# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T08:10:22+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 42/n b c :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
"1511682","11.412","","11.412","","16.4131","","90","","90","","90","","2137.54","","","","","","","","","","","","","3","P 42/n b c :2","-P 4ac 2b","133","","Li7.2 B7 Se15","","- B7 Li7.2 Se15 -","- B7 Li7.28 Se15 -","- B28 Li29.12 Se60 -","4","0.25","","Lindemann, A.; Doech, M.; Nilges, T.; Krebs, B.; Puetz, S.; Eckert, H.; Hammerschmidt, A.","Li7 B7 Se15: A novel selenoborate with a zeolite-like polymeric anion structure","Solid State Sciences","2006","8","","764","772","10.1016/j.solidstatesciences.2006.04.002","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1526113","26.818","","26.818","","13.365","","90","","90","","90","","9612.18","","","","","","","","","","","","","3","P 42/n b c :2","-P 4ac 2b","133","","(Si O2)46 (C O2)6 (C H4)2","","- C8 O92 Si46 -","- C8 O92 Si46 -","- C32 O368 Si184 -","4","0.25","","Nakagawa, T.; Kihara, K.; Harada, K.","The crystal structure of low melanophlogite","American Mineralogist","2001","86","","1506","1512","","","","","","","","","","","","","","","","","","","","","","has coordinates","147224","2020-10-21","18:00:00",""
"1528174","8.82","","8.82","","13.04","","90","","90","","90","","1014.41","","","","","","","","","","","","","3","P 42/n b c :2","-P 4ac 2b","133","","Mn Te2 O5","","- Mn O5 Te2 -","- Mn O5 Te2 -","- Mn8 O40 Te16 -","8","0.5","","Walitzi, E.M.","Die Kristallstruktur von Denningit, (Mn, Ca, Zn) Te2 O5. Ein Beispiel fuer die Koordination um vierwertiges Tellur","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1965","10","","241","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528970","8.82","","8.82","","13.04","","90","","90","","90","","1014.41","","","","","","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","Mn.56 Ca.30 Zn.12 Te2 O5","","- Ca0.3 Mn0.56 O5 Te2 Zn0.12 -","- Ca0.3 Mn0.56 O5 Te2 Zn0.12 -","- Ca2.4 Mn4.48 O40 Te16 Zn0.96 -","8","0.5","","Walitzi, E.M.","Die Kristallstruktur von Denningit, (Mn, Ca, Zn) Te2 O5","Naturwissenschaften","1964","51","","334","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","151855","2020-10-21","18:00:00",""
"1538473","10.1542","","10.1542","","5.0147","","90","","90","","90","","517.055","","","","","","","","","","","","","2","P 42/n b c :2","-P 4ac 2b","133","","Ta3 P","","- P Ta3 -","- P Ta3 -","- P8 Ta24 -","8","0.5","","Phavanantha, P.; Pontchour, C.-O.; Pramatus, S.; Andersson, Y.; Rundqvist, S.","The crystal structure of a beta-V3 S type modification of Ta P","Acta Chemica Scandinavica, Series A: (28,1974-)","1978","32","","515","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310441","9.02","","9.02","","13.685","","90","","90","","90","","1113.42","","","","","","","","","","","","","3","P 42/n b c :2","-P 4ac 2b","133","","Na Sn2 F5","","- F5 Na Sn2 -","- F5 Na Sn2 -","- F40 Na8 Sn16 -","8","0.5","","McDonald, R.R.; Larson, A.C.; Cromer, D.T.","The Crystal Structure of Sodium Pentafluorodistannate(II), Na Sn2 F5","Acta Crystallographica (1,1948-23,1967)","1964","17","","1104","1108","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4029155","13.0408","0.0018","13.0408","0.0018","13.176","0.003","90","","90","","90","","2240.7","0.7","173","2","173","2","","","","","","","","4","P 42/n b c :2","-P 4ac 2b","133","","","","- C20 H16 Cl4 N12 -","- C20 H16 Cl4 N12 -","- C80 H64 Cl16 N48 -","4","0.25","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.041","0.0408","","","0.0939","0.094","","","","","","1.323","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4316629","17.0437","0.0004","17.0437","0.0004","18.9961","0.0009","90","","90","","90","","5518.1","0.3","298","2","298","2","","","","","","","","6","P 42/n b c :2","-P 4ac 2b","133","","","","- C40 H62 Cl2 N12 Ni4 O16 -","- C40 H62 Cl2 N12 Ni4 O16 -","- C160 H248 Cl8 N48 Ni16 O64 -","4","0.25","","Anandalok Audhya; Manoranjan Maity; Kisholoy Bhattacharya; Rodolphe Clérac; Muktimoy Chaudhury","Tri- and Tetranuclear Nickel(II) Inverse Metallacrown Complexes Involving Oximato Oxygen Linkers: Role of the Guest Anion (Oxo versus Alkoxo) in Controlling the Size of the Ring Topology","Inorganic Chemistry","2010","49","","9026","9035","10.1021/ic101273y","","","0.71073","MoKα","","0.0635","0.0444","","","0.1407","0.1633","","","","","","0.953","","","","has coordinates","179246","2020-10-21","18:00:00",""
"4333153","20.5872","0.0009","20.5872","0.0009","26.0086","0.0017","90","","90","","90","","11023.3","1","293","2","293","2","","","","","","","","8","P 42/n b c :2","-P 4ac 2b","133","","","","- C27 H42 Fe2 Hg3 I6 O9 P2 Se2 -","- C27 H38 Fe2 Hg3 I6 O9 P2 Se2 -","- C216 H304 Fe16 Hg24 I48 O72 P16 Se16 -","8","0.5","","Liu, C. W.; Chen, Jem-Min; Santra, Bidyut Kumar; Wen, Sung-Yin; Liaw, Ben-Jie; Wang, Ju-Chun","Novel Metalloreagent Cp(CO)2FeP(Se)(OR)2Produced from P−Se Bond Cleavage in the Thermal Reaction of [CpFe(CO)2]2with Phosphor-1,1-diselenolates","Inorganic Chemistry","2006","45","22","8820","8822","10.1021/ic061538u","","","0.71073","MoKα","","0.0621","0.0264","","","0.0706","0.0743","","","","","","0.853","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4341953","8.9337","0.0002","8.9337","0.0002","13.4854","0.0003","90","","90","","90","","1076.28","0.04","298","2","298","2","","","","","","","","4","P 42/n b c :2","-P 4ac 2b","133","","","","- Na O10 Te4 Y -","- Na O10 Te4 Y -","- Na4 O40 Te16 Y4 -","4","0.25","","Kim, Youngkwon; Lee, Dong Woo; Ok, Kang Min","Rich Structural Chemistry in New Alkali Metal Yttrium Tellurites: Three-Dimensional Frameworks of NaYTe4O10, KY(TeO3)2, RbY(TeO3)2, and a Novel Variant of Hexagonal Tungsten Bronze, CsYTe3O8.","Inorganic chemistry","2015","54","1","389","395","10.1021/ic502724n","","","0.71073","MoKα","","0.0194","0.0146","","","0.0351","0.0359","","","","","","1.101","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4503850","11.4893","0.0016","11.4893","0.0016","12.845","0.003","90","","90","","90","","1695.6","0.5","298","2","298","2","","","","","","","","4","P 42/n b c :2","-P 4ac 2b","133","","","","- C10 H12 Gd2 O16 -","- C10 H12 Gd2 O16 -","- C40 H48 Gd8 O64 -","4","0.25","","Luo, Feng; Long, Gary J.; Che, Yun-xia; Zheng, Ji-min","Ln2(C2O4)(O2CCH2OH)4(Ln = Gd(III), Tb(III)): Unprecedented Interpenetrating 4,6-Connected Net Built on Unusual Rectangular and Distorted Hexagonal Lanthanide Nodes","Crystal Growth & Design","2008","8","10","3511","","10.1021/cg800640u","","x-ray","0.71073","MoKα","","0.0196","0.0159","","","0.0465","0.0483","","","","","","1.164","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503851","11.458","0.0016","11.458","0.0016","12.781","0.003","90","","90","","90","","1678","0.5","294","2","294","2","","","","","","","","4","P 