Crystallography Open Database
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Searching space group like 'P 1 n 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1007258 | CIF | H27 N4 O18 P3 Te | P 1 n 1 | 15.66; 6.314; 9.818 90; 105.4; 90 | 935.9 | Averbuch-Pouchot, M T; Durif, A Crystal structure of ammonium phosphate tellurate Te (O H)6 (N H4 H2 P O4)2 (N H4)2 H P O4 (T.A.A.P.). Crystal data for two isotypic salts: Te (O H)6 (K H2 P O4)2 K2 H P O4 and Te (O H)6 (N H4 H2 As O4)2 (N H4)2 H As O4 Ferroelectrics, 1984, 52, 271-279 |
| 1009030 | CIF | Na2 O4 Si Zn | P 1 n 1 | 7.02; 5.44; 5.24 90; 90.1; 90 | 200.1 | Joubert-Bettan, C A; Lachenal, R; Bertaut, E F; Parthe, E The crystal structures of Na2 Zn Si O4, Na2 Zn Ge O4 and Na2 Mg Ge O4 Journal of Solid State Chemistry, 1969, 1, 1-5 |
| 1009057 | CIF | Ge Na2 O4 Zn | P 1 n 1 | 7.17; 5.56; 5.32 90; 90.1; 90 | 212.1 | Joubert-Bettan, C A; Lachenal, R; Bertaut, E F; Parthe, E The crystal structures of Na2 Zn Si O4, Na2 Zn Ge O4 and Na2 Mg Ge O4 Journal of Solid State Chemistry, 1969, 1, 1-5 |
| 1100976 | CIF | C8 H10 Cd Cl2 N4 | P 1 n 1 | 8.5217; 5.1528; 13.719 90; 97.24; 90 | 597.61 | Ruili Sang; Li Xu A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties Inorganic Chemistry, 2005, 44, 3731-3737 |
| 1501543 | CIF | C178 H191 N O13 | P 1 n 1 | 16.8098; 10.8804; 40.022 90; 95.523; 90 | 7285.9 | Gagnon, Eric; Maris, Thierry; Wuest,James D Triarylamines Designed to Form Molecular Glasses. Derivatives of Tris(p-terphenyl-4-yl)amine with Multiple Contiguous Phenyl Substituents Organic Letters, 2010, 12, 404-407 |
| 1501998 | CIF | C29 H27 Br2 N O5 | P 1 n 1 | 8.5231; 29.4273; 11.1098 90; 98.976; 90 | 2752.3 | Xia, Bing; Gerard, Baudouin; Solano, Danielle M.; Wan, Jiandi; Jones, 2nd, Guilford; Porco, Jr, John A ESIPT-mediated photocycloadditions of 3-hydroxyquinolinones: development of a fluorescence quenching assay for reaction screening. Organic letters, 2011, 13, 1346-1349 |
| 1503445 | CIF | C10 H15 N O2 | P 1 n 1 | 10.557; 10.13; 10.861 90; 110.844; 90 | 1085.5 | Mycka, Robert J.; Steward, Omar W.; Fleming, Fraser F. Gamma-hydroxynitrile alkylations: electrophile-dependent stereoselectivity. Organic letters, 2010, 12, 3030-3033 |
| 1503536 | CIF | C26 H22 F N3 O4 S2 | P 1 n 1 | 11.03; 8.972; 12.853 90; 91.448; 90 | 1271.5 | Han, Yan-Yan; Chen, Wen-Bing; Han, Wen-Yong; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng Highly efficient and stereoselective construction of dispiro-[oxazolidine-2-thione]bisoxindoles and dispiro[imidazolidine-2-thione]bisoxindoles. Organic letters, 2012, 14, 490-493 |
| 1504347 | CIF | C17 H28 Cl2 N3 O P Ru | P 1 n 1 | 6.6343; 20.033; 15.188 90; 97.73; 90 | 2000.2 | Casini, Angela; Gabbiani, Chiara; Sorrentino, Francesca; Rigobello, Maria Pia; Bindoli, Alberto; Geldbach, Tilmann J.; Marrone, Alessandro; Re, Nazzareno; Hartinger, Christian G.; Dyson, Paul J.; Messori, Luigi Emerging protein targets for anticancer metallodrugs: inhibition of thioredoxin reductase and cathepsin B by antitumor ruthenium(II)-arene compounds. Journal of medicinal chemistry, 2008, 51, 6773-6781 |
