, S.","Synthesis of Trithia-Borinane Complexes Stabilized in Diruthenium Core: [(Cp*Ru)2(n1-S)(n1-CS){(CH2)2S3BR}] (R = H or SMe)","Inorganics","2019","7","","21","","10.3390/inorganics7020021","","","0.71073","MoKα","","0.095","0.0456","","","0.069","0.0855","","","","","","0.993","","","","has coordinates","245377","2020-10-21","18:00:00",""
"1556658","8.5681","0.0002","39.1432","0.0009","15.1808","0.0003","90","","95.922","0.001","90","","5064.21","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H37 B3 Ru2 S2 -","- C21 H34.5 B3 Ru2 S2 -","- C168 H276 B24 Ru16 S16 -","8","2","","Saha, K.; Kaur, U.; Borthakur, R.; Ghosh, S.","Synthesis of Trithia-Borinane Complexes Stabilized in Diruthenium Core: [(Cp*Ru)2(n1-S)(n1-CS){(CH2)2S3BR}] (R = H or SMe)","Inorganics","2019","7","","21","","10.3390/inorganics7020021","","","0.71073","MoKα","","0.0725","0.042","","","0.0899","0.1018","","","","","","1.016","","","","has coordinates,has disorder","245378","2020-10-21","18:00:00",""
"1556659","25.681","0.003","8.9889","0.0009","18.4468","0.0018","90","","133.511","0.006","90","","3088.3","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H52 Cl Cr Li2 O6 -","- C24 H52 Cl Cr Li2 O6 -","- C96 H208 Cl4 Cr4 Li8 O24 -","4","0.5","","Ojelere, O.; Graf, D.; Mathur, S.","Molecularly Engineered Lithium-Chromium Alkoxide for Selective Synthesis of LiCrO2 and Li2CrO4 Nanomaterials","Inorganics","2019","7","","22","","10.3390/inorganics7020022","","","0.71073","MoKα","","0.1314","0.0462","","","0.0854","0.1054","","","","","","0.778","","","","has coordinates","245379","2020-10-21","18:00:00",""
"1556660","14.8499","0.0006","10.7574","0.0005","22.6334","0.0011","90","","90.059","0.004","90","","3615.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cr F6 Li N2 O6 -","- C32 H44 Cr F6 Li N2 O6 -","- C128 H176 Cr4 F24 Li4 N8 O24 -","4","1","","Ojelere, O.; Graf, D.; Mathur, S.","Molecularly Engineered Lithium-Chromium Alkoxide for Selective Synthesis of LiCrO2 and Li2CrO4 Nanomaterials","Inorganics","2019","7","","22","","10.3390/inorganics7020022","","","0.71073","MoKα","","0.1149","0.0679","","","0.1627","0.1826","","","","","","1.04","","","","has coordinates","245380","2020-10-21","18:00:00",""
"1556661","29.161","0.003","30.102","0.003","31.045","0.003","90","","102.323","0.002","90","","26624","5","100","2","100","2","","","","","","","synthetical product","7","C 1 2/c 1","-C 2yc","15","hexakis[hydrido-2,2',2''-boranetriyltris(6-tert-butylpyrida- zine-3(2H)-thione)-zinc iodide] n-hexane solvate (1:18)","hexakis[hydrido-2,2',2''-boranetriyltris(6-tert-butylpyrida- zine-3(2H)-thione)-zinc iodide] n-hexane solvate (1:18)","","- C144 H204 B6 I6 N36 S18 Zn6 -","- C144 H204 B6 I6 N36 S18 Zn6 -","- C576 H816 B24 I24 N144 S72 Zn24 -","4","0.5","","Tuchler, M.; Rambock, M.; Glanzer, S.; Zangger, K.; Belaj, F.; Mosch-Zanetti, N.C.","Mono- and Hexanuclear Zinc Halide Complexes with Soft Thiopyridazine Based Scorpionate Ligands","Inorganics","2019","7","","24","","10.3390/inorganics7020024","","","0.71073","MoKα","","0.0537","0.0399","","","0.11","0.1151","","","","","","1.134","","","","has coordinates,has disorder","245381","2020-10-21","18:00:00",""
"1556662","10.2147","0.0003","8.6489","0.0002","27.2498","0.0008","90","","96.6196","0.0013","90","","2391.36","0.11","100","2","100","2","","","","","","","synthetical product","6","P 1 21/c 1","-P 2ybc","14","dibromo-bis(6-tert-butyl-4-methylpyridazine-3(2H)-thione)-zinc","dibromo-bis(6-tert-butyl-4-methylpyridazine-3(2H)-thione)-zinc","","- C18 H28 Br2 N4 S2 Zn -","- C18 H28 Br2 N4 S2 Zn -","- C72 H112 Br8 N16 S8 Zn4 -","4","1","","Tuchler, M.; Rambock, M.; Glanzer, S.; Zangger, K.; Belaj, F.; Mosch-Zanetti, N.C.","Mono- and Hexanuclear Zinc Halide Complexes with Soft Thiopyridazine Based Scorpionate Ligands","Inorganics","2019","7","","24","","10.3390/inorganics7020024","","","0.71073","MoKα","","0.0299","0.0224","","","0.0481","0.05","","","","","","1.046","","","","has coordinates","245381","2020-10-21","18:00:00",""