42/n b c :2","-P 4ac 2b","133","","","","- C10 H8 O16 Tb2 -","- C10 H8 O16 Tb2 -","- C40 H32 O64 Tb8 -","4","0.25","","Luo, Feng; Long, Gary J.; Che, Yun-xia; Zheng, Ji-min","Ln2(C2O4)(O2CCH2OH)4(Ln = Gd(III), Tb(III)): Unprecedented Interpenetrating 4,6-Connected Net Built on Unusual Rectangular and Distorted Hexagonal Lanthanide Nodes","Crystal Growth & Design","2008","8","10","3511","","10.1021/cg800640u","","x-ray","0.71073","MoKα","","0.0999","0.0763","","","0.146","0.1569","","","","","","1.228","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4508886","19.0544","0.0011","19.0544","0.0011","31.639","0.004","90","","90","","90","","11487.2","1.7","100","2","100","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C40 H66 Cd4 N12 O25 -","- C40 H66 Cd4 N12 O25 -","- C320 H528 Cd32 N96 O200 -","8","0.5","","Cheng, Lin; Lin, Jian-Bin; Gong, Jun-Zhou; Sun, Ai-Ping; Ye, Bao-Hui; Chen, Xiao-Ming","Encapsulation of Water Cluster,meso-Helical Chain and Tapes in Metal−Organic Frameworks Based on Double-Stranded Cd(II) Helicates and Carboxylates","Crystal Growth & Design","2006","6","12","2739","","10.1021/cg060441f","","","0.71073","MoKα","","0.0767","0.057","","","0.1255","0.1361","","","","","","1.036","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508913","21.435","0.002","21.435","0.002","11.382","0.002","90","","90","","90","","5229.6","1.1","90","2","90","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C17.27 H20 Cu N3 O7.27 -","- C17.272 H20 Cu N3 O7.272 -","- C138.176 H160 Cu8 N24 O58.176 -","8","0.5","","Luisi, Brian S.; Kravtsov, Victor Ch.; Moulton, Brian D.","An (8,3)-a 3D Coordination Network and Concomitant Three-Connected Supramolecular Isomers","Crystal Growth & Design","2006","6","10","2207","","10.1021/cg060534x","","","0.71073","MoKα","","0.1289","0.0956","","","0.3207","0.3515","","","","","","1.475","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4516941","14.5736","0.0003","14.5736","0.0003","22.951","0.0013","90","","90","","90","","4874.6","0.3","293","","293","","","","","","","","","3","P 42/n b c :2","-P 4ac 2b","133","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C224 H224 N64 -","16","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","","0.71073","MoKα","","0.1171","0.0521","","","0.1077","0.1275","","","","","","0.95","","","","has coordinates,has disorder","239644","2020-10-21","18:00:00",""
"7004855","11.4228","0.0015","11.4228","0.0015","18.262","0.003","90","","90","","90","","2382.8","0.6","296","2","296","2","","","","","","","","6","P 42/n b c :2","-P 4ac 2b","133","trans-Dichlorobis(1,3- bis(dimethylphosphino)propane)cobalt(iii) Perchlorate","trans-Dichlorobis(1,3-bis(dimethylphosphino)propane)cobalt(III) Perchlorate","","- C14 H36 Cl3 Co O4 P4 -","- C14 H36 Cl3 Co O4 P4 -","- C56 H144 Cl12 Co4 O16 P16 -","4","0.25","","Suzuki, Takayoshi; Fujiiwara, Katsuhiro; Takagi, Hideo D.; Kashiwabara, Kazuo","Preparation and characterization of mixed-ligand cobalt(III) complexes containing (3-aminopropyl)dimethylphosphine (pdmp). Conformation of the six-membered pdmp chelate ring.","Dalton transactions (Cambridge, England : 2003)","2007","","3","308","319","10.1039/b612025c","","","0.71069","MoKα","","0.0656","0.0427","","","0.122","0.1354","","","","","","1.095","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7035136","18.198","0.0014","18.198","0.0014","28.872","0.005","90","","90","","90","","9561","2","293","2","293","2","","","","","","","","7","P 42/n b c :2","-P 4ac 2b","133","","","","- C76 H88 Br2 N24 O33 S2 Zn4 -","- C76 H54 Br2 N24 O33 S2 Zn4 -","- C304 H216 Br8 N96 O132 S8 Zn16 -","4","0.25","","Hua, Ji-Ai; Zhao, Yue; Kang, Yan-Shang; Lu, Yi; Sun, Wei-Yin","Solvent-dependent zinc(ii) coordination polymers with mixed ligands: selective sorption and fluorescence sensing.