# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-27T04:17:15+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 6 2 2' 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
"1514748","32.0273","0.0003","32.0273","0.0003","29.1427","0.0007","90","","90","","120","","25888.2","0.7","123","2","123","2","","","","","","","","6","P 6 2 2","P 6 2","177","","","","- C160 H178 Cd3 N14 O27 Ti4 -","- C159.99 H171.99 Cd3 N14.01 O27 Ti4 -","- C639.96 H687.96 Cd12 N56.04 O108 Ti16 -","4","0.333333","","Xuan, Weimin; Ye, Chengcheng; Zhang, Mengni; Chen, Zhijie; Cui, Yong","A chiral porous metallosalan-organic framework containing titanium-oxo clusters for enantioselective catalytic sulfoxidation","Chemical Science","2013","4","8","3154","","10.1039/c3sc50487e","","","1.54178","CuKα","","0.1267","0.0966","","","0.2253","0.2452","","","","","","1.155","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514970","22.2009","0.0005","22.2009","0.0005","12.58554","0.00019","90","","90","","120","","5372.09","0.19","150","","150","","","","","","","","","8","P 6 2 2","P 6 2","177","","","","- C56 H48 Ag2 B Cl F4 N12 O4 -","- C56 H48 Ag2 B Cl F4 N12 O4 -","- C168 H144 Ag6 B3 Cl3 F12 N36 O12 -","3","0.25","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0769","0.0688","","","0.1874","0.1963","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1539827","8.532","","8.532","","4.175","","90","","90","","120","","263.202","","","","","","","","","","","","","3","P 6 2 2","P 6 2","177","","Al2.89 Fe14.11 Tb2","","- Al3.23 Fe15.77 Tb2 -","- Al3.23 Fe15.77 Tb2 -","- Al3.23 Fe15.77 Tb2 -","1","0.0833333","","Boller, H.; Oesterreicher, H.","Tb2(Fe0.832 Al0.168)17: a simple crystal structure derived by disordered substitutions in the Th2 Ni17 type","Journal of the Less-Common Metals","1976","45","","103","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","168882","2020-10-21","18:00:00",""
"1569204","49.4947","0.0007","49.4947","0.0007","35.6973","0.0005","90","","90","","120","","75732.7","1.8","100","2","100","","","","","","","","","4","P 6 2 2","P 6 2","177","","","","- C192 H96 O64 S16 -","- C192 H96 O64 S16 -","- C1152 H576 O384 S96 -","6","0.5","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","0.97625","Synchrotron","","0.1871","0.1083","","","0.274","0.3616","","","","","","0.918","","","","has coordinates","286055","2023-09-05","19:15:40",""
"1570682","3.266","","3.266","","1.1547","","90","","90","","120","","10.667","","","","","","","","","","","","","3","P 6 2 2","P 6 2","177","","","","- C4 N2 O -","- C4 N2 O -","- C12 N6 O3 -","3","0.25","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:04",""
"2233730","13.056","0.002","13.056","0.003","12.48","0.003","90","","90","","120","","1842.3","0.7","293","2","293","2","","","","","","","","6","P 6 2 2","P 6 2","177","","Tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) tris(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)ferrate((III) monohydrate","","- C36 H26 Co Fe N6 O13 -","- C36 H26.001 Co Fe N6 O13 -","- C72 H52.002 Co2 Fe2 N12 O26 -","2","0.166667","BR2188","Chygorin, Eduard N.; Petrusenko, Svitlana R.; Kokozay, Volodymyr N.; Omelchenko, Irina V.; Shishkin, Oleg V.","Tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) tris(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)ferrate(III) monohydrate","Acta Crystallographica Section E","2012","68","3","m233","m234","10.1107/S1600536812003224","","","0.71073","MoKα","","0.0852","0.0625","","","0.1451","0.1546","","","","","","1.038","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"4135145","25.93","0.003","25.93","0.003","17.8","0.004","90","","90","","120","","10365","3","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C62 H52 N4 Ni O2 -","- C62 H52 N4 Ni O2 -","- C372 H312 N24 Ni6 O12 -","6","0.5","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","0.7","synchrotron","","0.1036","0.0872","","","0.2467","0.2644","","","","","","1.009","","","","has coordinates","255125","2020-10-21","18:00:00",""
