# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T21:11:34+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P n -3 n' 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
"1515962","18.5474","0.0014","18.5474","0.0014","18.5474","0.0014","90","","90","","90","","6380.4","0.8","298","2","298","2","","","","","","","synthesis","4","P n -3 n","-P 4a 2bc 3","222","","","","- C120 H84 N48 Zn12 -","- C120 H72 N48 O6 Zn12 -","- C240 H144 N96 O12 Zn24 -","2","","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"4002887","11.2272","0.0003","11.2272","0.0003","11.2272","0.0003","90","","90","","90","","1415.19","0.07","303","2","303","2","","","","","","","","3","P n -3 n","-P 4a 2bc 3","222","","","","- La5 Mo3 O16 -","- La5 Mo3 O16 -","- La20 Mo12 O64 -","4","","","Abeysinghe, Dileka; Huq, Ashfia; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","In Situ Neutron Diffraction Studies of the Flux Crystal Growth of the Reduced Molybdates La4Mo2O11 and Ce4Mo2O11: Revealing Unexpected Mixed-Valent Transient Intermediates and Determining the Sequence of Events during Crystal Growth","Chemistry of Materials","2018","","","","","10.1021/acs.chemmater.8b00072","","","0.71073","MoKα","","0.0451","0.0264","","","0.0681","0.0755","","","","","","1.161","","","","has coordinates","205649","2020-10-21","18:00:00",""
"4119915","39.03","0.002","39.03","0.002","39.03","0.002","90","","90","","90","","59456","5","100","2","100","2","","","","","","","","8","P n -3 n","-P 4a 2bc 3","222","","","","- C288 H200 B6.67 Cl1.33 F26.67 N16 O16 Pd4 -","- C288 H200 B6.6664 Cl1.3334 F26.6656 N16 O16 Pd4 -","- C1728 H1200 B39.9984 Cl8.0004 F159.994 N96 O96 Pd24 -","6","","","Sabrina Freye; Reent Michel; Dietmar Stalke; Martin Pawliczek; Holm Frauendorf; Guido H. Clever","Template Control over Dimerization and Guest Selectivity of Interpenetrated Coordination Cages","Journal of the American Chemical Society","2013","135","","8476","8479","10.1021/ja403184a","","","0.71073","MoKα","","0.2266","0.2212","","","0.5388","0.5471","","","","","","5.46","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4126363","39.819","0.005","39.819","0.005","39.819","0.005","90","","90","","90","","63135","14","243","2","243","2","","","","","","","","5","P n -3 n","-P 4a 2bc 3","222","","","","- C600 H660 N54 O24 Zn6 -","- C600 H660 N54 O24 Zn6 -","- C1200 H1320 N108 O48 Zn12 -","2","","","Benke, Bahiru Punja; Aich, Pulakesh; Kim, Younghoon; Kim, Kyung Lock; Rohman, Md Rumum; Hong, Soonsang; Hwang, In-Chul; Lee, Eun Hui; Roh, Joon Ho; Kim, Kimoon","Iodide-Selective Synthetic Ion Channels Based on Shape-Persistent Organic Cages.","Journal of the American Chemical Society","2017","139","22","7432","7435","10.1021/jacs.7b02708","","","0.9","synchrotron","","0.1784","0.14","","","0.3715","0.4396","","","","","","1.548","","","","has coordinates,has disorder","200242","2020-10-21","18:00:00",""
"7034707","37.5708","0.00016","37.5708","0.00016","37.5708","0.00016","90","","90","","90","","53033.6","0.4","120","","120","","","","","","","","","5","P n -3 n","-P 4a 2bc 3","222","","","","- C69 H108 Cu8 N8 O29 -","- C64 H88 Cu8 N8 O24 -","- C1536 H2112 Cu192 N192 O576 -","24","","","Frost, Jamie M.; Stirling, Robert J.; Sanz, Sergio; Vyas, Nidhi; Nichol, Gary S.; Rajaraman, Gopalan; Brechin, Euan K.","Turning a ""useless"" ligand into a ""useful"" ligand: a magneto-structural study of an unusual family of Cu(II) wheels derived from functionalised phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10177","10187","10.1039/c5dt00884k","","x-ray","1.54184","CuKα","","0.0575","0.0467","","","0.1303","0.1404","","","","","","1.063","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7040157","16.3992","0.0007","16.3992","0.0007","16.3992","0.0007","90","","90","","90","","4410.3","0.3","293","2","293","2","","","","","","","","6","P n -3 n","-P 4a 2bc 3","222","","","","- C24 H26 B2 Co F8 N6 -","- C24 H26 B2 Co F8 N6 -","- C144 H156 B12 Co6 F48 N36 -","6","","","Cho, Yae In; Ward, Meredith L.; Rose, Michael J.","Substituent effects of N4 Schiff base ligands on the formation of fluoride-bridged dicobalt(ii) complexes via B-F abstraction: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13466","13476","10.1039/c6dt02104b","","","0.71073","MoKα","","0.1356","0.1248","","","0.3887","0.3961","","","","","","1.189","","","","has coordinates,has disorder","186401","2020-10-21","18:00:00",""
"7044697","24.409","0.0003","24.409","0.0003","24.409","0.0003","90","","90","","90","","14542.9","0.3","298","","298","","","","","","","","","7","P n -3 n","-P 4a 2bc 3","222","","","","- C204 H252 Cu8 F42 N60 P7 S24 -","- C204 H252 Cu8 F42 N60 P7.00008 S24 -","- C408 H504 Cu16 F84 N120 P14.0002 S48 -","2","","","Katam, Srinivas; Ganesan, Prabusankar","Large CuI8 Chalcogenone Cubic Cages with Non-interacting Counter Ion","Dalton Transactions","2017","","","","","10.1039/C7DT03796A","","","1.54184","CuKα","","0.0496","0.041","","","0.1338","0.1432","","","","","","1.0053","","","","has coordinates","202939","2020-10-21","18:00:00",""
"7044698","24.82051","0.00014","24.82051","0.00014","24.82051","0.00014","90","","90","","90","","15290.9","0.15","298","","298","","","","","","","","","7","P n -3 n","-P 4a 2bc 3","222","","","","- C204 H252 Cu8 F36 N60 P6 Se24 -","- C204 H252 Cu8 F36 N60 P6 Se24 -","- C408 H504 Cu16 F72 N120 P12 Se48 -","2","","","Katam, Srinivas; Ganesan, Prabusankar","Large CuI8 Chalcogenone Cubic Cages with Non-interacting Counter Ion","Dalton Transactions","2017","","","","","10.1039/C7DT03796A","","","1.54184","CuKα","","0.0478","0.0359","","","0.0893","0.0979","","","","","","1.011","","","","has coordinates","202939","2020-10-21","18:00:00",""
"7117383","17.1065","0.0012","17.1065","0.0012","17.1065","0.0012","90","","90","","90","","5005.9","0.6","130.8","0.14","130.8","0.14","","","","","","","","6","P n -3 n","-P 4a 2bc 3","222","","","","- C16 H24 Gd3 Mn2 N48 O16 -","- C16 H24 Gd3 Mn2 N48 O16 -","- C64 H96 Gd12 Mn8 N192 O64 -","4","","","Huan-Cheng Hu; Xiao-Min Kang; Chun-Shuai Cao; Peng Cheng; Bin Zhao","First tetrazole-bridged d-f heterometallic MOFs with a large magnetic entropy change","Chem.Commun.","2015","51","","10850","","10.1039/C5cc03670D","","","0.71073","MoKα","","0.0937","0.055","","","0.1571","0.1824","","","","","","1.07","","","","has coordinates","139856","2020-10-21","18:00:00",""
"7122374","23.686","0.005","23.686","","23.686","","90","","90","","90","","13288","3","296","2","296.15","","","","","","","","","4","P n -3 n","-P 4a 2bc 3","222","","","","- C80 H80 Ag18 Cl -","- C80 H80 Ag18 Cl -","- C480 H480 Ag108 Cl6 -","6","","","Zhang, Shanshan; Su, Hai-Feng; Zhuang, Gui-lin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lansun","A Hexadecanuclear Silver Alkynyl Cluster Based NbO Framework with Triple Emissions from Visible to Near-Infrared II Region","Chemical Communications","2018","","","","","10.1039/C8CC06683C","","","0.71073","MoKα","","0.1605","0.0637","","","0.1519","0.2347","","","","","","1.012","","","","has coordinates","211162","2020-10-21","18:00:00",""