"1556663","16.6456","0.0019","16.9851","0.0019","34.357","0.004","90","","90","","90","","9713.7","1.9","100","2","100","2","","","","","","","synthetical product","7","P 21 21 21","P 2ac 2ab","19","bromo-(6-tert-butyl-4-methyl-3(2H)-pyridazine-thionato-S)-[hydri- do-tris(6-tert-butyl-4-methyl-3(2H)-pyridazine-thionato-H,S,S')-borate]-zinc","bromo-(6-tert-butyl-4-methyl-3(2H)-pyridazine-thionato-S)-[hydri- do-tris(6-tert-butyl-4-methyl-3(2H)-pyridazine-thionato-H,S,S')-borate]-zinc","","- C36 H54 B Br N8 S4 Zn -","- C36 H54 B Br N8 S4 Zn -","- C288 H432 B8 Br8 N64 S32 Zn8 -","8","2","","Tuchler, M.; Rambock, M.; Glanzer, S.; Zangger, K.; Belaj, F.; Mosch-Zanetti, N.C.","Mono- and Hexanuclear Zinc Halide Complexes with Soft Thiopyridazine Based Scorpionate Ligands","Inorganics","2019","7","","24","","10.3390/inorganics7020024","","","0.71073","MoKα","","0.0975","0.0526","","","0.116","0.1315","","","","","","1.014","","","","has coordinates","245381","2020-10-21","18:00:00",""
"1556664","23.323","0.005","14.555","0.003","17.009","0.007","90","","90","0.01","90","","5774","3","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H37 B4 Cr O4 W2 -","- C24 H30 B4 Cr O4 W2 -","- C192 H240 B32 Cr8 O32 W16 -","8","2","","Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S.","Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond","Inorganics","2019","7","","27","","10.3390/inorganics7030027","","","0.71073","MoKα","","0.2386","0.0879","","","0.158","0.2215","","","","","","0.997","","","","has coordinates","245382","2020-10-21","18:00:00",""
"1556665","16.3096","0.0016","18.8186","0.0018","19.9272","0.0018","85.532","0.003","71.947","0.003","89.111","0.003","5797.1","1","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H30 B4 Mo O4 W2 -","- C24 H30 B4 Mo O4 W2 -","- C192 H240 B32 Mo8 O32 W16 -","8","4","","Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S.","Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond","Inorganics","2019","7","","27","","10.3390/inorganics7030027","","x-ray","0.71073","MoKα","","0.0458","0.0349","","","0.0819","0.088","","","","","","1.065","","","","has coordinates","245383","2020-10-21","18:00:00",""
"1556666","11.6885","0.0013","16.2795","0.0016","15.0773","0.0017","90","","110.538","0.004","90","","2686.6","0.5","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H38 B4 Fe O3 W2 -","- C23 H38 B4 Fe O3 W2 -","- C92 H152 B16 Fe4 O12 W8 -","4","1","","Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S.","Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond","Inorganics","2019","7","","27","","10.3390/inorganics7030027","","x-ray","0.71073","MoKα","","0.0421","0.0379","","","0.1175","0.1236","","","","","","1.063","","","","has coordinates","245384","2020-10-21","18:00:00",""
"1556667","19.454","0.002","13.243","0.0011","21.905","0.002","90","","94.494","0.004","90","","5626","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 B4 Cr Mo2 O4 -","- C24 H34 B4 Cr Mo2 O4 -","- C192 H272 B32 Cr8 Mo16 O32 -","8","2","","Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S.","Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond","Inorganics","2019","7","","27","","10.3390/inorganics7030027","","x-ray","0.71073","MoKα","","0.1054","0.081","","","0.1827","0.2013","","","","","","1.018","","","","has coordinates","245385","2020-10-21","18:00:00",""
"1556668","16.842","0.0015","19.051","0.002","19.39","0.002","85.443","0.004","79.671","0.003","70.858","0.003","5780.8","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 B4 O4 W3 -","- C24 H30 B4 O4 W3 -","- C192 H240 B32 O32 W24 -","8","4","","Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S.","Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond","Inorganics","2019","7","","27","","10.3390/inorganics7030027","","x-ray","0.71073","MoKα","","0.0994","0.088","","","0.1854","0.1952","","","","","","1.135","","","","has coordinates","245386","2020-10-21","18:00:00",""
