Crystallography Open Database
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Searching space group like 'P n a a'
| COD ID: 1534345 | |
| CIF file | Formula: - Li2 O5 Te2 - Comments: 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 37 (1981) 352-361 Space group: P n a a Cell volume: 1025.44 Cell parameters: 5.194; 8.17; 24.165; 90; 90; 90; |
| COD ID: 1545897 | |
| CIF file | Formula: - C4 H15 Ga N2 O8 P2 - Comments: 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 136 (1998) 227-232 Space group: P n a a Cell volume: 1203.4 Cell parameters: 9.109; 11.021; 11.987; 90; 90; 90; |
| COD ID: 2007507 | |
| CIF file | Formula: - C14 H12 N2 O2 S - Comments: Hdii, Fatiha; Reboul, Jean-Pierre; Barbe, Jacques; Siri, Didier; Pèpe, Gérard 10-Ethyl-3-nitrophenothiazine Acta Crystallographica Section C 54(8) (1998) 1151-1152 Space group: P n a a Cell volume: 2539.1 Cell parameters: 7.654; 11.282; 29.404; 90; 90; 90; |
| COD ID: 2101423 | |
| CIF file | Formula: - C18 H18 Fe O - Comments: 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 52(1) (1996) 110-121 Space group: P n a a Cell volume: 2883.3 Cell parameters: 9.8589; 15.28; 19.1399; 90; 90; 90; |
| COD ID: 2106481 | |
| CIF file | Formula: - Mn O9 P3 - Comments: Bagieu-Beucher, M. Structure cristalline du polyphosphate de manganese trivalent Mn (P O3)3 Acta Crystallographica B (24,1968-38,1982) 34 (1978) 1443-1446 Space group: P n a a Cell volume: 658.479 Cell parameters: 9.703; 10.667; 6.362; 90; 90; 90; |
| COD ID: 2203740 | |
| CIF file | Formula: - C9 H7 Cl N2 O2 - Comments: 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 60(6) (2004) o964-o965 Space group: P n a a Cell volume: 1878.9 Cell parameters: 6.8548; 12.042; 22.762; 90; 90; 90; |
| COD ID: 2224991 | |
| CIF file | Formula: - C18 H24 N4 S4 Zn - Comments: 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 66(2) (2010) m208 Space group: P n a a Cell volume: 2180.7 Cell parameters: 16.9478; 19.3282; 6.6572; 90; 90; 90; |
| COD ID: 4020403 | |
| CIF file | Formula: - C14 H16 O2 - Comments: Jeremy Robertson; Petra M. Stafford; Stephen J. Bell Silatropic Carbonyl Ene Cyclizations in the Synthesis of Pseudosugars and Hydroxylated Piperidines Journal of Organic Chemistry 70 (2005) 7133-7148 Space group: P n a a Cell volume: 2357.72 Cell parameters: 8.4023; 16.1062; 17.4221; 90; 90; 90; |
| COD ID: 4035339 | |
| CIF file | Formula: - C10 H16 F2 O2 - Comments: 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 83(16) (2018) 8888-8905 Space group: P n a a Cell volume: 1997.1 Cell parameters: 9.904; 22.127; 9.113; 90; 90; 90; |
| COD ID: 4064577 | |
| CIF file | Formula: - C75 H64 B2 Cl6 F8 Fe8 O8 P2 Pd - Comments: 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 30(15) (2011) 3992 Space group: P n a a Cell volume: 16394 Cell parameters: 18.454; 24.536; 36.207; 90; 90; 90; |
| COD ID: 4084510 | |
| CIF file | Formula: - C24 H25 Cl Co N3 O2 - Comments: 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 33(21) (2014) 6076 Space group: P n a a Cell volume: 4298.1 Cell parameters: 7.227; 24.325; 24.449; 90; 90; 90; |
| COD ID: 4106387 | |
| CIF file | Formula: - C23 H23 N - Comments: 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 133 (2011) 10340-10343 Space group: P n a a Cell volume: 3504.3 Cell parameters: 6.926; 20.9628; 24.1363; 90; 90; 90; |
| COD ID: 4111813 | |
| CIF file | Formula: - C30 H36 O2 S2 - Comments: 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 127 (2005) 10350-10355 Space group: P n a a Cell volume: 5626.4 Cell parameters: 8.759; 15.009; 42.798; 90; 90; 90; |
| COD ID: 4121108 | |
| CIF file | Formula: - C25 H42 N O2 P2 Re - Comments: 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 135 (2013) 17004-17018 Space group: P n a a Cell volume: 5378.1 Cell parameters: 11.3342; 15.5145; 30.5847; 90; 90; 90; |
| COD ID: 4125889 | |
| CIF file | Formula: - C144 H162 Au25 S18 - Comments: 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 139(11) (2017) 4168-4174 Space group: P n a a Cell volume: 15639.1 Cell parameters: 18.5677; 31.2061; 26.9907; 90; 90; 90; |
| COD ID: 4302200 | |
| CIF file | Formula: - C56 H82 Cl2 Cu7 N6 O34 - Comments: 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 48 (2009) 4610-4612 Space group: P n a a Cell volume: 7413 Cell parameters: 20.42; 14.89; 24.38; 90; 90; 90; |
| COD ID: 4305586 | |
