# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-10T07:49:45+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 42/n n m' 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
"1548264","17.9257","0.0003","17.9257","0.0003","28.0627","0.0007","90","","90","","90","","9017.4","0.3","100","0.1","100","0.1","","","","","","","","4","P 42/n n m","-P 4ac 2bc","134","","","","- C11.5 H7.5 Cu O5.5 -","- C11.5 H6 Cu O5.5 -","- C184 H96 Cu16 O88 -","16","","","Jiandong Pang; Feilong Jiang; Mingyan Wu; Caiping Liu; Kongzhao Su; Weigang Lu; Daqiang Yuan; Maochun Hong","A porous metal-organic framework with ultrahigh acetylene uptake capacity under ambient conditions","Nature Communications","2015","6","","7575","","10.1038/ncomms8575","","","1.54184","CuKα","","0.0648","0.0488","","","0.1206","0.1255","","","","","","1.002","","","","has coordinates","203697","2020-10-21","18:00:00",""
"4345893","11.7157","0.0004","11.7157","0.0004","16.8663","0.0006","90","","90","","90","","2315.03","0.14","133","2","133","2","","","","","","","","5","P 42/n n m","-P 4ac 2bc","134","","","","- C33 H40 Fe6 N2 O16 -","- C33 H40 Fe6 N2 O16 -","- C66 H80 Fe12 N4 O32 -","2","","","Kuppuswamy, Subramaniam; Wofford, Joshua D.; Joseph, Chris; Xie, Zhu-Lin; Ali, Azim K.; Lynch, Vincent M.; Lindahl, Paul A.; Rose, Michael J.","Structures, Interconversions, and Spectroscopy of Iron Carbonyl Clusters with an Interstitial Carbide: Localized Metal Center Reduction by Overall Cluster Oxidation.","Inorganic chemistry","2017","56","10","5998","6012","10.1021/acs.inorgchem.7b00741","","","0.71073","MoKα","","0.0468","0.0345","","","0.0894","0.1087","","","","","","1.339","","","","has coordinates","197239","2020-10-21","18:00:00",""
"4513066","18.60188","0.00063","18.60188","0.00063","7.27449","0.00048","90","","90","","90","","2517.2","0.2","298","","298","","","","","","","","","4","P 42/n n m","-P 4ac 2bc","134","","catena-1,4-bis-4'-(3',5'-dimethyl)-pyrazolato-benzene-co(ii)","","- C16 H16 Co N4 -","- C16 H16 Co N4 -","- C64 H64 Co4 N16 -","4","","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7113304","22.4999","0.0005","22.4999","0.0005","31.3098","0.0012","90","","90","","90","","15850.4","0.8","123","0.1","123","0.1","","","","","","","","6","P 42/n n m","-P 4ac 2bc","134","","","","- C208 H330 Cu6 F144 N74 P24 -","- C168 H270 Cu6 F96 N54 P16 -","- C336 H540 Cu12 F192 N108 P32 -","2","","","Anssi Peuronen; Samu Forsblom; Manu Lahtinen","Sterically controlled self-assembly of tetrahedral M6L4 cages via cationic N-donor ligands","Chem.Commun.","2014","50","","5469","","10.1039/C3CC49663E","","","1.54184","CuKα","","0.1186","0.0939","","","0.2699","0.2989","","","","","","1.021","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7118034","16.3046","0.0009","16.3046","0.0009","6.6306","0.0007","90","","90","","90","","1762.7","0.2","296","2","296","2","","","","","","","","6","P 42/n n m","-P 4ac 2bc","134","","","","- C14.5 H29.5 N6.5 Nd O5 S8 -","- C12 H16 N4 Nd S8 -","- C24 H32 N8 Nd2 S16 -","2","","","Xu, Jin; Liu, Ting; Han, Xiaohui; Wang, Shanshan; Liu, Dan; Wang, Cheng","Construction of a porous three dimensional rare earth metal-sulfur-ligand open framework.","Chemical communications (Cambridge, England)","2015","51","87","15819","15822","10.1039/c5cc05371d","","","0.71073","MoKα","","0.0704","0.0382","","","0.075","0.0864","","","","","","0.941","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7118035","16.2525","0.0009","16.2525","0.0009","6.5933","0.0008","90","","90","","90","","1741.6","0.3","120","2","120","2","","","","","","","","6","P 42/n n m","-P 4ac 2bc","134","","","","- C14.5 H29.5 N6.5 Nd O5 S8 -","- C12 H16 N4 Nd S8 -","- C24 H32 N8 Nd2 S16 -","2","","","Xu, Jin; Liu, Ting; Han, Xiaohui; Wang, Shanshan; Liu, Dan; Wang, Cheng","Construction of a porous three dimensional rare earth metal-sulfur-ligand open framework.","Chemical communications (Cambridge, England)","2015","51","87","15819","15822","10.1039/c5cc05371d","","","0.71073","MoKα","","0.0298","0.0244","","","0.057","0.0596","","","","","","1.005","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""