"1556669","8.9838","0.0002","20.6008","0.0005","19.6703","0.0006","90","","102.45","0.003","90","","3554.84","0.16","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38.44 H32.61 Au2 Cl2.84 O1.72 P2 -","- C38.442 H32.605 Au2 Cl2.837 O1.721 P2 -","- C153.768 H130.42 Au8 Cl11.348 O6.884 P8 -","4","1","","Lankelma, M.; Vreeken, V.; Siegler, M.A.; van der Vlugt, J.I.","Dinuclear Gold Complexes Supported by Wide Bite Angle Diphosphines for Preorganization-Induced Selective Dual-Gold Catalysis","Inorganics","2019","7","","28","","10.3390/inorganics7030028","","","1.54178","CuKα","","0.0386","0.0323","","","0.0765","0.0783","","","","","","0.992","","","","has coordinates,has disorder","245387","2020-10-21","18:00:00",""
"1556670","10.9408","0.0003","13.9559","0.0004","22.9525","0.0008","88.551","0.003","87.044","0.003","89.587","0.002","3498.74","0.19","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H26 Au2 Cl F6 O P2 Sb -","- C36 H26 Au2 Cl F6 O P2 Sb -","- C144 H104 Au8 Cl4 F24 O4 P8 Sb4 -","4","2","","Lankelma, M.; Vreeken, V.; Siegler, M.A.; van der Vlugt, J.I.","Dinuclear Gold Complexes Supported by Wide Bite Angle Diphosphines for Preorganization-Induced Selective Dual-Gold Catalysis","Inorganics","2019","7","","28","","10.3390/inorganics7030028","","","1.54178","CuKα","","0.0451","0.0382","","","0.1077","0.1116","","","","","","1.038","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1556671","13.9459","0.0008","31.1012","0.0019","10.9557","0.0007","90","","105.449","0.002","90","","4580.2","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H49 Au2 F6 O P2 Sb -","- C49 H49 Au2 F6 O P2 Sb -","- C196 H196 Au8 F24 O4 P8 Sb4 -","4","1","","Lankelma, M.; Vreeken, V.; Siegler, M.A.; van der Vlugt, J.I.","Dinuclear Gold Complexes Supported by Wide Bite Angle Diphosphines for Preorganization-Induced Selective Dual-Gold Catalysis","Inorganics","2019","7","","28","","10.3390/inorganics7030028","","","0.71073","MoKα","","0.0661","0.0419","","","0.0942","0.1088","","","","","","1.083","","","","has coordinates,has disorder","245389","2020-10-21","18:00:00",""
"1556672","8.797","0.003","12.528","0.004","18.181","0.004","90","0","94.3","0.02","90","0","1998.1","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Fe2 N O5 S3 -","- C16 H15 Fe2 N O5 S3 -","- C64 H60 Fe8 N4 O20 S12 -","4","1","","Tard, C.; Borg, S.J.; Fairhurst, S.A.; Pickett, C.J.; Best, S.P.","Electronic Communication between Dithiolato-Bridged Diiron Carbonyl and S-Bridged Redox-Active Centres","Inorganics","2019","7","","37","","10.3390/inorganics7030037","","","0.71073","MoKα","","0.0431","0.0272","","","0.0587","0.066","","","","","","1.047","","","","has coordinates","245390","2020-10-21","18:00:00",""
"1556678","12.2207","0.0013","8.2084","0.0009","14.738","0.0016","90","","105.697","0.0019","90","","1423.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4-pyrene-1-yl)pyridine","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lucenti, E.; Forni, A.; Marinotto, D.; Previtali, A.; Righetto, S.; Cariati, E.","Tuning the Linear and Nonlinear Optical Properties of Pyrene-Pyridine Chromophores by Protonation and Complexation to d10 Metal Centers","Inorganics","2019","7","","38","","10.3390/inorganics7030038","","","0.71073","MoKα","","0.1251","0.0543","","","0.1299","0.1669","","","","","","0.986","","","","has coordinates","245425","2020-10-21","18:00:00",""
"1556679","8.2054","0.001","9.7248","0.0012","10.4571","0.0012","85.133","0.002","79.4","0.002","74.341","0.002","789.21","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","4-(2-(pyren-1-yl)ethyl)pyridine","","- C23 H17 N -","- C23 H17 N -","- C46 H34 N2 -","2","1","","Lucenti, E.; Forni, A.; Marinotto, D.; Previtali, A.; Righetto, S.; Cariati, E.","Tuning the Linear and Nonlinear Optical Properties of Pyrene-Pyridine Chromophores by Protonation and Complexation to d10 Metal Centers","Inorganics","2019","7","","38","","10.3390/inorganics7030038","","","0.71073","MoKα","","0.0818","0.0494","","","0.1287","0.153","","","","","","1.042","","","","has coordinates,has disorder","245425","2020-10-21","18:00:00",""
