# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-25T09:16:09+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P c c 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
"1508062","11.4341","0.0013","12.5791","0.0014","14.7759","0.0014","90","","90","","90","","2125.2","0.4","223.1","","223.1","","","","","","","","","4","P c c m","-P 2 2c","49","","","","- C41 H20 N11 Zn -","- C41 H20 N11 Zn -","- C82 H40 N22 Zn2 -","2","0.25","","Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu","Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer.","Nature chemistry","2010","2","8","633","637","10.1038/nchem.684","","","0.7107","MoKα","","","0.0711","","","","0.0814","","","","","","0.852","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508063","11.419","0.004","12.67","0.005","14.752","0.005","90","","90","","90","","2134.3","1.3","223.1","","223.1","","","","","","","","","5","P c c m","-P 2 2c","49","","","","- C41 H16 N10 O Zn -","- C41 H16 N10 O Zn -","- C82 H32 N20 O2 Zn2 -","2","0.25","","Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu","Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer.","Nature chemistry","2010","2","8","633","637","10.1038/nchem.684","","","0.7107","MoKα","","","0.0816","","","","0.0955","","","","","","0.917","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508064","11.3749","0.0017","12.7239","0.0019","14.801","0.002","90","","90","","90","","2142.2","0.5","223.1","","223.1","","","","","","","","","4","P c c m","-P 2 2c","49","","","","- C42 H26 N10 Zn -","- C42 H26 N10 Zn -","- C84 H52 N20 Zn2 -","2","0.25","","Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu","Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer.","Nature chemistry","2010","2","8","633","637","10.1038/nchem.684","","","0.7107","MoKα","","","0.0672","","","","0.0678","","","","","","0.894","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1521868","13.065","","20.654","","11.431","","90","","90","","90","","3084.59","","","","","","","","","","","","","3","P c c m","-P 2 2c","49","","","","- Ba2 Cu2.893 O6 -","- Ba2 Cu2.89333 O6 -","- Ba36 Cu52.08 O108 -","18","2.25","","Rozhdestvenskaya, I.V.; Ivanova, T.I.; Frank-Kamenetskaya, O.V.","Crystal structure of the superconducting infinite-chain cuprate Ba2 Cu2.89 O6-y","Physica C (Amsterdam)","1999","311","","239","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526676","9.56","","5.14","","8.26","","90","","90","","90","","405.883","","","","","","","","","","","","","4","P c c m","-P 2 2c","49","","Cs Pr (Mo O4)2","","- Cs Mo2 O8 Pr -","- Cs Mo2 O8 Pr -","- Cs2 Mo4 O16 Pr2 -","2","0.25","","Klevtsova, R.F.; Klevtsov, P.V.; Vinokurov, V.A.","Crystal structure and thermal stability of cesium praseodymium molybdate, Cs Pr (Mo O4)2","Kristallografiya","1972","17","","284","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531068","6.217","","3.677","","7.794","","90","","90","","90","","178.17","","","","","","","","","","","","","2","P c c m","-P 2 2c","49","","Ta2 O5","","- O5 Ta2 -","- O5 Ta2 -","- O10 Ta4 -","2","0.25","","Aleshina, L.A.; Loginova, S.V.","Rietveld analysis of X-ray diffraction pattern from beta-(Ta2 O5) oxide","Kristallografiya","2002","47","","460","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","156388","2020-10-21","18:00:00",""
"4000896","11.616","0.003","12.503","0.003","14.891","0.004","90","","90","","90","","2162.7","1","223.1","","223.1","","","","","","","","","4","P c c m","-P 2 2c","49","","","","- C40 H22 Mn N10 -","- C40 H22 Mn N10 -","- C80 H44 Mn2 N20 -","2","0.25","","Shimomura, Satoru; Matsuda, Ryotaro; Kitagawa, Susumu","Flexibility of Porous Coordination Polymers Strongly Linked to Selective Sorption Mechanism","Chemistry of Materials","2010","22","14","4129","","10.1021/cm101410h","","","0.7107","MoKα","","","0.0841","","","","0.0945","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109909","11.361","0.005","12.645","0.006","14.775","0.007","90","","90","","90","","2122.6","1.7","223.1","","","","","","","","","","","4","P