# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-04T05:26:30+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P n a a' 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
"1534345","5.194","","8.17","","24.165","","90","","90","","90","","1025.44","","","","","","","","","","","","","3","P n a a","-P 2ac 2bc","56","","Li2 Te2 O5","","- Li2 O5 Te2 -","- Li2 O5 Te2 -","- Li16 O40 Te16 -","8","1","","Cachau-Herreillat, D.; Maurin, M.; Norbert, A.; Philippot, E.","Etude cristallochimique comparee et conductivite ionique des deux varietes Li2 Te2 O5 alpha et beta","Journal of Solid State Chemistry","1981","37","","352","361","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1545897","9.109","0.001","11.021","0.001","11.987","0.001","90","","90","","90","","1203.4","0.2","","","293","","","","","","","","","6","P n a a","-P 2ac 2bc","56","","","","- C4 H15 Ga N2 O8 P2 -","- C4 H15 Ga N2 O8 P2 -","- C16 H60 Ga4 N8 O32 P8 -","4","0.5","","Ann M. Chippindale; Andrew D. Bond; Ashley D. Law; Andrew R. Cowley","Synthesis and Characterization of [NH3(CH2)4NH3][Ga(PO4)(PO3OH)], a One-Dimensional Gallophosphate","Journal of Solid State Chemistry","1998","136","","227","232","10.1006/jssc.1997.7685","","x-ray","1.5418","CuKα","","","0.0284","","","0.0354","","","","","","","","","","","has coordinates","195846","2020-10-21","18:00:00",""
"2007507","7.654","0.001","11.282","0.002","29.404","0.004","90","","90","","90","","2539.1","0.7","293","2","293","2","","","","","","","","5","P n a a","-P 2ac 2bc","56","","","","- C14 H12 N2 O2 S -","- C14 H12 N2 O2 S -","- C112 H96 N16 O16 S8 -","8","1","CF1230","Hdii, Fatiha; Reboul, Jean-Pierre; Barbe, Jacques; Siri, Didier; Pèpe, Gérard","10-Ethyl-3-nitrophenothiazine","Acta Crystallographica Section C","1998","54","8","1151","1152","10.1107/S0108270198002522","","","0.71073","MoKα","","0.041","0.039","","0.082","0.081","","","","0.992","1.181","1.181","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2101423","9.8589","0.0007","15.28","0.0017","19.1399","0.0017","90","","90","","90","","2883.3","0.5","294","1","294","1","","","","","","","","4","P n a a","-P 2ac 2bc","56","1-Ferrocenyl-2-phenylethanol","1-Ferrocenyl-2-phenylethanol","","- C18 H18 Fe O -","- C18 H18 Fe O -","- C144 H144 Fe8 O8 -","8","1","AB0340","Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.","Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol","Acta Crystallographica Section B","1996","52","1","110","121","10.1107/S0108768195007531","","","0.7107","MolybdenumKα","","0.106","0.036","","0.061","0.047","","","","","1.15","1.15","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106481","9.703","","10.667","","6.362","","90","","90","","90","","658.479","","","","","","","","","","","","","3","P n a a","-P 2ac 2bc","56","","Mn (P3 O9)","","- Mn O9 P3 -","- Mn O9 P3 -","- Mn4 O36 P12 -","4","0.5","","Bagieu-Beucher, M.","Structure cristalline du polyphosphate de manganese trivalent Mn (P O3)3","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1443","1446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2203740","6.8548","0.0014","12.042","0.002","22.762","0.005","90","","90","","90","","1878.9","0.6","293","2","293","2","","","","","","","","5","P n a a","-P 2ac 2bc","56","","3-(4-Chlorophenyl)-5-methyl-3H-1,3,4-oxadiazole-2-one","","- C9 H7 Cl N2 O2 -","- C9 H7 Cl N2 O2 -","- C72 H56 Cl8 N16 O16 -","8","1","CV6311","Thamotharan, S.; Parthasarathi, V.; Kalaivani, P.; Mallur, Shanta G.; Badami, Bharati; Schenk, Kurt J.","3-(4-Chlorophenyl)-5-methyl-3<i>H</i>-1,3,4-oxadiazol-2-one","Acta Crystallographica Section