| 1505318 | CIF | C82 H86 F24 N7 O8.5 P4 | P 1 n 1 | 20.39; 18.3; 22.938 90; 92.504; 90 | 8551 | Peng, Xiao-Xia; Lu, Hai-Yan; Han, Tao; Chen, Chuan-Feng Synthesis of a novel triptycene-based molecular tweezer and its complexation with paraquat derivatives. Organic letters, 2007, 9, 895-898 |
| 1505679 | CIF | C21 H16 F N3 O2 | P 1 n 1 | 9.705; 5.644; 15.603 90; 98.293; 90 | 845.72 | Nie, Aihua; Huang, Ziwei Microwave-Assisted Reaction of 2‘-Hydroxychalcones with Hydrazides to Synthesize Flavanone Hydrazone and 4,5-Dihydropyrazole Derivatives Journal of Combinatorial Chemistry, 2006, 8, 655 |
| 1506026 | CIF | C17 H19 Cl N2 S | P 1 n 1 | 9.0868; 9.7252; 9.844 90; 107.272; 90 | 830.7 | Zhu, Yulin; Huang, Shenlin; Wan, Jieping; Yan, Lei; Pan, Yuanjiang; Wu, Anxin Two novel diastereoselective three-component reactions of alkenes or 3,4-dihydro-(2H)-pyran with urea/thiourea-aldehyde mixtures: [4 + 2] cycloaddition vs Biginelli-type reaction. Organic letters, 2006, 8, 2599-2602 |
| 1506497 | CIF | C28 H18 N6 O14 | P 1 n 1 | 17.22; 8.4231; 21.729 90; 110.017; 90 | 2961.3 | Katz, Jeffrey L.; Feldman, Michael B.; Conry, Rebecca R. Synthesis of functionalized oxacalix[4]arenes. Organic letters, 2005, 7, 91-94 |
| 1506534 | CIF | C18 H14 I2 N4 O2 | P 1 n 1 | 4.5341; 33.343; 14.4556 90; 93.812; 90 | 2180.6 | Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W. Designed cocrystals based on the pyridine-iodoalkyne halogen bond. Organic letters, 2005, 7, 1891-1893 |
| 1506740 | CIF | C10 H11 F3 N2 O3 S | P 1 n 1 | 9.3647; 10.3859; 13.1874 90; 91.777; 90 | 1282 | Charette, André B; Mathieu, Simon; Martel, Jonathan Electrophilic activation of lactams with Tf2O and pyridine: expedient synthesis of (+/-)-tetraponerine T4. Organic letters, 2005, 7, 5401-5404 |
| 1507258 | CIF | C11 H16 O5 | P 1 n 1 | 8.681; 7.913; 8.884 90; 91.96; 90 | 609.9 | Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Pérez-Hernández, Natalia; Pérez, Ricardo; Martín, Julio D Controlled incorporation of water molecules into carboxy hydrogen-bond networks: a designed approach. Organic letters, 2003, 5, 641-644 |
| 1508036 | CIF | C98 H81 B F24 Fe N O3 P3 Si | P 1 n 1 | 13.2539; 16.3059; 21.3757 90; 90.561; 90 | 4619.43 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508402 | CIF | H3 Li O6 Se2 | P 1 n 1 | 6.25; 7.88; 5.43 90; 105.2; 90 | 258 | Vedam, K.; Okaya, Y.; Pepinsky, R. Crystal structure of ferroelectric LiH3(SeO3)2 Physical Review, 1960, 119, 1252-1255 |
| 1509701 | CIF | Ag2 O4 Si Zn | P 1 n 1 | 6.9732; 5.4967; 5.4199 90; 89.562; 90 | 207.736 | Hoerlin, T.; Vaivars, G.; Grins, J. Synthesis, structure and conductivity of Ag2 Zn Si O4, Ag2 Zn Ge O4 and Ag2 Be Si O4 Solid State Ionics, 1995, 78, 259-267 |