"4135147","25.8466","0.0008","25.8466","0.0008","18.0005","0.0004","90","","90","","120","","10414.1","0.5","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C62 H52 Br2 N4 Ni -","- C62 H52 Br2 N4 Ni -","- C372 H312 Br12 N24 Ni6 -","6","0.5","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","1.54184","CuKα","","0.098","0.0901","","","0.2482","0.2583","","","","","","1.15","","","","has coordinates","255127","2020-10-21","18:00:00",""
"4135148","25.912","0.0008","25.912","0.0008","17.7714","0.0004","90","","90","","120","","10333.7","0.5","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C62 H52 Cl2 N4 Ni -","- C62 H52 Cl2 N4 Ni -","- C372 H312 Cl12 N24 Ni6 -","6","0.5","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","1.54184","CuKα","","0.1054","0.0796","","","0.2159","0.2354","","","","","","1.002","","","","has coordinates,has disorder","255128","2020-10-21","18:00:00",""
"4135149","25.738","0.0018","25.738","0.0018","17.9031","0.001","90","","90","","120","","10270.9","1.2","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C62 H52 N4 Ni O2 -","- C62 H52 N4 Ni O2 -","- C372 H312 N24 Ni6 O12 -","6","0.5","","Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.","Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05384","","","1.54184","CuKα","","0.1124","0.1031","","","0.295","0.3052","","","","","","1.293","","","","has coordinates","255129","2020-10-21","18:00:00",""
"7102453","25.0265","0.0017","25.0265","0.0017","7.7474","0.0011","90","","90","","120","","4202.3","0.7","150","2","150","2","","","","","","","","6","P 6 2 2","P 6 2","177","","","","- C84 H180 Cl12 Fe12 N12 O96 -","- C84 H180 Cl12 Fe12 N12 O96 -","- C84 H180 Cl12 Fe12 N12 O96 -","1","0.0833333","","Abu-Nawwas, Abd-Alhakeem H; Cano, Joan; Christian, Paul; Mallah, Talal; Rajaraman, Gopalan; Teat, Simon J; Winpenny, Richard E P; Yukawa, Yasuhiko","An FeIII wheel with a zwitterionic ligand: the structure and magnetic properties of [Fe(OMe)2(proline)]12[ClO4]12.","Chemical communications (Cambridge, England)","2004","","3","314","315","10.1039/b312947k","","","0.6938","synchrotron","","0.0783","0.0722","","","0.2139","0.2187","","","","","","1.132","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7705304","24.8348","0.0011","24.8348","0.0011","12.1765","0.0005","90","","90","","120","","6503.9","0.5","100","2","100","2","","","","","","","","5","P 6 2 2","P 6 2","177","","","","- C14 H22 Cl2 N2 Pt -","- C14 H22 Cl2 N2 Pt -","- C168 H264 Cl24 N24 Pt12 -","12","1","","Bakhonsky, Vladyslav V.; Pashenko, Aleksander A.; Becker, Jonathan; Hausmann, Heike; De Groot, Huub J. M.; Overkleeft, Herman S.; Fokin, Andrey A.; Schreiner, Peter R.","Synthesis and antiproliferative activity of hindered, chiral 1,2-diaminodiamantane platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14009","14016","10.1039/d0dt02391d","","","0.71073","MoKα","","0.0323","0.0271","","","0.0618","0.0639","","","","","","1.047","","","","has coordinates","258839","2020-11-06","12:15:49",""
"9017773","5.257","","5.257","","8.955","","90","","90","","120","","214.325","","","","","","","","","","","","Synthetic","4","P 6 2 2","P 6 2","177","","","","- As4 Br K O6 -","- As4 Br K O6 -","- As4 Br K O6 -","1","0.0833333","","Pertlik, F.","The compounds KAs4O6X (X=Cl,Br,I) and NH4As4O6X (X=Br,I): Hydrothermal syntheses and structure determinations","Monatshefte fur Chemie","1988","119","","451","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""