"1556680","20.4752","0.0009","4.502","0.0002","20.208","0.0009","90","","103.158","0.001","90","","1813.86","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cu I N -","- C23 H17 Cu I N -","- C92 H68 Cu4 I4 N4 -","4","1","","Lucenti, E.; Forni, A.; Marinotto, D.; Previtali, A.; Righetto, S.; Cariati, E.","Tuning the Linear and Nonlinear Optical Properties of Pyrene-Pyridine Chromophores by Protonation and Complexation to d10 Metal Centers","Inorganics","2019","7","","38","","10.3390/inorganics7030038","","","0.71073","MoKα","","0.0493","0.0333","","","0.0771","0.0844","","","","","","1.023","","","","has coordinates","245425","2020-10-21","18:00:00",""
"1556681","12.5192","0.0009","24.7373","0.0018","11.2498","0.0008","90","","90","","90","","3484","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H32 N2 O4 Zn -","- C45.844 H31.922 N2 O3.844 Zn -","- C183.376 H127.688 N8 O15.376 Zn4 -","4","0.5","","Lucenti, E.; Forni, A.; Marinotto, D.; Previtali, A.; Righetto, S.; Cariati, E.","Tuning the Linear and Nonlinear Optical Properties of Pyrene-Pyridine Chromophores by Protonation and Complexation to d10 Metal Centers","Inorganics","2019","7","","38","","10.3390/inorganics7030038","","","0.71073","MoKα","","0.0688","0.0517","","","0.1475","0.1629","","","","","","1.022","","","","has coordinates,has disorder","245425","2020-10-21","18:00:00",""
"1556682","16.166","0.004","11.279","0.005","12.294","0.003","90","","90","","90","","2241.6","1.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C15 H33 B10 Cl Ge N2 -","- C15 H33 B10 Cl Ge N2 -","- C60 H132 B40 Cl4 Ge4 N8 -","4","1","","Liebing, P.; Harmgarth, N.; Zorner, F.; Engelhardt, F.; Hilfert, L.; Busse, S.; Edelmann, F.T.","Synthesis and Structural Characterization of Two New Main Group Element Carboranylamidinates","Inorganics","2019","7","","41","","10.3390/inorganics7030041","","","0.71073","MoKα","","0.0496","0.048","","","0.1221","0.1231","","","","","","1.142","","","","has coordinates","245426","2020-10-21","18:00:00",""
"1556683","26.796","0.016","8.141","0.003","18.666","0.008","90","","103.29","0.04","90","","3963","3","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H25 B10 Cl2 N2 Sb -","- C9 H25 B10 Cl2 N2 Sb -","- C72 H200 B80 Cl16 N16 Sb8 -","8","1","","Liebing, P.; Harmgarth, N.; Zorner, F.; Engelhardt, F.; Hilfert, L.; Busse, S.; Edelmann, F.T.","Synthesis and Structural Characterization of Two New Main Group Element Carboranylamidinates","Inorganics","2019","7","","41","","10.3390/inorganics7030041","","","0.71073","MoKα","","0.0284","0.0255","","","0.0592","0.0602","","","","","","1.185","","","","has coordinates","245426","2020-10-21","18:00:00",""
"1556684","10.7068","0.0003","16.6627","0.0006","17.9475","0.0009","117.108","0.002","92.836","0.002","106.327","0.002","2675.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H70 Ni P2 S2 -","- C60 H70 Ni P2 S2 -","- C120 H140 Ni2 P4 S4 -","2","1","","Alrefai, R.; Eggenweiler, H.; Schubert, H.; Berkefeld, A.","Understanding Factors that Control the Structural (Dis)Assembly of Sulphur-Bridged Bimetallic Sites","Inorganics","2019","7","","42","","10.3390/inorganics7040042","","","0.71073","MoKα","","0.0299","0.0265","","","0.0693","0.0717","","","","","","1.019","","","","has coordinates","245427","2020-10-21","18:00:00",""
