# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T04:26:28+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 2 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
"1522303","10.17","","7.418","","3.79","","90","","90","","90","","285.922","","","","","","","","","","","","","3","P 2 2 2","P 2 2","16","","Pr0.2 W O3","","- O3 Pr0.2 W -","- O3 Pr0.2 W -","- O15 Pr W5 -","5","1.25","","Zakharov, N.D.; Werner, P.; Zibrov, I.P.; Filonenko, V.P.; Sundberg, M.R.","Intergrowth tungsten bronze structures of Prx W O3, formed at 50 kbar: an HRTEM study","Journal of Solid State Chemistry","1999","147","","536","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528186","5.61","","5.67","","9.05","","90","","90","","90","","287.869","","","","","","","","","","","","","3","P 2 2 2","P 2 2","16","","Al (P S4)","","- Al P S4 -","- Al P S4 -","- Al2 P2 S8 -","2","0.5","","Weiss, A.; Schaefer, H.","Zur Kenntnis von Aluminiumthiophosphat Al P S4","Naturwissenschaften","1960","47","","495","495","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002439","14.17","","12.73","","10.32","","90","","90","","90","","1861.56","","","","","","","","","","","","","2","P 2 2 2","P 2 2","16","","Si O2","","- O2 Si -","- O2 Si -","- O64 Si32 -","32","8","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4030759","9.9","0.0008","7.1889","0.0006","4.1074","0.0004","90","","90","","90","","292.32","0.04","","","293","","","","","","","","","3","P 2 2 2","P 2 2","16","","","","- Mo5 O16 U0.75 -","- Mo5 O16 U0.75 -","- Mo5 O16 U0.75 -","1","0.25","","Tabachenko, V. V.; D Yachenko, O. G.; Sundberg, M.","The crystal structures of UMo5O16 and U0.75Mo5O16 studies by X-ray diffraction and high-resolution electron microscopy","European Journal of Solid State and Inorganic Chemistry","1995","32","","1137","1149","","","x-ray","0.71073","MoKα","","","0.056","","","0.048","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030760","9.885","0.0007","7.1672","0.0007","4.1332","0.0003","90","","90","","90","","292.83","0.04","","","293","","","","","","","","","3","P 2 2 2","P 2 2","16","","","","- Mo5 O16 U -","- Mo5 O16 U -","- Mo5 O16 U -","1","0.25","","Tabachenko, V. V.; D Yachenko, O. G.; Sundberg, M.","The crystal structures of UMo5O16 and U0.75Mo5O16 studies by X-ray diffraction and high-resolution electron microscopy","European Journal of Solid State and Inorganic Chemistry","1995","32","","1137","1149","","","x-ray","0.71073","MoKα","","","0.06","","","0.058","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4324835","11.1996","0.0015","15.786","0.002","26.213","0.004","90","","90","","90","","4634.4","1.1","100","2","100","2","","","","","","","","7","P 2 2 2","P 2 2","16","","","","- C150 H244 Cl Mn N29 O36 Zn2 -","- C72 H62 Cl Mn N3 O10 Zn2 -","- C72 H62 Cl Mn N3 O10 Zn2 -","1","0.25","","Abraham M. Shultz; Omar K. Farha; Debashis Adhikari; Amy A. Sarjeant; Joseph T. Hupp; SonBinh T. Nguyen","Selective Surface and Near-Surface Modification of a Noncatenated, Catalytically Active Metal-Organic Framework Material Based on Mn(salen) Struts","Inorganic Chemistry","2011","50","","3174","3176","10.1021/ic101952y","","","1.54178","CuKα","","0.2611","0.1386","","","0.3131","0.374","","","","","","0.789","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4519156","20.541","0.003","21.748","0.003","21.85","0.003","90","","90","","90","","9761","2","296","2","296.15","","","","","","","","","5","P 2 2 2","P 2 2","16","","","","- C90 H110 B20 N2 O4 -","- C90 H110 B20 N2 O4 -","- C360 H440 B80 N8 O16 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.1428","0.0683","","","0.1512","0.1897","","","","","","0.957","","","","has coordinates","271026","2021-12-03","20:44:11",""
"5910234","5.61","","5.67","","9.05","","90","","90","","90","","287.869","","","","","","","","","","","","","3","P 2 2 2","P 2 2","16","","","","- Al P S4 -","- Al2 P2 S20 -","- Al2 P2 S20 -","","","","Wyckoff, R. W. G.","Page 36 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","36","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"7018354","7.7092","0.0008","9.1132","0.001","12.2839","0.0013","90","","90","","90","","863.01","0.16","100","2","100","2","","","","","","","","6","P 2 2 2","P 2 2","16","5b","","","- C24 H26 Ag Eu N4 O9 -","- C24 H26 Ag Eu N4 O9 -","- C24 H26 Ag Eu N4 O9 -","1","0.25","","Merkens, Carina; Englert, Ulli","Ordered bimetallic coordination networks featuring rare earth and silver cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4664","4673","10.1039/c2dt11772j","","","0.71073","MoKα","","0.0338","0.0334","","","0.098","0.0983","","","","","","1.194","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018355","7.6835","0.0002","8.6805","0.0002","12.354","0.0003","90","","90","","90","","823.97","0.03","100","2","100","2","","","","","","","","6","P 2 2 2","P 2 2","16","6b","","","- C26 H29 Ag N5 O9 Yb -","- C26 