| CIF file | Formula: - C34 H70 N6 Na4 O41.26 V4 - Comments: 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 47 (2008) 7211-7224 Space group: P n a a Cell volume: 6049.1 Cell parameters: 12.288; 19.1695; 25.6802; 90; 90; 90; |
| COD ID: 4305705 | |
| CIF file | Formula: - C58 H36 N2 Pb Pt2 - Comments: 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 47 (2008) 7703-7716 Space group: P n a a Cell volume: 9001.8 Cell parameters: 12.5149; 19.5368; 36.8169; 90; 90; 90; |
| COD ID: 4331244 | |
| CIF file | Formula: - C18 H12 I2 N2 - Comments: 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 51 (2012) 13081-13095 Space group: P n a a Cell volume: 1650.2 Cell parameters: 5.926; 7.516; 37.051; 90; 90; 90; |
| COD ID: 4332779 | |
| CIF file | Formula: - C144 H112 Ag8 O16 Pt4 - Comments: 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 45(19) (2006) 7788-7798 Space group: P n a a Cell volume: 6110.67 Cell parameters: 14.873; 16.728; 24.561; 90; 90; 90; |
| COD ID: 4333675 | |
| CIF file | Formula: - C22 H14 B4 F13 N2 O2 S8 - Comments: 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 52 (2013) 1398-1408 Space group: P n a a Cell volume: 3255.8 Cell parameters: 12.3485; 13.4518; 19.6002; 90; 90; 90; |
| COD ID: 4334886 | |
| CIF file | Formula: - C70 H42 F36 N4 O18 Pr2 S16 - Comments: 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 52 (2013) 5978-5990 Space group: P n a a Cell volume: 22808.3 Cell parameters: 20.3152; 28.2622; 39.7252; 90; 90; 90; |
| COD ID: 4500325 | |
| CIF file | Formula: - C38 H33 La N2 O12 - Comments: 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 11(2) (2011) 547 Space group: P n a a Cell volume: 3612.1 Cell parameters: 10.139; 17.804; 20.01; 90; 90; 90; |
| COD ID: 4500327 | |
| CIF file | Formula: - C38 H33 Gd N2 O12 - Comments: 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 11(2) (2011) 547 Space group: P n a a Cell volume: 3533.61 Cell parameters: 10.04; 17.788; 19.786; 90; 90; 90; |
| COD ID: 7011089 | |
| CIF file | Formula: - C22 H47 N5 S6 V2 - Comments: 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. (issue 7) (2002) 1442-1447 Space group: P n a a Cell volume: 6636 Cell parameters: 15.587; 17.7284; 24.016; 90; 90; 90; |
| COD ID: 7024790 | |
| CIF file | Formula: - C12 H24 Br2 N2 O2 Te - Comments: 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) 39(10) (2010) 2637-2643 Space group: P n a a Cell volume: 1834.39 Cell parameters: 10.0602; 11.9199; 15.2972; 90; 90; 90; |
| COD ID: 7024792 | |
| CIF file | Formula: - C12 H24 I2 N2 O2 Te - Comments: 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) 39(10) (2010) 2637-2643 Space group: P n a a Cell volume: 1940.06 Cell parameters: 10.1737; 12.0732; 15.7948; 90; 90; 90; |
| COD ID: 7038394 | |
| CIF file | Formula: - C22 H32 Cu N2 O12 - Comments: 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) 45(12) (2016) 5356-5373 Space group: P n a a Cell volume: 2983 Cell parameters: 6.699; 19.681; 22.622; 90; 90; 90; |
| COD ID: 7106911 | |
| CIF file | Formula: - C18 H10 F4 I2 N2 - Comments: 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. 47 (2011) 10942 Space group: P n a a Cell volume: 1766.2 Cell parameters: 5.793; 8.312; 36.68; 90; 90; 90; |
| COD ID: 7109447 | |
| CIF file | Formula: - C55 H47 Cl8 Cu F9 N4 O9 P2 S5 - Comments: 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. 49 (2013) 6158 Space group: P n a a Cell volume: 13574 Cell parameters: 15.993; 26.367; 32.189; 90; 90; 90; |
| COD ID: 8101282 | |
| CIF file | Formula: - C14 H16 N2 O3 S - Comments: 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 215(3) (2000) 431-432 Space group: P n a a Cell volume: 2847.2 Cell parameters: 8.933; 11.391; 27.983; 90; 90; 90; |
| COD ID: 9011781 | |
| CIF file | Formula: - Al8.75 Ca2 Cl0.18 K0.17 Na9.77 O44.32 S2.88 Si9.25 - Comments: Evsyunin, V. G.; Rastsvetaeva, R. K.; Sapozhnikov, A. N.; Kashaev, A. A. Modulated structure of orthorhombic lazurite Kristallografiya 43 (1998) 1057-1060 Space group: P n a a Cell volume: 4467.82 Cell parameters: 9.053; 12.837; 38.445; 90; 90; 90; |
| COD ID: 9012768 | |
| CIF file | Formula: - C19 H24 - Comments: 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 47 (1969) 41-54 Space group: P n a a Cell volume: 3036.22 Cell parameters: 9.231; 9.134; 36.01; 90; 90; 90; |
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