"1556685","8.9541","0.0003","14.157","0.0004","16.8972","0.0005","104.278","0.001","98.592","0.001","97.958","0.001","2017.85","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H44 F6 N Ni O4 P S3 -","- C38 H44 F6 N Ni O4 P S3 -","- C76 H88 F12 N2 Ni2 O8 P2 S6 -","2","1","","Alrefai, R.; Eggenweiler, H.; Schubert, H.; Berkefeld, A.","Understanding Factors that Control the Structural (Dis)Assembly of Sulphur-Bridged Bimetallic Sites","Inorganics","2019","7","","42","","10.3390/inorganics7040042","","","0.71073","MoKα","","0.0355","0.0299","","","0.0788","0.0824","","","","","","1.013","","","","has coordinates,has disorder","245427","2020-10-21","18:00:00",""
"1556686","26.0212","0.0003","9.1562","0.0001","13.6318","0.0002","90","","99.58","0.001","90","","3202.55","0.07","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H20 B6 N3 O13.5 Zn -","- C4 H20 B6 N3 O13.5 Zn -","- C32 H160 B48 N24 O108 Zn8 -","8","1","","Altahan, M.A.; Beckett, M.A.; Coles, S.J.; Horton, P.N.","Hexaborate(2-) and Dodecaborate(6-) Anions as Ligands to Zinc(II) Centres: Self-Assembly and Single-Crystal XRD Characterization of [Zn{k3O-B6O7(OH)6}(k3N-dien)].0.5H2O (dien = NH(CH2-CH2NH2)2), (NH4)2[Zn{k2O-B6O7(OH)6}2 (H2O)2].2H2O and (1,3-pnH2)3[(k1N-H3N{CH2}3NH2) Zn{k3O-B12O18(OH)6}]2.14H2O (1,3-pn = 1,3-diaminopropane)","Inorganics","2019","7","","44","","10.3390/inorganics7040044","","x-ray","0.71075","MoKα","","0.0249","0.024","","","0.066","0.0666","","","","","","1.095","","","","has coordinates,has disorder","245428","2020-10-21","18:00:00",""
"1556687","7.4831","0.0002","7.8551","0.0002","11.0111","0.0003","108.065","0.002","95.02","0.002","90.118","0.002","612.68","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- B12 H28 N2 O30 Zn -","- B12 H28 N2 O30 Zn -","- B12 H28 N2 O30 Zn -","1","0.5","","Altahan, M.A.; Beckett, M.A.; Coles, S.J.; Horton, P.N.","Hexaborate(2-) and Dodecaborate(6-) Anions as Ligands to Zinc(II) Centres: Self-Assembly and Single-Crystal XRD Characterization of [Zn{k3O-B6O7(OH)6}(k3N-dien)].0.5H2O (dien = NH(CH2-CH2NH2)2), (NH4)2[Zn{k2O-B6O7(OH)6}2 (H2O)2].2H2O and (1,3-pnH2)3[(k1N-H3N{CH2}3NH2) Zn{k3O-B12O18(OH)6}]2.14H2O (1,3-pn = 1,3-diaminopropane)","Inorganics","2019","7","","44","","10.3390/inorganics7040044","","x-ray","0.71075","MoKα","K-L~3~","0.0214","0.0212","","","0.0557","0.0559","","","","","","1.068","","","","has coordinates","245428","2020-10-21","18:00:00",""
"1556688","9.3681","0.0002","10.691","0.0002","19.2746","0.0004","82.954","0.002","76.156","0.002","68.655","0.002","1744.44","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C7.5 H49 B12 N5 O31 Zn -","- C7.5 H49 B12 N5 O31 Zn -","- C15 H98 B24 N10 O62 Zn2 -","2","1","","Altahan, M.A.; Beckett, M.A.; Coles, S.J.; Horton, P.N.","Hexaborate(2-) and Dodecaborate(6-) Anions as Ligands to Zinc(II) Centres: Self-Assembly and Single-Crystal XRD Characterization of [Zn{k3O-B6O7(OH)6}(k3N-dien)].0.5H2O (dien = NH(CH2-CH2NH2)2), (NH4)2[Zn{k2O-B6O7(OH)6}2 (H2O)2].2H2O and (1,3-pnH2)3[(k1N-H3N{CH2}3NH2) Zn{k3O-B12O18(OH)6}]2.14H2O (1,3-pn = 1,3-diaminopropane)","Inorganics","2019","7","","44","","10.3390/inorganics7040044","","x-ray","0.71075","MoKα","K-L~3~","0.0439","0.0425","","","0.1046","0.1053","","","","","","1.191","","","","has coordinates,has disorder","245428","2020-10-21","18:00:00",""
"1556689","8.3","0.001","16.191","0.002","21.221","0.003","108.167","0.004","94.071","0.005","104.453","0.004","2589.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H40 I16 N8 -","- C22 H40 I16 N8 -","- C44 H80 I32 N16 -","2","1","","Savastano, M.; Martinez-Camarena, A.; Bazzicalupi, C.; Delgado-Pinar, E.; Llinares, J.M.; Mariani, P.; Verdejo, B.; Garcia-Espana, E.; Bianchi, A.","Stabilization of Supramolecular Networks of Polyiodides with Protonated Small Tetra-azacyclophanes","Inorganics","2019","7","","48","","10.3390/inorganics7040048","","","0.71073","MoKα","","0.0397","0.0377","","","0.106","0.1083","","","","","","1.018","","","","has coordinates","245429","2020-10-21","18:00:00",""