E","2004","60","6","o964","o965","10.1107/S1600536804010967","","","0.71073","MoKα","","0.0639","0.0583","","","0.1638","0.1676","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2224991","16.9478","0.0007","19.3282","0.0008","6.6572","0.0003","90","","90","","90","","2180.7","0.16","293","2","293","2","","","","","","","","5","P n a a","-P 2ac 2bc","56","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(<i>N</i>-ethyl-<i>N</i>- methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')zinc(II)","","- C18 H24 N4 S4 Zn -","- C18 H24 N4 S4 Zn -","- C72 H96 N16 S16 Zn4 -","4","0.5","HB5313","Abdul Ghafar, Noorul Aisyah; Baba, Ibrahim; Yamin, Bohari M.; Ng, Seik Weng","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(<i>N</i>-ethyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')zinc(II)","Acta Crystallographica Section E","2010","66","2","m208","","10.1107/S1600536810002606","","","0.71073","MoKα","","0.0338","0.0304","","","0.0882","0.0907","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"4020403","8.4023","0.0002","16.1062","0.0004","17.4221","0.0006","90","","90","","90","","2357.72","0.11","150","","150","","","","","","","","","3","P n a a","-P 2ac 2bc","56","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C112 H128 O16 -","8","1","","Jeremy Robertson; Petra M. Stafford; Stephen J. Bell","Silatropic Carbonyl Ene Cyclizations in the Synthesis of Pseudosugars and Hydroxylated Piperidines","Journal of Organic Chemistry","2005","70","","7133","7148","10.1021/jo050644v","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4035339","9.904","0.002","22.127","0.007","9.113","0.002","90","","90","","90","","1997.1","0.9","153","2","153","2","","","","","","","","4","P n a a","-P 2ac 2bc","56","","","","- C10 H16 F2 O2 -","- C10 H16 F2 O2 -","- C80 H128 F16 O16 -","8","1","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71073","MoKα","","0.1202","0.0854","","","0.2166","0.2508","","","","","","1.059","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4064577","18.454","0.005","24.536","0.007","36.207","0.003","90","","90","","90","","16394","7","200","2","200","2","","","","","","","","9","P n a a","-P 2ac 2bc","56","","","","- C75 H64 B2 Cl6 F8 Fe8 O8 P2 Pd -","- C75 H64 B2 Cl6 F8 Fe8 O8 P2 Pd -","- C600 H512 B16 Cl48 F64 Fe64 O64 P16 Pd8 -","8","1","","Dai, Huei-Fang; Yeh, Wen-Yann","Tetrairon Cluster Cp3Fe4(CO)4(C5H4PPh2) as a P‒O Chelating Agent to Bind Palladium(II) and Copper(I) Ions through Phosphine and μ3-Carbonyl Groups","Organometallics","2011","30","15","3992","","10.1021/om200185z","","","0.7107","MoKα","","0.1898","0.1047","","","0.2512","0.2878","","","","","","1.057","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4084510","7.227","0.001","24.325","0.002","24.449","0.002","90","","90","","90","","4298.1","0.8","90","2","90","2","","","","","","","","6","P n a a","-P 2ac 2bc","56","","","","- C24 H25 Cl Co N3 O2 -","- C24 H25 Cl Co N3 O2 -","- C192 H200 Cl8 Co8 N24 O16 -","8","1","","Siega, Patrizia; Dreos, Renata; Brancatelli, Giovanna; Demitri, Nicola; Geremia, Silvano","Formation and Structure of a Cobalt(III) Complex Containing a Nonstabilized Pyridinium Ylide Ligand","Organometallics","2014","33","21","6076","","10.1021/om5007374","","","0.77491","","","0.077","0.0756","","","0.1895","0.1919","","","","","","1.064","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4106387","6.926","0.0002","20.9628","0.001","24.1363","0.0008","90","","90","","90","","3504.3","0.2","150","2","150","2","","","","","","","synthesis as described","3","P n a a","-P 2ac 2bc","56","","","","- C23 H23 N -","- C23 H23 N -","- C184 H184 N8 -","8","1","","Basker Sundararaju; Mathieu Achard; Gangavaram V. M. Sharma; Christian Bruneau","sp3 C-H Bond Activation with Ruthenium(II) Catalysts and