# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-24T15:29:14+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'A b m 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
"1521862","5.446","","5.446","","9.866","","90","","90","","90","","292.615","","","","","","","","","","","","","4","A b m 2","A 2 -2b","39","","(Ga (N H3)) F3","","- F3 Ga H3 N -","- F3 Ga H3 N -","- F12 Ga4 H12 N4 -","4","","","Roos, M.; Meyer, G.","Zwei Galliumfluorid-Ammoniakate: Ga (N H3) F3 und Ga (N H3)2 F3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1129","1134","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522600","33.326","","12.499","","8.869","","90","","90","","90","","3694.31","","","","","","","","","","","","","2","A b m 2","A 2 -2b","39","","","","- Ni Zn3 -","- Ni0.927536 Zn3.07246 -","- Ni64 Zn212 -","69","","","Nover, G.; Schubert, K.","The crystal structure of Ni Zn3.r","Journal of the Less-Common Metals","1980","75","","51","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530969","7.4717","","17.2176","","5.5975","","90","","90","","90","","720.089","","","","","","","","","","","","","2","A b m 2","A 2 -2b","39","","Ta3 S1.8","","- S1.8 Ta3 -","- S1.8 Ta3 -","- S14.4 Ta24 -","8","","","Wada, H.; Onoda, M.","On the Preparation and Structure of the Compound Ta3 S1.8","Materials Research Bulletin","1989","24","","191","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","156211","2020-10-21","18:00:00",""
"1539949","6.0042","","7.8254","","12.3491","","90","","90","","90","","580.226","","","","","","","","","","","","","4","A b m 2","A 2 -2b","39","","Ca Cl2 (N H3)2","","- Ca Cl2 H6 N2 -","- Ca Cl2 H6 N2 -","- Ca4 Cl8 H24 N8 -","4","","","Westman, S.; Werner, P.E.; Schuler, T.; Raldow, W.","X-Ray Investigations of Ammines of Alkaline Earth Metal Halides. P. The Structures of Ca Cl2 (N H3)8, Ca Cl2 (N H3)2 and the Decomposition Product Ca Cl O H","Acta Chemica Scandinavica, Series A: (28,1974-)","1981","35","","467","472","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"2004184","7.5018","0.001","17.358","0.004","5.6204","0.0004","90","","90","","90","","731.9","0.2","293","2","293","2","","","","","","","","3","A b m 2","A 2 -2b","39","","","","- S1.68 Se0.32 Ta3 -","- S1.673 Se0.327 Ta3 -","- S13.384 Se2.616 Ta24 -","8","","SE1065","Degen, T.; Harbrecht, B.","Ta~3~S~2{-~<i>x</i>}Se~<i>x~</i>, Partial Substitution of Selenium for Sulfur into a Tantalum-Rich Sulfide","Acta Crystallographica Section C","1995","51","11","2218","2220","10.1107/S0108270194009923","","","0.7093","MoKα","","0.0439","0.0222","","0.0425","0.0397","","","","0.916","0.97","0.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2310718","21.46999","","21.46999","","21.46999","","90","","90","","90","","9896.82","","","","","","","","","","","","","2","A b m 2","A 2 -2b","39","","","","- Fe0.856 O -","- Fe0.856 O -","- Fe428 O500 -","500","","","Andersson, B.; Sleines, J.O.","Decomposition and ordering in Fe(1-x) O","Acta Crystallographica A (24,1968-38,1982)","1977","33","","268","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4030261","5.403","0.001","27.698","0.008","5.54","0.001","90","","90","","90","","829.1","0.3","","","293","","","","","","","","","3","A b m 2","A 2 -2b","39","","","","- F7 O4 Y5 -","- F6.996 O4.004 Y5 -","- F27.984 O16.016 Y20 -","4","","","Bevan, D. J. M.; Mohyla, J.; Hoskins, B. F.; Steen, R. J.","The crystal structures of some Vernier phases in the yttrium oxide-fluoride system","European Journal of Solid State and Inorganic Chemistry","1990","27","","451","465","","","x-ray","1.542","CuKα","","","0.061","","","0.047","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030263","5.423","0.001","38.624","0.006","5.527","0.001","90","","90","","90","","1157.7","0.3","","","293","","","","","","","","","3","A b m 2","A 2 -2b","39","","","","- F9 O6 Y7 -","- F9 O6 Y7 -","- F36 O24 Y28 -","4","","","Bevan, D. J. M.; Mohyla, J.; Hoskins, B. F.; Steen, R. J.","The crystal structures of some Vernier phases in the yttrium oxide-fluoride