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11524","11532","10.1039/c5dt01386k","","","0.71073","MoKα","","0.0748","0.063","","","0.1904","0.204","","","","","","1.137","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7106246","16.9831","0.0005","16.9831","0.0005","12.7839","0.0006","90","","90","","90","","3687.2","0.2","120","2","120","2","","","","","","","","6","P 42/n b c :2","-P 4ac 2b","133","","","","- C0.5 H0.5 As0.95 Be1.05 N0.16 O4.78 -","- C0.5 H0.5 As0.9485 Be1.0515 N0.165 O4.78 -","- C16 H16 As30.352 Be33.648 N5.28 O152.96 -","32","2","","Littlefield, Benjamin T. R.; Welle, Mark T.","Berylloarsenates ‒ new frameworks, building units and an unusual zeotype","Chemical Communications (Cambridge, United Kingdom)","2011","47","","4769","4771","10.1039/c1cc00118c","","","0.71073","MoKα","","0.1499","0.0804","","","0.1798","0.2226","","","","","","1.099","","","","has coordinates","210837","2020-10-21","18:00:00",""
"7125415","13.38177","0.00008","13.38177","0.00008","21.7501","0.00018","90","","90","","90","","3894.83","0.05","150","0.1","150","","","","","","","","","4","P 42/n b c :2","-P 4ac 2b","133","","","","- C33 H36 N8 O15 -","- C33 H36 N8 O15 -","- C132 H144 N32 O60 -","4","0.25","","Cullen, Duncan A.; Gardiner, Michael G.; White, Nicholas G.","A three dimensional hydrogen bonded organic framework assembled through antielectrostatic hydrogen bonds.","Chemical communications (Cambridge, England)","2019","55","80","12020","12023","10.1039/c9cc06707h","","x-ray","1.54184","CuKα","","0.0845","0.081","","","0.2398","0.2466","","","","","","1.079","","","","has coordinates,has disorder","237861","2020-10-21","18:00:00",""
"7206954","16.3292","0.0004","16.3292","0.0004","19.9708","0.0006","90","","90","","90","","5325.1","0.2","293","2","293","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C64 H40 Cd3 N16 O8 -","- C64 H40 Cd3 N16 O8 -","- C256 H160 Cd12 N64 O32 -","4","0.25","","Yong, Guo-Ping; Li, Ying-Zhou; Zhang, Yi-Man; She, Wen-Long","Magnetic and luminescent properties of Cd(ii)- and Fe(ii)-anion radical frameworks: various networks or structures influenced by metal ion sizes or in situ forming mechanisms of anion radical ligand","CrystEngComm","2012","14","4","1439","","10.1039/c1ce05641g","","","0.71073","MoKα","","0.1186","0.0346","","","0.0276","0.0308","","","","","","0.887","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206955","16.172","0.005","16.172","0.005","19.553","0.005","90","0.005","90","0.005","90","0.005","5114","3","150","2","150","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C64 H40 Fe3 N16 O8 -","- C64 H40 Fe3 N16 O8 -","- C256 H160 Fe12 N64 O32 -","4","0.25","","Yong, Guo-Ping; Li, Ying-Zhou; Zhang, Yi-Man; She, Wen-Long","Magnetic and luminescent properties of Cd(ii)- and Fe(ii)-anion radical frameworks: various networks or structures influenced by metal ion sizes or in situ forming mechanisms of anion radical ligand","CrystEngComm","2012","14","4","1439","","10.1039/c1ce05641g","","","0.71073","MoKα","","0.1152","0.0539","","","0.1418","0.1598","","","","","","0.807","","","","has coordinates","180400","2020-10-21","18:00:00",""