C(3)-Alkylation of Cyclic Amines","Journal of the American Chemical Society","2011","133","","10340","10343","10.1021/ja203875d","","x-ray","0.71073","MoKα","","0.0609","0.0415","","","0.095","0.1055","","","","","","1.043","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4111813","8.759","0.0012","15.009","0.002","42.798","0.006","90","","90","","90","","5626.4","1.3","223","2","223","2","","","","","","","","4","P n a a","-P 2ac 2bc","56","","","","- C30 H36 O2 S2 -","- C30 H36 O2 S2 -","- C240 H288 O16 S16 -","8","1","","Fuke Wang; Ming-Yong Han; Khine Yi Mya; Yubo Wang; Yee-Hing Lai","Aggregation-Driven Growth of Size-Tunable Organic Nanoparticles Using Electronically Altered Conjugated Polymers","Journal of the American Chemical Society","2005","127","","10350","10355","10.1021/ja0521730","","","0.71073","MoKα","","0.1008","0.0836","","","0.1995","0.2071","","","","","","1.129","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4121108","11.3342","0.0003","15.5145","0.0003","30.5847","0.0008","90","","90","","90","","5378.1","0.2","120","2","120","2","","","","","","","","6","P n a a","-P 2ac 2bc","56","","","","- C25 H42 N O2 P2 Re -","- C25 H42 N O2 P2 Re -","- C200 H336 N8 O16 P16 Re8 -","8","1","","Matthias Vogt; Alexander Nerush; Mark A. Iron; Gregory Leitus; Yael Diskin-Posner; Linda J. W. Shimon; Yehoshoa Ben-David; David Milstein","Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design","Journal of the American Chemical Society","2013","135","","17004","17018","10.1021/ja4071859","","","0.71073","MoKα","","0.0793","0.0587","","","0.1404","0.1506","","","","","","1.065","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4125889","18.5677","0.0002","31.2061","0.0008","26.9907","0.0003","90","","90","","90","","15639.1","0.5","120","","120","","","","","","","","","4","P n a a","-P 2ac 2bc","56","","","","- C144 H162 Au25 S18 -","- C144 H162 Au25 S18 -","- C576 H648 Au100 S72 -","4","0.5","","Antonello, Sabrina; Dainese, Tiziano; Pan, Fangfang; Rissanen, Kari; Maran, Flavio","Electrocrystallization of Monolayer-Protected Gold Clusters: Opening the Door to Quality, Quantity, and New Structures.","Journal of the American Chemical Society","2017","139","11","4168","4174","10.1021/jacs.7b00568","","x-ray","0.71073","MoKα","","0.0777","0.0678","","","0.1293","0.1333","","","","","","1.3","","","","has coordinates,has disorder","194744","2020-10-21","18:00:00",""
"4302200","20.42","0.01","14.89","0.01","24.38","0.02","90","","90","","90","","7413","9","298","","298","","","","","","","","","6","P n a a","-P 2ac 2bc","56","","","","- C56 H82 Cl2 Cu7 N6 O34 -","- C56 H58 Cl2 Cu7 N6 O34 -","- C224 H232 Cl8 Cu28 N24 O136 -","4","0.5","","Theocharis C. Stamatatos; Gina C. Vlahopoulou; Catherine P. Raptopoulou; Aris Terzis; Albert Escuer; Spyros P. Perlepes","Interpretation of the Magnetic Properties of a Compound Consisting of Cocrystallized CuII3 and CuII4 Clusters through the Targeted Synthesis and Study of Its Discrete CuII4 Component","Inorganic Chemistry","2009","48","","4610","4612","10.1021/ic900188k","","","0.71073","MoKα","","0.0903","0.0604","","","0.1542","0.1768","","","","","","1.028","","","","has coordinates","179060","2020-10-21","18:00:00",""
"4305586","12.288","0.0004","19.1695","0.0006","25.6802","0.0009","90","","90","","90","","6049.1","0.3","100","2","100","2","","","","","","","","6","P n a a","-P 2ac 2bc","56","","","","- C34 H70 N6 Na4 O41.26 V4 -","- C34 H52 N6 Na4 O41.176 V4 -","- C136 H208 N24 Na16 O164.704 V16 -","4","0.5","","Chryssoula Drouza; Anastasios D. Keramidas","Solid State and Aqueous Solution Characterization of Rectangular Tetranuclear VIV/V-p-Semiquinonate/Hydroquinonate Complexes Exhibiting a Proton Induced Electron Transfer","Inorganic Chemistry","2008","47","","7211","7224","10.1021/ic800569t","","","0.71073","MoKα","","0.0752","0.0513","","","0.1516","0.16","","","","","","1.038","","","","has coordinates","289031","2024-01-11","08:36:03",""