system","European Journal of Solid State and Inorganic Chemistry","1990","27","","451","465","","","x-ray","1.542","CuKα","","","0.054","","","0.048","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030264","5.413","0.001","93.917","0.006","5.529","0.001","90","","90","","90","","2810.8","0.7","","","293","","","","","","","","","3","A b m 2","A 2 -2b","39","","","","- F23 O14 Y17 -","- F23.014 O13.986 Y17 -","- F92.056 O55.944 Y68 -","4","","","Bevan, D. J. M.; Mohyla, J.; Hoskins, B. F.; Steen, R. J.","The crystal structures of some Vernier phases in the yttrium oxide-fluoride system","European Journal of Solid State and Inorganic Chemistry","1990","27","","451","465","","","x-ray","1.542","CuKα","","","0.101","","","0.116","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077459","17.677","0.004","13.518","0.003","12.95","0.003","90","","90","","90","","3094.5","1.2","200","1","200","1","","","","","","","","6","A b m 2","A 2 -2b","39","","","","- C23 H21 Bi3 Fe O10 W2 -","- C24 H21 Bi3 Fe O10 W2 -","- C96 H84 Bi12 Fe4 O40 W8 -","4","","","Gröer, Thomas; Scheer, Manfred","Transition-Metal-Substituted Dichlorobismuthanes as Starting Materials for Novel Bismuth−Transition-Metal Clusters†","Organometallics","2000","19","18","3683","","10.1021/om000372g","","","0.71073","MoKα","","0.1326","0.1171","","","0.2646","0.2726","","","","","","1.325","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4111564","23.443","0.002","25.146","0.003","13.2883","0.0013","90","","90","","90","","7833.4","1.4","100","2","100","2","","","","","","","","7","A b m 2","A 2 -2b","39","","","","- C54 H93 B36 Cl4 Co2 Fe N7 -","- C54 H93 B36 Cl4 Co2 Fe N7 -","- C216 H372 B144 Cl16 Co8 Fe4 N28 -","4","","","Julien Bachmann; Daniel G. Nocera","Multielectron Redox Chemistry of Iron Porphyrinogens","Journal of the American Chemical Society","2005","127","","4730","4743","10.1021/ja043132r","","","0.71073","MoKα","","0.0556","0.0533","","","0.1385","0.1411","","","","","","1.112","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4319514","11.5727","0.001","16.458","0.002","5.5245","0.0005","90","","90","","90","","1052.22","0.18","293","0.2","293","0.2","","","","","","","","3","A b m 2","A 2 -2b","39","","","","- Bi2 O5 Te -","- Bi2 O5 Te -","- Bi16 O40 Te8 -","8","","","Kang Min Ok; N. S. P. Bhuvanesh; P. Shiv Halasyamani","Bi2TeO5: Synthesis, Structure, and Powder Second Harmonic Generation Properties","Inorganic Chemistry","2001","40","","1978","1980","10.1021/ic001224l","","","0.71073","MoKα","","0.0513","0.0481","","0.1436","0.1411","","","","1.038","1.059","1.059","","","","","has coordinates","179275","2020-10-21","18:00:00",""
"4332401","12.318","0.007","22.84","0.013","14.759","0.008","90","","90","","90","","4152","4","293","2","293","2","","","","","","","","6","A b m 2","A 2 -2b","39","Li(C23H16N4)2ClO4(CH3CN)","Lithium-di(pyrenylbisimidzolylmethan)perchlorate","","- C48 H35 Cl Li N9 O4 -","- C48 H35 Cl Li N9 O4 -","- C192 H140 Cl4 Li4 N36 O16 -","4","","","Hwang, In-Chul; Chandran, R. Prakash; Singh, N. Jiten; Khandelwal, Manish; Thangadurai, T. Daniel; Lee, Jung-Woo; Chang, Jeong Ah; Kim, Kwang S.","Organic−Inorganic Hybrid Compounds of Li with Bisimidazole Derivatives: Li Ion Binding Study and Topochemical Properties","Inorganic Chemistry","2006","45","20","8062","8069","10.1021/ic060323h","","","0.71073","MoKα","","0.0996","0.06","","","0.1619","0.1765","","","","","","0.911","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4337088","10.4036","0.0004","7.5904","0.0003","7.8341","0.0003","90","","90","","90","","618.64","0.04","298","0.2","298","0.2","","","","","","","","4","A b m 2","A 2 -2b","39","","","","- O8 Se2 V Y -","- O8 Se2 V Y -","- O32 Se8 V4 Y4 -","4","","","Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min","Noncentrosymmetric YVSe2O8 and Centrosymmetric YVTe2O8: Macroscopic Centricities Influenced by the Size of Lone Pair Cation Linkers.","Inorganic chemistry","2014","53","2","1250","1256","10.1021/ic402929m","","","0.71073","MoKα","","0.0505","0.0463","","","0.1126","0.1145","","","","","","1.071","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4344349","7.4783","","17.222","","5.6051","","90","","90","","90","","721.888","","","","","","","","","","","","","2","A b m 2","A 2 -2b","39","","Ta3 S2","","- S2 Ta3 -","- S2 Ta3 -","- S16 Ta24 -","8","","","Kim, S.