# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T18:30:21+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 2 3' 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
"1010043","6.12","0.05","6.12","0.05","6.12","0.05","90","","90","","90","","229.2","","","","","","","","","","","","","2","P 2 3","P 2 2 3","195","","Tin(IV) tetraiodide","","- I4 Sn -","- I4 Sn -","- I4 Sn -","1","0.0833333","","Ott, H.","Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2; Präzisionsmessungen einiger Alkalihalogenide","Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie","1926","63","","222","230","10.1524/zkri.1926.63.1.222","","","","","","","","","","","","","","","","","","","","","has coordinates","259054","2020-11-09","11:00:07",""
"1510359","9.901","","9.901","","9.901","","90","","90","","90","","970.593","","","","","","","","","","","","","3","P 2 3","P 2 2 3","195","","Ba (Au F6)2","","- Au2 Ba F12 -","- Au2 Ba F12 -","- Au8 Ba4 F48 -","4","0.333333","","Popov, A.I.; Val'kovskii, M.D.; Kiselev, Yu.M.; Chumaevskii, N.A.; Spirin, S.N.; Sokolov, V.B.","Structure of fluoroaurates(V) earth alkali elements","Zhurnal Neorganicheskoi Khimii","1990","35","","1970","1977","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513863","23.9647","0.0014","23.9647","0.0014","23.9647","0.0014","90","","90","","90","","13763.1","1.4","296","2","296","2","","","","","","","","4","P 2 3","P 2 2 3","195","","","","- C33 H24.67 O13 Zn2.67 -","- C33 H24.67 O12.33 Zn2.44333 -","- C396 H296.04 O147.96 Zn29.32 -","12","1","","Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian","Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption","Chemical Science","2014","5","4","1368","","10.1039/c3sc52666f","","","0.71073","MoKα","","0.1705","0.0966","","","0.2585","0.2899","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1522334","8.10807","","8.10807","","8.10807","","90","","90","","90","","533.031","","","","","","","","","","","","","4","P 2 3","P 2 2 3","195","","Dy Ba4 Cu3 O9.09","","- Ba4 Cu3 Dy O9.09 -","- Ba4 Cu3 Dy O9.09 -","- Ba8 Cu6 Dy2 O18.18 -","2","0.166667","","Zhu, Y.T.; Coulter, J.Y.; Peterson, E.J.; Baldonado, P.S.; Mueller, F.M.; Peterson, D.E.","Synthesis and crystal chemistry of the new compounds Gd Ba4 Cu3 O8.5+d and Dy Ba4 Cu3 O8.5+d","Journal of Materials Research","1999","14","","334","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532078","9.077","","9.077","","9.077","","90","","90","","90","","747.872","","","","","","","","","","","","","6","P 2 3","P 2 2 3","195","","Na6.34 Ca1.66 (Al6 Si6 O24) ((S O4)0.88 S1.26)","","- Al6 Ca1.66 Na6.34 O27.52 S2.14 Si6 -","- Al6 Ca1.656 Na6.344 O27.52 S2.14 Si6 -","- Al6 Ca1.656 Na6.344 O27.52 S2.14 Si6 -","1","0.0833333","","Rastsvetaeva, R.K.; Chapuis, G.; Sapozhnikov, A.N.; Bolotina, N.B.; Kashaev, A.A.; Schoenleber, A.","Average structure of cubic lazurite with a three-dimensional incommensurate modulation","Kristallografiya","2002","47","","449","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","157698","2020-10-21","18:00:00",""
"1536127","10.35","","10.35","","10.35","","90","","90","","90","","1108.72","","","","","","","","","","","","","5","P 2 3","P 2 2 3","195","","(N2 H6) Na (Co (N O2)6)","","- Co H6 N8 Na O12 -","- Co N8 Na O12 -","- Co4 N32 Na4 O48 -","4","0.333333","","Ferrari, A.; Nardelli, M.","La struttura del cobaltinitrito di sodio e idrazina","Gazzetta Chimica Italiana","1947","77","","422","426","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4111890","24.0656","0.0007","24.0656","0.0007","24.0656","0.0007","90","","90","","90","","13937.7","0.7","293","2","293","2","","","","","","","","7","P 2 3","P 2 2 3","195","MOL-1CdSeS-TPhP","","","- C384 H328 Cd54 O4 P4 S48 Se32 -","- C65.28 Cd54 O4 S48 Se32 -","- C65.28 Cd54 O4 S48 Se32 -","1","0.0833333","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.2104","0.0865","","","0.2974","0.4035","","","","","","1.23","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4341121","24.3499","0.0019","24.3499","0.0019","24.3499","0.0019","90","","90","","90","","14437","2","103","2","103","2","","","","","","","","6","P 2 3","P 2 2 3","195","","","","- C150 H132 Cl6 Cu6 O6 P6 -","- C150 H132 Cl6 Cu6 O6 P6 -","- C600 H528 Cl24 Cu24 O24 P24 -","4","0.333333","","Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.","A one-pot diastereoselective self assembly of C-stereogenic copper(i) diphosphine clusters.","Inorganic chemistry","2014","53","19","10232","10239","10.1021/ic501233w","","","0.71073","MoKα","","0.2083","0.1173","","","0.3159","0.3854","","","","","","1.313","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4344941","43.0255","0.0002","43.0255","0.0002","43.0255","0.0002","90","","90","","90","","79648.5","0.6","173","2","173","2","","","","","","","","6","P 2 3","P 2 2 3","195","","","","- C40 H138 Cl5 Dy9 N4 O94 -","- C40 H64 Dy9 N4 O49 -","- C960 H1536 Dy216 N96 O1176 -","24","2","","Zheng, Xiu-Ying; Peng, Jun-Bo; Livera, M M Varuni S; Luo, Yun; Wang, Ya-Yun; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Zhiping; Zheng, Lan-Sun","Selective Formation of Chromogen I from N-Acetyl-d-glucosamine upon Lanthanide Coordination.","Inorganic chemistry","2017","56","1","110","113","10.1021/acs.inorgchem.6b02589","","","0.71073","MoKα","","0.1294","0.0767","","","0.1614","0.1808","","","","","","0.955","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4344942","43.0069","0.0003","43.0069","0.0003","43.0069","0.0003","90","","90","","90","","79545.3","1","120","2","120","2","","","","","","","","6","P 2 3","P 2 2 3","195","","","","- C40 H138 Cl5 Gd9 N4 O94 -","- C40 H64 Gd9 N4 O49 -","- C960 H1536 Gd216 N96 O1176 -","24","2","","Zheng, Xiu-Ying; Peng, Jun-Bo; Livera, M M Varuni S; Luo, Yun; Wang, Ya-Yun; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Zhiping; Zheng, Lan-Sun","Selective Formation of Chromogen I from N-Acetyl-d-glucosamine upon Lanthanide Coordination.","Inorganic chemistry","2017","56","1","110","113","10.1021/acs.inorgchem.6b02589","","","0.71073","MoKα","","0.1621","0.0953","","","0.225","0.2609","","","","","","0.95","","","","has coordinates","253039","2020-10-21","18:00:00",""
"5900021","9.85","","9.85","","9.85","","90","","90","","90","","955.67","","","","","","","","","","","","","4","P 2 3","","195","","Tetramethyl silicate","","- C4 H12 O4 Si -","- C4 H12 O4 Si -","- C16 H48 O16 Si4 -","4","0.333333","","","","Strukturbericht","","2","","803","","","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"7102994","22.272","0.003","22.272","0.003","22.272","0.003","90","","90","","90","","11049","2","160","2","160","2","","","","","","","","5","P 2 3","P 2 2 3","195","","","","- C252 H264 Mn32 P4 Se50 -","- C252 H264 Mn32 P4 Se50 -","- C252 H264 Mn32 P4 Se50 -","1","0.0833333","","Eichhöfer, Andreas; Wood, Paul T; Viswanath, Raghavan N; Mole, Richard A","Synthesis, structure and physical properties of the manganese(ii) selenide/selenolate cluster complexes [Mn(32)Se(14)(SePh)(36)(PnPr(3))(4)] and [Na(benzene-15-crown-5)(C(4)H(8)O)(2)](2)[Mn(8)Se(SePh)(16)].","Chemical communications (Cambridge, England)","2008","","13","1596","1598","10.1039/b714582a","","","0.8","","","0.0621","0.0524","","","0.1327","0.1392","","","","","","0.931","","","","has coordinates","180131","2020-10-21","18:00:00",""