"4305705","12.5149","0.0002","19.5368","0.0003","36.8169","0.0007","90","","90","","90","","9001.8","0.3","128","1","128","1","","","","","","","","5","P n a a","-P 2ac 2bc","56","ad172","","","- C58 H36 N2 Pb Pt2 -","- C58 H36 N2 Pb Pt2 -","- C464 H288 N16 Pb8 Pt16 -","8","1","","Jesús Rubén Berenguer; Alvaro Díez; Julio Fernández; Juan Forniés; Ana García; Belén Gil; Elena Lalinde; M. Teresa Moreno","[Pt]2Pb Trinuclear Systems: Impact of the Anionic Platinum Fragment on the Lead Environment and Photoluminescence","Inorganic Chemistry","2008","47","","7703","7716","10.1021/ic8006876","","","0.71073","MoKα","","0.114","0.0582","","","0.0877","0.102","","","","","","1.026","","","","has coordinates,has disorder","179095","2020-10-21","18:00:00",""
"4331244","5.926","0.003","7.516","0.007","37.051","0.016","90","","90","","90","","1650.2","1.9","293","2","293","2","","","","","","","","4","P n a a","-P 2ac 2bc","56","","","","- C18 H12 I2 N2 -","- C18 H12 I2 N2 -","- C72 H48 I8 N8 -","4","0.5","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","0.71073","MoKα","","0.1826","0.0834","","","0.2195","0.266","","","","","","0.979","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4332779","14.873","0.0001","16.728","0.0002","24.561","0.0003","90","","90","","90","","6110.67","0.11","173","1","173","1","","","","","","","","5","P n a a","-P 2ac 2bc","56","Complex 1n","","","- C144 H112 Ag8 O16 Pt4 -","- C144 H112 Ag8 O16 Pt4 -","- C288 H224 Ag16 O32 Pt8 -","2","0.25","","Gil, Belén; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa","Influence of Solvent and Weak C−H···O Contacts in the Self-Assembled [Pt2M4{C⋮C(3-OMe)C6H4}8] (M = Cu, Ag) Clusters and Their Role in the Luminescence Behavior","Inorganic Chemistry","2006","45","19","7788","7798","10.1021/ic0608344","","","0.71073","MoKα","","0.0947","0.071","","","0.1544","0.1638","","","","","","1.097","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4333675","12.3485","0.0005","13.4518","0.0011","19.6002","0.0015","90","","90","","90","","3255.8","0.4","293","2","293","2","","","","","","","","7","P n a a","-P 2ac 2bc","56","","","","- C22 H14 B4 F13 N2 O2 S8 -","- C22 H14 B4 F13 N2 O2 S8 -","- C88 H56 B16 F52 N8 O8 S32 -","4","0.5","","Fabrice Pointillart; Boris Le Guennic; Olivier Maury; Stéphane Golhen; Olivier Cador; Lahcène Ouahab","Lanthanide Dinuclear Complexes Involving Tetrathiafulvalene-3-pyridine-N-oxide Ligand: Semiconductor Radical Salt, Magnetic, and Photophysical Studies","Inorganic Chemistry","2013","52","","1398","1408","10.1021/ic302095h","","","0.71073","MoKα","","0.1055","0.0628","","","0.1655","0.193","","","","","","1.04","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4334886","20.3152","0.0008","28.2622","0.001","39.7252","0.0014","90","","90","","90","","22808.3","1.5","150","2","150","2","","","","","","","","7","P n a a","-P 2ac 2bc","56","","","","- C70 H42 F36 N4 O18 Pr2 S16 -","- C70 H38 F36 N4 O18 Pr2 S16 -","- C560 H304 F288 N32 O144 Pr16 S128 -","8","1","","Fabrice Pointillart; Boris Le Guennic; Thomas Cauchy; Stéphane Golhen; Olivier Cador; Olivier Maury; Lahcène Ouahab","A Series of Tetrathiafulvalene-Based Lanthanide Complexes Displaying Either Single Molecule Magnet or Luminescence-Direct Magnetic and Photo-Physical Correlations in the Ytterbium Analogue","Inorganic