-J.; Nanjundaswamy, K.S.; Hughbanks, T.","Single-crystal structure of Ta3 S2. Structure and bonding in Ta6 Sn (n= 1, 3, 4, 5?). Pentagonal-antiprismatic chain compounds","Inorganic Chemistry","1991","30","","159","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","167350","2020-10-21","18:00:00",""
"7022658","11.3895","0.0005","15.5501","0.0007","11.2968","0.0005","90","","90","","90","","2000.75","0.15","296","2","296","2","","","","","","","","6","A b m 2","A 2 -2b","39","","","","- C2 H8 Hg3 N Sb3 Se8 -","- C2 H8 Hg3 N Sb3 Se8 -","- C8 H32 Hg12 N4 Sb12 Se32 -","4","","","Wang, Kai-Yao; Ye, Dong; Zhou, Liu-Jiang; Feng, Mei-Ling; Huang, Xiao-Ying","Novel mercury selenidoantimonates with structures ranging from one-dimensional ribbon to three-dimensional open-framework.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5454","5461","10.1039/c3dt32676d","","","0.71073","MoKα","","0.0766","0.0693","","","0.1705","0.1796","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111821","20.7761","0.0016","40.516","0.003","41.967","0.003","90","","90","","90","","35326","5","100","2","100","2","","","","","","","","6","A b m 2","A 2 -2b","39","","","","- C162 H132 Cl7 Fe4 N24 O34 -","- C162 H132 Cl7 Fe4 N24 O34 -","- C1296 H1056 Cl56 Fe32 N192 O272 -","8","","","Michael C. Young; Amber M. Johnson; Richard J. Hooley","Self-promoted post-synthetic modification of metal-ligand M2L3 mesocates","Chem.Commun.","2014","50","","1378","","10.1039/c3cc48444k","","","0.71073","MoKα","","0.0777","0.0579","","","0.1338","0.1427","","","","","","1.001","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7201809","12.2182","0.0004","20.479","0.0005","8.5939","0.0002","90","","90","","90","","2150.34","0.1","193","2","193","2","","","","","","","","5","A b m 2","A 2 -2b","39","","","","- C20 H15 Cl2 I3 O -","- C20 H15 Cl2 I3 O -","- C80 H60 Cl8 I12 O4 -","4","","","Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.","OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols","CrystEngComm","2008","10","6","715","","10.1039/b716442d","","","0.71069","MoKα","","0.0282","0.0273","","","0.0751","0.0756","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215758","21.7368","0.0015","7.2102","0.0006","15.5904","0.0015","90","","90","","90","","2443.4","0.4","173","2","173","2","","","","","","","","4","A b m 2","A 2 -2b","39","","","","- C9 H17 N5 O2 -","- C9 H17 N5 O2 -","- C72 H136 N40 O16 -","8","","","Jones, P. G.; Taouss, Christina","Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling","CrystEngComm","2014","","","","","10.1039/c4ce00560k","","","0.71073","MoKα","","0.0527","0.0397","","","0.0833","0.0889","","","","","","1.043","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7221182","6.212","","11.8162","","16.3071","","90","","90","","90","","1196.98","","","","","","","","","","","","","3","A b m 2","A 2 -2b","39","","(P Cl4) (V Cl5)","","- Cl9 P V -","- Cl9 P V -","- Cl36 P4 V4 -","4","","","Ziegler, M.L.; Weidenhammer, K.; Nuber, B.; Hoch, G.","Die Molekuel- und Kristallstruktur von Tetrachlorophosphonium-pentachlorovanadat(IV) (P Cl4) (V Cl5)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","18","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8100904","11.425","0.002","16.244","0.003","5.487","0.002","90","","90","","90","","1018.3","0.5","293","2","293","2","","","","","","","","3","A b m 2","A 2 -2b","39","","","","- Bi2 O5 Se -","- Bi2 O5 Se -","- Bi16 O40 Se8 -","8","","","Rademacher, O.; Göbel, H.; Ruck, M.; Oppermann, H.","Crystal structure of dibismuth selenium pentoxide, Bi~2~SeO~5~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","29","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""