H29 Ag N5 O9 Yb -","- C26 H29 Ag N5 O9 Yb -","1","0.25","","Merkens, Carina; Englert, Ulli","Ordered bimetallic coordination networks featuring rare earth and silver cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4664","4673","10.1039/c2dt11772j","","","1.54178","CuKα","","0.0326","0.0322","","","0.0848","0.0855","","","","","","1.212","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7121474","33.966","0.007","19.359","0.004","26.794","0.005","90","","90","","90","","17618","6","100","2","100","2","","","","","","","","5","P 2 2 2","P 2 2","16","","","","- C384 H396 N108 O12 Pt24 -","- C384 H396 N108 O12 Pt24 -","- C384 H396 N108 O12 Pt24 -","1","0.25","","Bhat, Imtiyaz Ahmad; Devaraj, Anthonisamy; Howlader, Prodip; Chi, Ki-Whan; Mukherjee, Partha Sarathi","Preparation of a chiral Pt<sub>12</sub> tetrahedral cage and its use in catalytic Michael addition reaction.","Chemical communications (Cambridge, England)","2018","54","38","4814","4817","10.1039/c8cc01487f","","","0.7","synchrotron","","0.1046","0.0735","","","0.2036","0.2177","","","","","","0.976","","","","has coordinates","228591","2020-10-21","18:00:00",""
"7126630","19.018","0.002","19.679","0.002","26.25","0.003","90","","90","","90","","9824.2","1.8","173","","173","","","","","","","","","5","P 2 2 2","P 2 2","16","","","","- C50.5 H113 Ag21 Cl5 S12 -","- C50.5 H113 Ag21 Cl5 S12 -","- C202 H452 Ag84 Cl20 S48 -","4","1","","Chen, Tao; Yang, Sha; Song, Yongbo; Chai, Jinsong; Li, Qinzhen; Ma, Xiangyu; Li, Guang; Yu, Haizhu; Zhu, Manzhou","All-thiolate-stabilized Ag<sub>42</sub> nanocluster with a tetrahedral kernel and its transformation to an Ag<sub>61</sub> nanocluster with a bi-tetrahedral kernel.","Chemical communications (Cambridge, England)","2020","56","55","7605","7608","10.1039/d0cc02537b","","","0.71073","MoKα","","0.1157","0.0866","","","0.2111","0.2415","","","","","","1.029","","","","has coordinates,has disorder","254862","2020-10-21","18:00:00",""
"7218479","9.9519","0.0003","10.6977","0.0003","30.4347","0.001","90","","90","","90","","3240.15","0.17","150","2","150","2","","","","","","","","7","P 2 2 2","P 2 2","16","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetrapentylammonium bromide","","- C52 H60 Br F16 I4 N O4 -","- C52 H60 Br F16 I4 N O4 -","- C104 H120 Br2 F32 I8 N2 O8 -","2","0.5","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","x-ray","0.71073","MoKα","","0.0781","0.0568","","","0.1532","0.1711","","","","","","1.162","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7238857","14.242","0.003","14.278","0.003","14.332","0.004","90","","90","","90","","2914.4","1.2","95","2","95","2","","","","","","","","5","P 2 2 2","P 2 2","16","HHU-3","","","- C36 H20 Co4 N6 O7 -","- C36 H20 Co4 N6 O7 -","- C36 H20 Co4 N6 O7 -","1","0.25","","Heering, Christian; Boldog, Ishtvan; Vasylyeva, Vera; Sanchiz, Joaquín; Janiak, Christoph","Bifunctional pyrazolate‒carboxylate ligands for isoreticular cobalt and zinc MOF-5 analogs with magnetic analysis of the {Co4(μ4-O)} node","CrystEngComm","2013","15","45","9757","","10.1039/c3ce41426d","","","1.54178","CuKα","","0.112","0.0691","","","0.1453","0.1574","","","","","","0.923","","","","has coordinates,has disorder","244403","2020-10-21","18:00:00",""
"8000222","7.8157","","7.8344","","7.9067","","90","","90","","90","","484.138","","","","","","","","","","","","","4","P 2 2 2","P 2 2","16","","La0.667 (Mg0.5 W0.5) O3","","- La0.667 Mg0.5 O3 W0.5 -","- La0.6665 Mg0.5 O3 W0.5 -","- La5.332 Mg4 O24 W4 -","8","2","","Torii, Y.","Synthesis and superstructure of La0.667 (Mg0.5 W0.5)3","Chemistry Letters","1979","1979","","1215","1218","","","","","","","","","","","","","","","","","","","","","","has coordinates","159938","2020-10-21","18:00:00",""
"9011156","10.705","","10.734","","31.63","","90","","90","","90","","3634.52","","","","","","","","","","","","Lydenburg District, Transvaal, South Africa","3","P 2 2 2","P 2 2","16","","","Haycockite","- Cu4 Fe5 S8 -","- Cu4 Fe5 S8 -","- Cu48 Fe60 S96 -","12","3","","Rowland, J. F.; Hall, S. R.","Haycockite, Cu4Fe5S8: a superstructure in the chalcopyrite series","Acta Crystallographica, Section B","1975","31","","2105","2112","10.1107/S0567740875006929","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9017171","11.167","","11.164","","11.162","","90","","90","","90","","1391.55","","","","","","","","","","","","Poudrette quarry, Mont Saint-Hilaire, Quebec, Canada","7","P 2 2 2","P 2 2","16","","","Peatite-(Y)","- C F2 Li Na3 O15 P3 Y3 -","- C F2 Li Na3 O15 P3 Y3 -","- C4 F8 Li4 Na12 O60 P12 Y12 -","4","1","","McDonald, A. M.; Back, M. E.; Gault, R. A.; Horvath, L.","Peatite-(Y) and ramikite-(Y), two new Na-Li-Y±Zr phosphate-carbonate minerals from the Poudrette pegmatite, Mont Saint-Hilaire, Quebec","The Canadian Mineralogist","2013","51","","569","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""