"7131074","24.8853","0.0002","24.8853","0.0002","24.8853","0.0002","90","","90","","90","","15410.9","0.2","99.99","0.1","99.99","0.1","","","","","","","","4","P 2 3","P 2 2 3","195","","","","- C85 H82 Cl2 N8 -","- C85 H82 Cl2 N8 -","- C510 H492 Cl12 N48 -","6","0.5","","Sun, Yu-Ling; Wang, Zhen; Ma, Hui; Zhang, Qing-Pu; Yang, Bin-Bin; Meng, Xianggao; Zhang, Yaohua; Zhang, Chun","Chiral emissive porous organic cages.","Chemical communications (Cambridge, England)","2023","59","3","302","305","10.1039/d2cc05283k","","","1.54184","CuKα","","0.0817","0.0617","","","0.179","0.1997","","","","","","1.011","","","","has coordinates,has disorder","283137","2023-05-05","00:41:29",""
"7131075","24.96801","0.00009","24.96801","0.00009","24.96801","0.00009","90","","90","","90","","15565.1","0.1","100","0.1","100","0.1","","","","","","","","4","P 2 3","P 2 2 3","195","","","","- C85 H82 Cl2 N8 -","- C85 H82 Cl2 N8 -","- C510 H492 Cl12 N48 -","6","0.5","","Sun, Yu-Ling; Wang, Zhen; Ma, Hui; Zhang, Qing-Pu; Yang, Bin-Bin; Meng, Xianggao; Zhang, Yaohua; Zhang, Chun","Chiral emissive porous organic cages.","Chemical communications (Cambridge, England)","2023","59","3","302","305","10.1039/d2cc05283k","","","1.54184","CuKα","","0.051","0.0475","","","0.1561","0.1608","","","","","","1.068","","","","has coordinates,has disorder","283137","2023-05-05","00:41:30",""
"7709805","22.901","0.003","22.901","0.003","22.901","0.003","90","","90","","90","","12011","3","223","2","223","2","","","","","","","","8","P 2 3","P 2 2 3","195","","","","- C168 H240 Cl2 Cu6 F30 N24 O20 Si17 -","- C156 H192 Cl2 Cu6 F30.0004 N24 O8 Si17 -","- C312 H384 Cl4 Cu12 F60.0008 N48 O16 Si34 -","2","0.166667","","Kim, Doheon; Gwak, Geonwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Structural properties of [Cu(II)3L6] cages: bridged polyatomic anion effects on unprecedented efficiency of heterogeneous catechol oxidation","Dalton Transactions","2022","","","","","10.1039/D2DT00500J","","","0.76","synchrotron","","0.1113","0.0752","","","0.2302","0.2581","","","","","","1.003","","","","has coordinates,has disorder","273906","2022-03-22","23:55:26",""
"7709807","22.8679","0.0004","22.8679","0.0004","22.8679","0.0004","90","","90","","90","","11958.6","0.4","173","2","173","2","","","","","","","","7","P 2 3","P 2 2 3","195","","","","- C28 H40 B0.33 Cu F6.33 N4 Si2.83 -","- C26 H32 B0.346667 Cu F6.05333 N4 Si2.83333 -","- C312 H384 B4.16 Cu12 F72.64 N48 Si34 -","12","1","","Kim, Doheon; Gwak, Geonwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Structural properties of [Cu(II)3L6] cages: bridged polyatomic anion effects on unprecedented efficiency of heterogeneous catechol oxidation","Dalton Transactions","2022","","","","","10.1039/D2DT00500J","","","0.71073","MoKα","","0.136","0.0778","","","0.2069","0.2675","","","","","","1.094","","","","has coordinates,has disorder","273906","2022-03-22","23:55:27",""
"9005322","9.001","","9.001","","9.001","","90","","90","","90","","729.243","","","","","","","","","","","","","5","P 2 3","P 2 2 3","195","","","Nosean","- C Al6 Na8 O27 Si6 -","- C Al6 Na8 O27.0001 Si6 -","- C Al6 Na8 O27.0001 Si6 -","1","0.0833333","","Gesing, T. M.; Buhl, J.-C.","Crystal structure of a carbonate-nosean Na8[AlSiO4]6CO3","European Journal of Mineralogy","1998","10","","71","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9012653","9.077","","9.077","","9.077","","90","","90","","90","","747.872","","","","","","","","","","","","Malo-Bystrinskoe deposit, Lake Baikal region, Russia","7","P 2 3","P 2 2 3","195","","","Lazurite","- Al3 Ca0.828 Cl0.048 Na3.172 O13.76 S1.022 Si3 -","- Al3 Ca0.828 Cl0.048 Na3.172 O12 Os1.76 S1.022 Si3 -","- Al6 Ca1.656 Cl0.096 Na6.344 O24 Os3.52 S2.044 Si6 -","2","0.166667","","Rastsvetaeva, R. K.; Bolotina, N. B.; Sapozhnikov, A. N.; Kashaev, A. A.; Schoenleber, A.; Chapuis, G.","Average structure of cubic lazurite with a three-dimensional incommensurate modulation","Crystallography Reports","2002","47","","404","407","10.1134/1.1481924","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""