c c m","-P 2 2c","49","","","","- C40 H22 N10 Zn -","- C40 H22 N10 Zn -","- C80 H44 N20 Zn2 -","2","0.25","","Satoru Shimomura; Satoshi Horike; Ryotaro Matsuda; Susumu Kitagawa","Guest-Specific Function of a Flexible Undulating Channel in a 7,7,8,8-Tetracyano-p-quinodimethane Dimer-Based Porous Coordination Polymer","Journal of the American Chemical Society","2007","129","","10990","10991","10.1021/ja073505z","","","0.7107","MoKα","","","0.0586","","","","0.0591","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"7005416","7.6634","0.0005","9.6825","0.0007","27.1105","0.0019","90","","90","","90","","2011.6","0.2","173","2","150","2","","","","","","","","6","P c c m","-P 2 2c","49","","","","- C26 H31.8 Ag Fe2 N4 O11.4 -","- C26 H27 Ag Fe2 N4 O11.4 -","- C52 H54 Ag2 Fe4 N8 O22.8 -","2","0.25","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Warren, John E.","The stepwise formation of mixed-metal coordination networks using complexes of 3-cyanoacetylacetonate.","Dalton transactions (Cambridge, England : 2003)","2007","","24","2499","2509","10.1039/b702074k","","","0.846","Synchrotron","","0.0814","0.0646","","","0.2246","0.242","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015613","11.45","0.003","11.467","0.003","20.944","0.005","90","","90","","90","","2749.9","1.2","296","2","296","2","","","","","","","","6","P c c m","-P 2 2c","49","","","","- C42 H52 Au3 Br6 Co N11 -","- C42 H52 Au3 Br6 Co N11 -","- C84 H104 Au6 Br12 Co2 N22 -","2","0.25","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Thermally triggered reductive elimination of bromine from Au(III) as a path to Au(I)-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4140","4146","10.1039/c0dt01772h","","","0.71073","MoKα","","0.0838","0.0386","","0.0611","0.0378","0.0369","","","","","","1.0261","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015614","11.4507","0.0019","11.4635","0.0019","21.121","0.003","90","","90","","90","","2772.5","0.8","296","2","296","2","","","","","","","","6","P c c m","-P 2 2c","49","","","","- C42 H52 Au3 Br6 N11 Zn -","- C42 H52 Au3 Br6 N11 Zn -","- C84 H104 Au6 Br12 N22 Zn2 -","2","0.25","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Thermally triggered reductive elimination of bromine from Au(III) as a path to Au(I)-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4140","4146","10.1039/c0dt01772h","","","0.71073","MoKα","","0.0822","0.0379","","0.0582","0.0364","0.0349","","","","","","1.0176","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019575","7.5718","0.001","10.8468","0.0015","23.771","0.003","90","","90","","90","","1952.3","0.4","100","2","100","2","","","","","","","","6","P c c m","-P 2 2c","49","3c_100K","","","- C13 H26.5 Ag0.5 Al N2 O11 -","- C13 H15 Ag0.5 Al N2 O5 -","- C52 H60 Ag2 Al4 N8 O20 -","4","0.5","","Merkens, Carina; Becker, Nils; Lamberts, Kevin; Englert, Ulli","Bimetallic coordination networks based on Al(acacCN)(3): a building block between inertness and lability.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8594","8599","10.1039/c2dt30623a","","","0.71073","MoKα","","0.0832","0.0615","","","0.1444","0.1547","","","","","","1.085","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7043307","9.583","0.004","9.487","0.003","22.074","0.002","90","","90","","90","","2006.8","1.1","296","2","296","2","","","","","","","","6","P c c m","-P 2 2c","49","","Compound 2","","- C38 H24 N2 Ni2 O10 Si -","- C36 H22 N1.5 Ni2 O10 Si -","- C72 H44 N3 Ni4 O20 Si2 -","2","0.25","","Yang, Xiaowei; Zhang, Yuan; Li, Feng; Guo, Tiantian; Wu, Yong; Jin, Fengyan; Fang, Min; Lan, Yaqian; Li, Yafei; Zhou, Yong; Zou, Zhigang","Theoretical and experimental studies on three water-stable, isostructural, paddlewheel based semiconducting metal‒organic frameworks","Dalton Trans.","2017","","","","","10.1039/C7DT01560G","","","0.71073","MoKα","","0.0769","0.066","","","0.1781","0.185","","","","","","1.194","","","","has coordinates,has disorder","197789","2020-10-21","18:00:00",""