# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-27T07:34:11+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 'Inorganic chemistry') AND volume = 58 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
"4345990","24.261","0.005","30.967","0.006","25.454","0.005","90","","101.91","0.03","90","","18712","7","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","coordination-polymeric hexazirconium heptahydroxo pentaaqua complex with two anions of tetra-1,3,5,7-(carboxyphenyl)adamantane, solvate with N,N-dimethylformamide, formic acid and water","poly{[μ~8~-((adamantane-1,3,5,7-tetrayl)tetra(phen-4-yl))tetra(carboxylate-\ κ<i>O:</i>κ<i>O'</i>)][bis(μ~6~-((adamantane-1,3,5,7-\ tetrayl)tetra(phen-4-yl))(tri(carboxylate-\ κ<i>O:</i>κ<i>O')</i>)(carboxylic acid))] tetra(μ~3~-oxo)tetra(μ~3~-hydroxo)di(hydroxo)tetraaquahexazirconium(IV)}, solvate with N,N-dimethylformamide, formic acid and water","","- C114 H96 O36 Zr6 -","- C114 H88 O36 Zr6 -","- C456 H352 O144 Zr24 -","4","0.5","","Nateghi, Bahareh; Domasevitch, Kostiantyn V.; Bulánek, Roman; Janiak, Christoph; Boldog, Ishtvan","Ligand Excess ""Inverse-Defected"" Zr<sub>6</sub> Tetrahedral Tetracarboxylate Framework and Its Thermal Transformation.","Inorganic chemistry","2019","58","19","12786","12797","10.1021/acs.inorgchem.9b01721","","","1.54186","CuKα","","0.0392","0.0341","","","0.1072","0.11","","","","","","0.985","","","","has coordinates,has disorder","220621","2020-10-21","18:00:00",""
"4345991","24.2611","0.0002","30.9669","0.0004","25.4544","0.0003","90","","101.912","0.001","90","","18711.8","0.4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","coordination-polymeric hexazirconium heptahydroxo pentaaqua complex with two anions of tetra-1,3,5,7-(carboxyphenyl)adamantane, solvate with N,N-dimethylformamide, formic acid and water","poly{[μ~8~-((adamantane-1,3,5,7-tetrayl)tetra(phen-4-yl))tetra(carboxylate-\ κ<i>O:</i>κ<i>O'</i>)][bis(μ~6~-((adamantane-1,3,5,7-\ tetrayl)tetra(phen-4-yl))(tri(carboxylate-\ κ<i>O:</i>κ<i>O')</i>)(carboxylic acid))] tetra(μ~3~-oxo)tetra(μ~3~-hydroxido)di(hydroxido)tetraaquahexazirconium(IV)}, solvate with N,N-dimethylformamide, formic acid and water","","- C132 H138 N6 O42 Zr6 -","- C135 H84 N4 O44 Zr6 -","- C540 H336 N16 O176 Zr24 -","4","0.5","","Nateghi, Bahareh; Domasevitch, Kostiantyn V.; Bulánek, Roman; Janiak, Christoph; Boldog, Ishtvan","Ligand Excess ""Inverse-Defected"" Zr<sub>6</sub> Tetrahedral Tetracarboxylate Framework and Its Thermal Transformation.","Inorganic chemistry","2019","58","19","12786","12797","10.1021/acs.inorgchem.9b01721","","x-ray","1.54186","CuKα","","0.0698","0.0627","","","0.21","0.2182","","","","","","1.074","","","","has coordinates,has disorder","220621","2020-10-21","18:00:00",""
"4345992","24.5829","0.0006","30.8205","0.0005","25.6723","0.0005","90","","100.624","0.002","90","","19117.4","0.7","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","coordination-polymeric hexazirconium heptahydroxo pentaaqua complex with two anions of tetra-1,3,5,7-(carboxyphenyl)adamantane, solvate with N,N-dimethylformamide, acetic acid and water","poly{[μ~8~-((adamantane-1,3,5,7-tetrayl)tetra(phen-4-yl))tetra(carboxylate-\ κ<i>O:</i>κ<i>O'</i>)][bis(μ~6~-((adamantane-1,3,5,7-\ tetrayl)tetra(phen-4-yl))(tri(carboxylate-\ κ<i>O:</i>κ<i>O')</i>)(carboxylic acid))] tetra(μ~3~-oxo)tetra(μ~3~-hydroxido)di(hydroxido)tetraaquahexazirconium(IV)}, solvate with N,N-dimethylformamide, acetic acid and water","","- C114 H96 O36 Zr6 -","- C114 H88 O36 Zr6 -","- C456 H352 O144 Zr24 -","4","0.5","","Nateghi, Bahareh; Domasevitch, Kostiantyn V.; Bulánek, Roman; Janiak, Christoph; Boldog, Ishtvan","Ligand Excess ""Inverse-Defected"" Zr<sub>6</sub> Tetrahedral Tetracarboxylate Framework and Its Thermal Transformation.","Inorganic chemistry","2019","58","19","12786","12797","10.1021/acs.inorgchem.9b01721","","x-ray","1.54186","CuKα","","0.0856","0.0592","","","0.1464","0.1569","","","","","","0.93","","","","has coordinates,has disorder","220621","2020-10-21","18:00:00",""
"4345993","17.9142","","17.9142","","31.5291","","90","","90","","90","","10118.3","","293","","293","","","","","","","","","4","I 4/m","-I 4","87","","","","- C80 H64 O32 Zr12.8 -","- C80 H64 O32 Zr12.8 -","- C160 H128 O64 Zr25.6 -","2","0.125","","Nateghi, Bahareh; Domasevitch, Kostiantyn V.; Bulánek, Roman; Janiak, Christoph; Boldog, Ishtvan","Ligand Excess ""Inverse-Defected"" Zr<sub>6</sub> Tetrahedral Tetracarboxylate Framework and Its Thermal Transformation.","Inorganic chemistry","2019","58","19","12786","12797","10.1021/acs.inorgchem.9b01721","powder diffraction","x-ray","1.54051","","","0.1553","0.1553","","0.2065","0.2065","","","","7.72","","","","","","","has coordinates","220621","2020-10-21","18:00:00",""