# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-07T23:08:19+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 'Inorganica Chimica Acta') AND volume = 364 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
"1512933","10.2528","0.0015","11.0102","0.0015","12.667","0.0018","96.958","0.002","90.154","0.002","110.593","0.002","1327.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 N2 O14 Ti2 -","- C52 H62 N2 O14 Ti2 -","- C52 H62 N2 O14 Ti2 -","1","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley","Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides","Inorganica Chimica Acta","2010","364","1","69","80","10.1016/j.ica.2010.08.047","","","0.71073","MoKα","","0.0626","0.0467","","","0.1084","0.1173","","","","","","1.011","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512934","10.486","0.0014","26.865","0.004","18.365","0.002","90","","99.318","0.003","90","","5105.3","1.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H78 O11 Ti2 -","- C45 H78 O11 Ti2 -","- C180 H312 O44 Ti8 -","4","1","","Timothy J. Boyle; Leigh Anna M. Ottley","Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides","Inorganica Chimica Acta","2010","364","1","69","80","10.1016/j.ica.2010.08.047","","","0.71073","MoKα","","0.0997","0.0676","","","0.167","0.1921","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512935","13.716","0.003","18.149","0.003","18.778","0.003","90","","103.76","0.003","90","","4540.3","1.4","172","2","172","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H66 O11 Zr2 -","- C39 H66 O11 Zr2 -","- C156 H264 O44 Zr8 -","4","1","","Timothy J. Boyle; Leigh Anna M. Ottley","Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides","Inorganica Chimica Acta","2010","364","1","69","80","10.1016/j.ica.2010.08.047","","","0.71073","MoKα","","0.0382","0.0354","","","0.0923","0.0951","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512936","10.656","0.005","10.881","0.005","14.684","0.007","82.717","0.008","74.81","0.008","67.42","0.008","1516.5","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H76 N4 O14 Zr2 -","- C58 H76 N4 O14 Zr2 -","- C58 H76 N4 O14 Zr2 -","1","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley","Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides","Inorganica Chimica Acta","2010","364","1","69","80","10.1016/j.ica.2010.08.047","","","0.71073","MoKα","","0.1087","0.0982","","","0.2686","0.2771","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512937","13.541","0.0017","13.6135","0.0017","14.9847","0.0019","81.523","0.002","73.924","0.002","70.568","0.002","2498.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H120 N2 O20 Zr4 -","- C80 H120 N2 O20 Zr4 -","- C80 H120 N2 O20 Zr4 -","1","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley","Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides","Inorganica Chimica Acta","2010","364","1","69","80","10.1016/j.ica.2010.08.047","","","0.71073","MoKα","","0.0437","0.0395","","","0.1155","0.1187","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512938","10.1315","0.0011","13.2443","0.0015","19.213","0.002","103.89","0.002","104.987","0.002","90.537","0.002","2410.5","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H66 Hf2 O11 -","- C39 H66 Hf2 O11 -","- C78 H132 Hf4 O22 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley","Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides","Inorganica Chimica Acta","2010","364","1","69","80","10.1016/j.ica.2010.08.047","","","0.71073","MoKα","","0.0298","0.0258","","","0.0616","0.0634","","","","","","1.104","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512939","9.8718","0.0019","12.387","0.002","14.648","0.003","77.074","0.004","84.65","0.003","83.303","0.004","1729.7","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H88 Nb2 O16 -","- C60 H88 Nb2 O16 -","- C60 H88 Nb2 O16 -","1","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley","Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides","Inorganica Chimica Acta","2010","364","1","69","80","10.1016/j.ica.2010.08.047","","","0.71073","MoKα","","0.0747","0.0567","","","0.1297","0.1391","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512940","12.2415","0.0015","13.36","0.0017","13.7173","0.0017","83.088","0.002","87.469","0.002","77.4","0.002","2173.1","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H54 O16 Ta2 -","- C42 H54 O16 Ta2 -","- C84 H108 O32 Ta4 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley","Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides","Inorganica Chimica Acta","2010","364","1","69","80","10.1016/j.ica.2010.08.047","","","0.71073","MoKα","","0.027","0.0239","","","0.0605","0.0625","","","","","","1.065","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512941","9.887","0.003","12.448","0.004","14.685","0.004","77.165","0.005","84.363","0.005","83.424","0.005","1745.6","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H90 O16 Ta2 -","- C60 H90 O16 Ta2 -","- C60 H90 O16 Ta2 -","1","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley","Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides","Inorganica Chimica Acta","2010","364","1","69","80","10.1016/j.ica.2010.08.047","","","0.71073","MoKα","","0.0542","0.0473","","","0.1119","0.1158","","","","","","1.08","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512942","21.417","0.003","13.818","0.003","18.483","0.003","90","","124.98","0.004","90","","4481.7","1.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 O16 W2 -","- C38 H42 O16 W2 -","- C152 H168 O64 W8 -","4","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley","Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides","Inorganica Chimica Acta","2010","364","1","69","80","10.1016/j.ica.2010.08.047","","","0.71073","MoKα","","0.0239","0.0222","","","0.0558","0.0567","","","","","","1.119","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512943","12.598","0.005","16.56","0.006","14.716","0.005","90","","95.895","0.005","90","","3053.9","1.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H78 N2 O16 W2 -","- C60 H78 N2 O16 W2 -","- C120 H156 N4 O32 W4 -","2","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley","Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides","Inorganica Chimica Acta","2010","364","1","69","80","10.1016/j.ica.2010.08.047","","","0.71073","MoKα","","0.0826","0.0553","","","0.11","0.1198","","","","","","1.11","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512944","10.0466","0.0006","11.4273","0.0007","12.4642","0.0008","98.258","0.001","107.577","0.001","115.985","0.001","1160.93","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H44 N4 O14 W2 -","- C50 H44 N4 O14 W2 -","- C50 H44 N4 O14 W2 -","1","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley","Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides","Inorganica Chimica Acta","2010","364","1","69","80","10.1016/j.ica.2010.08.047","","","0.71073","MoKα","","0.0309","0.0263","","","0.0571","0.0586","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512945","13.641","0.003","23.704","0.005","15.533","0.003","90","","106.974","0.004","90","","4803.7","1.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 Al2 N2 O10 -","- C42 H40 Al2 N2 O10 -","- C168 H160 Al8 N8 O40 -","4","1","","Timothy J. Boyle; Leigh Anna M. Ottley","Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides","Inorganica Chimica Acta","2010","364","1","69","80","10.1016/j.ica.2010.08.047","","","0.71073","MoKα","","0.1004","0.058","","","0.1275","0.1424","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513118","11.326","0.0006","23.2384","0.0013","15.5072","0.0008","90","","101.858","0.001","90","","3994.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C94 H76 N6 O28 Zn3 -","- C94 H76 N6 O28 Zn3 -","- C188 H152 N12 O56 Zn6 -","2","0.5","","Daniel L. Reger; Agota Debreczeni; Mark D. Smith","Synthesis and structure of a zinc(II)-carboxylate trimer containing the π···π stacking, 1,8-naphthalimide synthon: A supramolecular metal–organic framework","Inorganica Chimica Acta","2010","364","1","10","15","10.1016/j.ica.2010.05.039","","","0.71073","MoKα","","0.0514","0.0362","","","0.0767","0.0815","","","","","","0.94","","","","has coordinates","301776","2025-08-18","14:47:42",""