"1556690","9.226","0.001","13.06","0.001","17.377","0.002","90","","104.671","0.003","90","","2025.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H23 I14 N4 O -","- C14 H27 I14 N4 O -","- C28 H54 I28 N8 O2 -","2","0.5","","Savastano, M.; Martinez-Camarena, A.; Bazzicalupi, C.; Delgado-Pinar, E.; Llinares, J.M.; Mariani, P.; Verdejo, B.; Garcia-Espana, E.; Bianchi, A.","Stabilization of Supramolecular Networks of Polyiodides with Protonated Small Tetra-azacyclophanes","Inorganics","2019","7","","48","","10.3390/inorganics7040048","","","0.71073","MoKα","","0.0941","0.0779","","","0.2092","0.2353","","","","","","1.09","","","","has coordinates","245429","2020-10-21","18:00:00",""
"1556691","7.706","0.005","10.274","0.005","13.666","0.005","93.846","0.005","92.271","0.005","107.216","0.005","1029.1","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(HNEt3)[(pydicOMe2)CuCl3]","Triethylammonium (Pyridine-2,6-dicarboxyl-dimethyl) trichlorido cuprate","","- C15 H25 Cl3 Cu N2 O4 -","- C15 H25 Cl3 Cu N2 O4 -","- C30 H50 Cl6 Cu2 N4 O8 -","2","1","","Butsch, K.; Sandleben, A.; Dokoohaki, M.H.; Zolghadr, A.R.; Klein, A.","Pyridine-2,6-Dicarboxylic Acid Esters (pydicR2) as O,N,O-Pincer Ligands in CuII Complexes","Inorganics","2019","7","","53","","10.3390/inorganics7040053","","","0.71073","MoKα","","0.1467","0.0399","","","0.0524","0.0688","","","","","","0.684","","","","has coordinates","245430","2020-10-21","18:00:00",""
"1556692","8.185","0.003","9.5","0.003","9.682","0.002","69.01","0.03","66.97","0.03","89.04","0.04","640.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H6 Cl2 Cu3 N2 O14 -","- C14 H6 Cl2 Cu3 N2 O14 -","- C14 H6 Cl2 Cu3 N2 O14 -","1","0.5","","Butsch, K.; Sandleben, A.; Dokoohaki, M.H.; Zolghadr, A.R.; Klein, A.","Pyridine-2,6-Dicarboxylic Acid Esters (pydicR2) as O,N,O-Pincer Ligands in CuII Complexes","Inorganics","2019","7","","53","","10.3390/inorganics7040053","","","0.71073","MoKα","","0.1291","0.0813","","","0.2361","0.2593","","","","","","1.015","","","","has coordinates","245430","2020-10-21","18:00:00",""
"1556693","13.52","0.005","14.455","0.005","19.496","0.005","90","","90","","90","","3810","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","pydicOIPh","Bis(2-iodophenyl)pyridine-2,6-dicarboxylate","","- C19 H11 I2 N O4 -","- C19 H11 I2 N O4 -","- C152 H88 I16 N8 O32 -","8","1","","Butsch, K.; Sandleben, A.; Dokoohaki, M.H.; Zolghadr, A.R.; Klein, A.","Pyridine-2,6-Dicarboxylic Acid Esters (pydicR2) as O,N,O-Pincer Ligands in CuII Complexes","Inorganics","2019","7","","53","","10.3390/inorganics7040053","","","0.71073","MoKα","","0.1272","0.0329","","","0.0522","0.0671","","","","","","0.739","","","","has coordinates","245430","2020-10-21","18:00:00",""
"1556694","9.5916","0.001","33.666","0.003","13.3219","0.0013","90","","105.255","0.003","90","","4150.2","0.7","150","0.1","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 N4 Ni -","- C10 H12 N4 Ni -","- C160 H192 N64 Ni16 -","16","2","","Wang, D.; Moutet, J.; Tricoire, M.; Cordier, M.; Nocton, G.","Reactive Heterobimetallic Complex Combining Divalent Ytterbium and Dimethyl Nickel Fragments","Inorganics","2019","7","","58","","10.3390/inorganics7050058","","","0.71069","MoKα","","0.0423","0.0308","","","0.0742","0.0793","","","","","","1.038","","","","has coordinates","245431","2020-10-21","18:00:00",""
"1556695","9.4362","0.0007","10.7558","0.0007","17.0271","0.0012","103.204","0.002","94.65","0.002","93.872","0.002","1670.3","0.2","150","0.1","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H50 N4 Ni Yb -","- C37 H50 N4 Ni Yb -","- C74 H100 N8 Ni2 Yb2 -","2","1","","Wang, D.; Moutet, J.; Tricoire, M.; Cordier, M.; Nocton, G.","Reactive Heterobimetallic Complex Combining Divalent Ytterbium and Dimethyl Nickel Fragments","Inorganics","2019","7","","58","","10.3390/inorganics7050058","","","0.71069","MoKα","","0.0267","0.0236","","","0.0571","0.0588","","","","","","0.945","","","","has coordinates,has disorder","245431","2020-10-21","18:00:00",""