"9009835","8.761","","8.761","","12.99","","90","","90","","90","","997.049","","","","","","","","","","","","Synthetic","3","P 42/n b c :2","-P 4ac 2b","133","","","Denningite","- Mn O5 Te2 -","- Mn O5 Te2 -","- Mn8 O40 Te16 -","8","0.5","","Miletich, R.","Copper-substituted manganese-denningites, Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry Sample: x = 0.0","Mineralogy and Petrology","1993","48","","129","145","10.1007/BF01163092","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009836","8.747","","8.747","","12.902","","90","","90","","90","","987.132","","","","","","","","","","","","Synthetic","4","P 42/n b c :2","-P 4ac 2b","133","","","Denningite","- Cu0.33 Mn1.67 O10 Te4 -","- Cu0.33 Mn1.67 O10 Te4 -","- Cu1.32 Mn6.68 O40 Te16 -","4","0.25","","Miletich, R.","Copper-substituted manganese-denningites, Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry Sample: x = 0.33","Mineralogy and Petrology","1993","48","","129","145","10.1007/BF01163092","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009837","8.741","","8.741","","12.8684","","90","","90","","90","","983.211","","","","","","","","","","","","Synthetic","4","P 42/n b c :2","-P 4ac 2b","133","","","Denningite","- Cu0.48 Mn1.52 O10 Te4 -","- Cu0.48 Mn1.52 O10 Te4 -","- Cu1.92 Mn6.08 O40 Te16 -","4","0.25","","Miletich, R.","Copper-substituted manganese-denningites, Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry Sample: x = 0.48","Mineralogy and Petrology","1993","48","","129","145","10.1007/BF01163092","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009838","8.729","","8.729","","12.82","","90","","90","","90","","976.826","","","","","","","","","","","","Synthetic","4","P 42/n b c :2","-P 4ac 2b","133","","","Denningite","- Cu0.8 Mn1.2 O10 Te4 -","- Cu0.8 Mn1.2 O10 Te4 -","- Cu3.2 Mn4.8 O40 Te16 -","4","0.25","","Miletich, R.","Copper-substituted manganese-denningites, Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry Sample: x = 0.80","Mineralogy and Petrology","1993","48","","129","145","10.1007/BF01163092","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009839","8.723","","8.723","","12.777","","90","","90","","90","","972.211","","","","","","","","","","","","Synthetic","4","P 42/n b c :2","-P 4ac 2b","133","","","Denningite","- Cu0.99 Mn1.01 O10 Te4 -","- Cu0.99 Mn1.01 O10 Te4 -","- Cu3.96 Mn4.04 O40 Te16 -","4","0.25","","Miletich, R.","Copper-substituted manganese-denningites, Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry Sample: x = 0.99","Mineralogy and Petrology","1993","48","","129","145","10.1007/BF01163092","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9012421","8.82","","8.82","","13.04","","90","","90","","90","","1014.41","","","","","","","","","","","","","6","P 42/n b c :2","-P 4ac 2b","133","","","Denningite","- Ca0.3 Mg0.02 Mn0.56 O5 Te2 Zn0.12 -","- Ca0.3 Mg0.02 Mn0.56 O5 Te2 Zn0.12 -","- Ca2.4 Mg0.16 Mn4.48 O40 Te16 Zn0.96 -","8","0.5","","Walitzi, E. M.","Die kristallstruktur von denningit, (Mn,Ca,Zn)Te2O5","Naturwissenschaften","1964","51","","334","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""