Chemistry","2013","52","","5978","5990","10.1021/ic400253m","","","0.71073","MoKα","","0.1746","0.0827","","","0.2291","0.3069","","","","","","1.102","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4500325","10.139","","17.804","","20.01","","90","","90","","90","","3612.1","","296","2","296","2","","","","","","","","5","P n a a","-P 2ac 2bc","56","","","","- C38 H33 La N2 O12 -","- C38 H33 La N2 O12 -","- C152 H132 La4 N8 O48 -","4","0.5","","Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.","Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules","Crystal Growth & Design","2011","11","2","547","","10.1021/cg101432k","","","0.71073","MoKα","","0.1502","0.0802","","","0.1766","0.2109","","","","","","1.004","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500327","10.04","","17.788","","19.786","","90","","90","","90","","3533.61","","296","2","296","2","","","","","","","","5","P n a a","-P 2ac 2bc","56","","","","- C38 H33 Gd N2 O12 -","- C38 H33 Gd N2 O12 -","- C152 H132 Gd4 N8 O48 -","4","0.5","","Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.","Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules","Crystal Growth & Design","2011","11","2","547","","10.1021/cg101432k","","","0.71073","MoKα","","0.0749","0.0399","","","0.091","0.1093","","","","","","1.051","","","","has coordinates","179534","2020-10-21","18:00:00",""
"7011089","15.587","0.008","17.7284","0.0015","24.016","0.002","90","","90","","90","","6636","3","293","2","293","2","","","","","","","","5","P n a a","-P 2ac 2bc","56","Complex 2","","","- C22 H47 N5 S6 V2 -","- C22.5 H21.6 N5 S6 V2 -","- C180 H172.8 N40 S48 V16 -","8","1","","Sian C. Davies; David L. Hughes; Raymond L. Richards; J. Roger Sanders","Dinuclear iron and vanadium complexes of the N(CH2CH2S)33− ligand with bridging oxide, nitride or cyanide","J. Chem. Soc., Dalton Trans.","2002","","7","1442","1447","10.1039/b107399k","","","0.71069","Mo-Kα","","0.1463","0.0663","","0.2239","0.1642","","","","0.966","1.131","1.131","","","","","has coordinates,has disorder","179814","2020-10-21","18:00:00",""
"7024790","10.0602","0.0003","11.9199","0.0005","15.2972","0.0005","90","","90","","90","","1834.39","0.11","200","2","200","2","","","","","","","","6","P n a a","-P 2ac 2bc","56","","","","- C12 H24 Br2 N2 O2 Te -","- C12 H24 Br2 N2 O2 Te -","- C48 H96 Br8 N8 O8 Te4 -","4","0.5","","Misra, Shafalika; Chauhan, Ashok K. S.; Singh, Puspendra; Srivastava, Ramesh C.; Duthie, Andrew; Butcher, R. J.","Amidomethylation of elemental tellurium: synthesis and solid state structures of N-substituted amidomethyltellurium(IV & II) derivatives.","Dalton transactions (Cambridge, England : 2003)","2010","39","10","2637","2643","10.1039/b921362g","","","0.71073","MoKα","","0.0471","0.0248","","","0.0564","0.0651","","","","","","1.009","","","","has coordinates","179952","2020-10-21","18:00:00",""
"7024792","10.1737","0.0004","12.0732","0.0004","15.7948","0.0004","90","","90","","90","","1940.06","0.11","200","2","200","2","","","","","","","","6","P n a a","-P 2ac 2bc","56","","","","- C12 H24 I2 N2 O2 Te -","- C12 H24 I2 N2 O2 Te -","- C48 H96 I8 N8 O8 Te4 -","4","0.5","","Misra, Shafalika; Chauhan, Ashok K. S.; Singh, Puspendra; Srivastava, Ramesh C.; Duthie, Andrew; Butcher, R. J.","Amidomethylation of elemental tellurium: synthesis and solid state structures of N-substituted amidomethyltellurium(IV & II) derivatives.","Dalton transactions (Cambridge, England : 2003)","2010","39","10","2637","2643","10.1039/b921362g","","","0.71073","MoKα","","0.0382","0.0277","","","0.0689","0.0742","","","","","","1.107","","","","has coordinates","179952","2020-10-21","18:00:00",""