"1556696","40.6382","0.0015","12.2295","0.0005","24.2274","0.0009","90","","125.09","0.001","90","","9852.3","0.7","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H53 B Br Ir O3 P4 -","- C56 H53 B Br Ir O3 P4 -","- C448 H424 B8 Br8 Ir8 O24 P32 -","8","1","","Maser, L.; Schneider, C.; Alig, L.; Langer, R.","Comparing the Acidity of (R3P)2BH-Based Donor Groups in Iridium Pincer Complexes","Inorganics","2019","7","","61","","10.3390/inorganics7050061","","","0.71073","MoKα","","0.0354","0.0277","","","0.0695","0.0728","","","","","","1.023","","","","has coordinates","245432","2020-10-21","18:00:00",""
"1556697","20.957","0.005","8.1726","0.0017","22.929","0.005","90","","106.623","0.003","90","","3763","1.4","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 Br2 N5 Pd -","- C43 H45 Br2 N5 Pd -","- C172 H180 Br8 N20 Pd4 -","4","1","","Messelberger, J.; Grunwald, A.; Stegner, P.; Senft, L.; Heinemann, F.W.; Munz, D.","Transmetalation from Magnesium-NHCs-Convenient Synthesis of Chelating pi-Acidic NHC Complexes","Inorganics","2019","7","","65","","10.3390/inorganics7050065","","","0.71073","MoKα","","0.1029","0.0694","","","0.1525","0.1683","","","","","","1.089","","","","has coordinates","245433","2020-10-21","18:00:00",""
"1556698","19.086","0.0008","12.8472","0.0006","20.6882","0.0008","90","","111.643","0.001","90","","4715.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 Br2 Mg N8 -","- C50 H60 Br2 Mg N8 -","- C200 H240 Br8 Mg4 N32 -","4","1","","Messelberger, J.; Grunwald, A.; Stegner, P.; Senft, L.; Heinemann, F.W.; Munz, D.","Transmetalation from Magnesium-NHCs-Convenient Synthesis of Chelating pi-Acidic NHC Complexes","Inorganics","2019","7","","65","","10.3390/inorganics7050065","","","0.71073","MoKα","","0.0474","0.0307","","","0.0623","0.068","","","","","","1.038","","","","has coordinates","245433","2020-10-21","18:00:00",""
"1556705","24.916","0.002","9.3586","0.0009","9.3255","0.0009","90","","92.291","0.003","90","","2172.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 Cu N6 O4 -","- C16 H32 Cu N6 O4 -","- C64 H128 Cu4 N24 O16 -","4","1","","Nesterova, O.V.; Kopylovich, M.N.; Nesterov, D.S.","A Comparative Study of the Catalytic Behaviour of Alkoxy-1,3,5-Triazapentadiene Copper(II) Complexes in Cyclohexane Oxidation","Inorganics","2019","7","","82","","10.3390/inorganics7070082","","","0.71073","MoKα","","0.098","0.0671","","","0.1395","0.1546","","","","","","1.09","","","","has coordinates,has disorder","245500","2020-10-21","18:00:00",""
"1556706","5.6535","0.0005","10.3149","0.0008","13.5498","0.001","108.336","0.003","95.921","0.003","98.615","0.003","732.01","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 Cl2 Cu N4 O2 -","- C10 H16 Cl2 Cu N4 O2 -","- C20 H32 Cl4 Cu2 N8 O4 -","2","1","","Gayfullina, R.; Jaaskelainen, S.; Koshevoy, I.O.; Hirva, P.","Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis","Inorganics","2019","7","","87","","10.3390/inorganics7070087","","","0.71073","MoKα","","0.0541","0.0363","","","0.0813","0.0878","","","","","","1.023","","","","has coordinates","245501","2020-10-21","18:00:00",""
"1556707","7.1887","0.0004","7.4368","0.0005","10.5356","0.0007","82.585","0.003","89.776","0.003","84.799","0.003","556.22","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl4 Cu2 N8 O2 -","- C14 H16 Cl4 Cu2 N8 O2 -","- C14 H16 Cl4 Cu2 N8 O2 -","1","0.5","","Gayfullina, R.; Jaaskelainen, S.; Koshevoy, I.O.; Hirva, P.","Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis","Inorganics","2019","7","","87","","10.3390/inorganics7070087","","","0.71073","MoKα","","0.0438","0.0295","","","0.0707","0.0753","","","","","","1.05","","","","has coordinates","245502","2020-10-21","18:00:00",""
