# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-07T01:27:55+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 42/n b c' 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
"1545476","15.784","0.003","15.784","0.003","31.144","0.005","90","","90","","90","","7759","2","293","2","293","2","","","","","","","","4","P 42/n b c","-P 4ac 2b","133","SCU-100","","","- C37 H28 Ag2 N8 -","- C37 H28 Ag2 N8 -","- C296 H224 Ag16 N64 -","8","","","Sheng, Daopeng; Zhu, Lin; Xu, Chao; Xiao, Chengliang; Wang, Yanlong; Wang, Yaxing; Chen, Lanhua; Diwu, Juan; Chen, Jing; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Efficient and Selective Uptake of TcO4(-) by a Cationic Metal-Organic Framework Material with Open Ag(+) Sites.","Environmental science & technology","2017","","","","","10.1021/acs.est.7b00339","","","0.71073","MoKα","","0.1513","0.0931","","","0.312","0.3541","","","","","","1.069","","","","has coordinates","193661","2020-10-21","18:00:00",""
"1548018","17.856","0.006","17.856","0.006","12.787","0.007","90","","90","","90","","4077","3","438","2","438","2","","","","","","","","4","P 42/n b c","-P 4ac 2b","133","C10 H8.50 N O2","","","- C10 H8.5 N O2 -","- C10 H8.5 N O2 -","- C160 H136 N16 O32 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.2123","0.1735","","","0.4425","0.4742","","","","","","0.913","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548019","17.491","0.009","17.491","0.009","12.915","0.007","90","","90","","90","","3951","4","303","2","303","2","","","","","","","","4","P 42/n b c","-P 4ac 2b","133","C10 H8.50 N O2","","","- C10 H8.5 N O2 -","- C10 H6.5 N O2 -","- C160 H104 N16 O32 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.3202","0.2921","","","0.6352","0.6533","","","","","","0.935","","","","has coordinates","203134","2020-10-21","18:00:00",""
"1548020","17.289","0.006","17.289","0.006","12.957","0.004","90","","90","","90","","3873","2","123","2","123","2","","","","","","","","4","P 42/n b c","-P 4ac 2b","133","C10 H8.50 N O2","","","- C10 H8.5 N O2 -","- C10 H6.5 N O2 -","- C160 H104 N16 O32 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.3197","0.2856","","","0.5842","0.6084","","","","","","0.985","","","","has coordinates","203135","2020-10-21","18:00:00",""
"4086022","15.714","0.002","15.714","0.002","24.66","0.005","90","","90","","90","","6089.3","1.7","100","2","100","2","","","","","","","","5","P 42/n b c","-P 4ac 2b","133","Compound_13","","","- C52 H92 S2 Si4 Ti2 -","- C52 H92 S2 Si4 Ti2 -","- C208 H368 S8 Si16 Ti8 -","4","","","Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F Geoffrey N","The Reductive Activation of CO2 Across a Ti=Ti Double Bond: Synthetic, Structural, and Mechanistic Studies.","Organometallics","2015","34","20","4816","4829","10.1021/acs.organomet.5b00315","","","0.71073","MoKα","","0.1026","0.0864","","","0.171","0.1786","","","","","","1.28","","","","has coordinates,has disorder","301831","2025-08-20","13:52:29",""
"7042829","16.3357","0.0002","16.3357","0.0002","12.9557","0.0004","90","","90","","90","","3457.29","0.12","293","2","293","2","","","","","","","","5","P 42/n b c","-P 4ac 2b","133","","","","- C28 H30 Cu N14 O15 -","- C28 H30 Cu N14 O15 -","- C112 H120 Cu4 N56 O60 -","4","","","Kumbhar, Avinash; Tayade, Sakharam B.; Dhavale, Vishal Mahesh; Kurungot, Sreekumar; Hey-Hawkins, Evamarie; Lönnecke, Peter; Pujari, Bhalchandra","Proton Conduction in a Hydrogen-Bonded Complex of Copper(II)-Bipyridine Glycoluril Nitrate","Dalton Trans.","2017","","","","","10.1039/C7DT00425G","","","0.71073","MoKα","","0.08","0.0595","","","0.1662","0.1836","","","","","","1.067","","","","has coordinates,has disorder","195839","2020-10-21","18:00:00",""
"7042924","15.4761","0.0003","15.4761","0.0003","12.3453","0.0003","90","","90","","90","","2956.82","0.11","120","","120","","","","","","","","","6","P 42/n b c","-P 4ac 2b","133","","","","- C14 H16 Cl2 Cr N3 O2 -","- C12 H13 Cl2 Cr N2 O2 -","- C96 H104 Cl16 Cr8 N16 O16 -","8","","","Brechin, Euan K.; Fraser, Hector; Nichol, Gary Stephen; Velmurugan, Gunasekaran; Rajaraman, Gopalan","Magneto-structural correlations in a family of dialkoxo bridged chromium dimers","Dalton Trans.","2017","","","","","10.1039/C7DT01197K","","x-ray","0.71073","MoKα","","0.0491","0.0489","","","0.1086","0.1087","","","","","","1.33","","","","has coordinates,has disorder","196569","2020-10-21","18:00:00",""
"7118626","30.871","0.003","30.871","0.003","10.6581","0.0014","90","","90","","90","","10157.4","1.9","296","2","296","2","","","","","","","","6","P 42/n b c","-P 4ac 2b","133","","","","- C74 H54 N2 Na2 O10 Zn -","- C74 H54 N2 Na2 O10 Zn -","- C296 H216 N8 Na8 O40 Zn4 -","4","","","Chen, Dashu; Xing, Hongzhu; Su, Zhongmin; Wang, Chungang","Electrical conductivity and electroluminescence of a new anthracene-based metal-organic framework with π-conjugated zigzag chains.","Chemical communications (Cambridge, England)","2016","52","10","2019","2022","10.1039/c5cc09065b","","","0.71073","MoKα","","0.1121","0.0581","","","0.1666","0.2018","","","","","","0.978","","","","has coordinates","175124","2020-10-21","18:00:00",""
"9002659","26.818","","26.818","","13.365","","90","","90","","90","","9612.18","","","","","","","","","","","","","4","P 42/n b c","","","","","Melanophlogite","- C Mg3 O46 Si23 -","- C Mg3 O46 Si23 -","- C8 Mg24 O368 Si184 -","8","","","Nakagawa, T.; Kihara, K.; Harada, K.","The crystal structure of low melanophlogite","American Mineralogist","2001","86","","1506","1512","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:05",""