"7038394","6.699","0.004","19.681","0.012","22.622","0.014","90","","90","","90","","2983","3","293","2","293","2","","","","","","","","5","P n a a","-P 2ac 2bc","56","","","","- C22 H32 Cu N2 O12 -","- C22 H32 Cu N2 O12 -","- C88 H128 Cu4 N8 O48 -","4","0.5","","Puentes, Roberto; Torres, Julia; Kremer, Carlos; Cano, Joan; Lloret, Francesc; Capucci, Davide; Bacchi, Alessia","Mononuclear and polynuclear complexes ligated by an iminodiacetic acid derivative: synthesis, structure, solution studies and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5356","5373","10.1039/c5dt05060j","","","0.71073","MoKα","","0.1015","0.0714","","","0.1951","0.2184","","","","","","1.044","","","","has coordinates","181658","2020-10-21","18:00:00",""
"7106911","5.793","0.002","8.312","0.005","36.68","0.013","90","","90","","90","","1766.2","1.4","293","2","293","2","","","","","","","","5","P n a a","-P 2ac 2bc","56","","","","- C18 H10 F4 I2 N2 -","- C18 H10 F4 I2 N2 -","- C72 H40 F16 I8 N8 -","4","0.5","","Simon Lamare; Shawkat M. Aly; Daniel Fortin; Pierre D. Harvey","Incorporation of zinc(II) porphyrins in polyaniline in its perigraniline form leading to polymers with the lowest band gap","Chem.Commun.","2011","47","","10942","","10.1039/c1cc14026d","","","0.71073","MoKα","","0.1149","0.0503","","","0.1172","0.133","","","","","","1.02","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7109447","15.993","0.002","26.367","0.003","32.189","0.003","90","","90","","90","","13574","3","150","2","150","2","","","","","","","","9","P n a a","-P 2ac 2bc","56","","","","- C55 H47 Cl8 Cu F9 N4 O9 P2 S5 -","- C55 H47 Cl8 Cu F9 N4 O9 P2 S5 -","- C440 H376 Cl64 Cu8 F72 N32 O72 P16 S40 -","8","1","","Mehdi El Sayed Moussa; Fabian Friess; Wenting Shen; Muriel Hissler; Regis Reau; Christophe Lescop","Syntheses of CuI polymetallic assemblies from reaction of ligands bearing the 2,5-bis(2-pyridyl)phosphole fragment with CuII precursors","Chem.Commun.","2013","49","","6158","","10.1039/c3cc42955e","","","0.71069","MoKα","","0.177","0.1098","","","0.2273","0.2576","","","","","","1.111","","","","has coordinates","180198","2020-10-21","18:00:00",""
"8101282","8.933","0.001","11.391","0.001","27.983","0.001","90","","90","","90","","2847.2","0.5","293","2","293","2","","","","","","","","5","P n a a","-P 2ac 2bc","56","","","","- C14 H16 N2 O3 S -","- C14 H16 N2 O3 S -","- C112 H128 N16 O24 S8 -","8","1","","İngeç,Σebnem Kandil; Aydın, Abdullah; Soylu, Hüseyin; Arıcı , Cengiz; Çakír, Bilge; Şahin, M. Fethi","Crystal structure of 1-[2(3H)-benzothiazolone-3-yl]propanoylmorpholine, C~14~H~16~N~2~O~3~S","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","431","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"9011781","9.053","","12.837","","38.445","","90","","90","","90","","4467.82","","","","","","","","","","","","Lyazhvardarinskii deposit, Pamir Mountains, central Asia","8","P n a a","-P 2ac 2bc","56","","","Lazurite","- Al8.75 Ca2 Cl0.18 K0.17 Na9.77 O44.32 S2.88 Si9.25 -","- Al8.75 Ca2 Cl0.18 K0.17 Na9.77 O44.32 S2.88 Si9.25 -","- Al35 Ca8 Cl0.72 K0.68 Na39.08 O177.28 S11.52 Si37 -","4","0.5","","Evsyunin, V. G.; Rastsvetaeva, R. K.; Sapozhnikov, A. N.; Kashaev, A. A.","Modulated structure of orthorhombic lazurite","Kristallografiya","1998","43","","1057","1060","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012768","9.231","","9.134","","36.01","","90","","90","","90","","3036.22","","","","","","","","","","","","Synthetic","2","P n a a","-P 2ac 2bc","56","","","Simonellite","- C19 H24 -","- C19 -","- C152 -","8","1","","Foresti, E.; Riva di Sanseverino, L.","The X-ray crystal and molecular structure of an organic mineral: simonellite, C19H24 Locality: synthetic","Atti della Accademia Nazionale dei Lincei","1969","47","","41","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""