"1556708","7.3978","0.0002","7.6151","0.0002","10.7043","0.0003","81.023","0.002","88.684","0.002","84.835","0.002","593.2","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Br4 Cu2 N8 O2 -","- C14 H16 Br4 Cu2 N8 O2 -","- C14 H16 Br4 Cu2 N8 O2 -","1","0.5","","Gayfullina, R.; Jaaskelainen, S.; Koshevoy, I.O.; Hirva, P.","Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis","Inorganics","2019","7","","87","","10.3390/inorganics7070087","","","0.71073","MoKα","","0.0724","0.0546","","","0.1","0.1068","","","","","","1.079","","","","has coordinates","245503","2020-10-21","18:00:00",""
"1556709","7.3737","0.0009","8.4147","0.0011","10.6554","0.0014","83.614","0.005","76.079","0.005","75.706","0.005","620.91","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Br2 Cu N4 O -","- C8 H10 Br2 Cu N4 O -","- C16 H20 Br4 Cu2 N8 O2 -","2","1","","Gayfullina, R.; Jaaskelainen, S.; Koshevoy, I.O.; Hirva, P.","Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis","Inorganics","2019","7","","87","","10.3390/inorganics7070087","","","0.71073","MoKα","","0.0709","0.0349","","","0.0668","0.0771","","","","","","1.024","","","","has coordinates","245504","2020-10-21","18:00:00",""
"3000246","14.6356","0.001","3.81207","0.00015","11.2115","0.0007","90","","90","","90","","625.51","0.06","294","","294","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3 H3.4 Si3 -","- Ca3 H3.4 Si3 -","- Ca12 H13.6 Si12 -","4","0.5","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","4.4","1.94","","","","","","","has coordinates","219316","2020-10-21","18:00:00",""
"3000247","4.5607","0.0006","10.8469","0.0012","3.9039","0.0005","90","","90","","90","","193.12","0.04","537","","537","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.05 Si -","- Ca D0.047 Si -","- Ca4 D0.188 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","8.06","1.65","","","","","","","has coordinates","219317","2020-10-21","18:00:00",""
"3000248","4.5391","0.0006","10.9521","0.0015","3.9028","0.0006","90","","90","","90","","194.02","0.05","529","","529","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.09 Si -","- Ca D0.092 Si -","- Ca4 D0.368 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","6.21","1.72","","","","","","","has coordinates","219318","2020-10-21","18:00:00",""
"3000249","4.5406","0.0006","10.943","0.0015","3.9036","0.0006","90","","90","","90","","193.96","0.05","537","","537","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.1 Si -","- Ca D0.096 Si -","- Ca4 D0.384 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","9.61","1.35","","","","","","","has coordinates","219319","2020-10-21","18:00:00",""
"3000250","4.5206","0.0007","11.0166","0.0014","3.9018","0.0005","90","","90","","90","","194.32","0.05","524","","524","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.13 Si -","- Ca D0.126 Si -","- Ca4 D0.504 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","6.45","2.19","","","","","","","has coordinates","219320","2020-10-21","18:00:00",""
"3000251","4.5227","0.0005","11.0069","0.001","3.9015","0.0004","90","","90","","90","","194.22","0.03","535","","535","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.14 Si -","- Ca D0.137 Si -","- Ca4 D0.548 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","5.67","2.18","","","","","","","has coordinates","219321","2020-10-21","18:00:00",""
"3000252","4.5184","0.0005","11.0248","0.001","3.9012","0.0003","90","","90","","90","","194.34","0.03","537","","537","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.17 Si -","- Ca D0.168 Si -","- Ca4 D0.672 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","5.71","2.38","","","","","","","has coordinates","219322","2020-10-21","18:00:00",""
"3000253","14.579","0.004","3.8119","0.0004","11.209","0.002","90","","90","","90","","622.9","0.2","294","","294","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3 D3.23 Si3 -","- Ca3 D3.228 Si3 -","- Ca12 D12.912 Si12 -","4","0.5","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.7982","neutron","","","","","","","","","1.48","1.33","","","","","","","has coordinates","219323","2020-10-21","18:00:00",""