| 1509763 | CIF | Ag2 Bi O3 | P 1 n 1 | 5.95492; 6.31001; 9.58082 90; 92.4823; 90 | 359.667 | Dinnebier, R.E.; Jansen, M.; Ibberson, R.M.; Oberndorfer, C.P.M. Charge ordering in Ag2 Bi O3 Solid State Sciences, 2006, 8, 267-276 |
| 1509810 | CIF | Ag2 Ge O4 Zn | P 1 n 1 | 7.1254; 5.609; 5.4997 90; 89.754; 90 | 219.801 | Hoerlin, T.; Grins, J.; Vaivars, G. Synthesis, structure and conductivity of Ag2 Zn Si O4, Ag2 Zn Ge O4 and Ag2 Be Si O4 Solid State Ionics, 1995, 78, 259-267 |
| 1509969 | CIF | Ag7 S6 Ta | P 1 n 1 | 7.453; 7.4026; 10.5401 90; 90.069; 90 | 581.514 | Ishii, M.; Wada, H.; Onoda, M. Crystal structure model of a low-temperature phase (phase II) of argyrodite-family Ag7 Ta S6 Solid State Ionics, 1996, 86, 217-222 |
| 1513422 | CIF | C34 H40 Cl F6 N2 P | P 1 n 1 | 8.4401; 24.4463; 31.1399 90; 94.948; 90 | 6401.1 | Véron, Anna C; Zhang, Hui; Linden, Anthony; Nüesch, Frank; Heier, Jakob; Hany, Roland; Geiger, Thomas NIR-Absorbing Heptamethine Dyes with Tailor-Made Counterions for Application in Light to Energy Conversion. Organic letters, 2014, 16, 1044-1047 |
| 1513762 | CIF | C34 H33 Cl3 N2 Pd | P 1 n 1 | 11.7926; 9.4147; 14.555 90; 101.906; 90 | 1581.19 | Huo, Ping; Liu, Wanyun; He, Xiaohui; Wei, Zhenhong; Chen, Yiwang Substituent effects and activation mechanism of norbornene polymerization catalyzed by three-dimensional geometry α-diimine palladium complexes Polymer Chemistry, 2014, 5, 1210 |
| 1516502 | CIF | C12.5 H17.5 Cl2 N2.5 O3 Ru S3 | P 1 n 1 | 11.7724; 13.4968; 12.2285 90; 110.968; 90 | 1814.32 | Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science, 2014, 5, 3883 |
| 1517042 | CIF | C17 H24 N4 O5 Zn | P 1 n 1 | 9.47; 8.8874; 11.3366 90; 94.809; 90 | 950.8 | Rui-Li Zhao; Ke-Fen Yue; Chun-sheng Zhou; Qiao-De-Mei Cheng; Jing-Tao Shi; Yong-Liang Liu; Yao-Yu Wang A study of zinc(II) coordination polymers with identical meso-helix based on 1,4-bis(2-methyl-imidazol-1-yl)butane Inorganica Chimica Acta, 2013, 402, 25-32 |
| 1518251 | CIF | C61 H60 B Cl0 F20 N4 Nb | P 1 n 1 | 15.2666; 16.9177; 25.577 90; 97.658; 90 | 6547 | Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John Electron localization in a mixed-valence diniobium benzene complex Chem. Sci., 2015, 6, 993 |
| 1519068 | CIF | Cs6 H5 Mo10 O42 P V2 | P 1 n 1 | 10.982; 10.614; 17.487 90; 91.64; 90 | 2037.5 | Hashimoto, Masato; Selling, Anna; Hakansson, Mikael; Pettersson, Lage Multicomponent Polyanions. 52. Crystal Structure of Hexacaesium Monohydrogen Decamolybdo(VI)divanado(IV)phosphate(7‒) Dihydrate. Acta Chemica Scandinavica, 1999, 53, 305-313 |
| 1519105 | CIF | C24 H134 B6 N26 O87 P12 V12 | P 1 n 1 | 13.8684; 17.492; 22.5 90; 102.147; 90 | 5336 | Junghwan Do; Li-Min Zheng; Ranko P. Bontchev; Allan J. Jacobson Synthesis, structure and magnetic properties of (NH4)2(C3H12N3)8[V2P2BO12]6.15H2O Solid State Sciences, 2000, 2, 343-351 |
| 1519522 | CIF | C34 H48 Cl2 N4 O2 | P 1 n 1 | 13.2385; 16.9228; 15.0678 90; 99.944; 90 | 3324.96 | Shi, A. J.; Hursthouse, Michael B.; Light, Mark E.; Carniolo, S.; Gale, Phil A. Tetrabutylammonium N,N'-diphenyl-3,4-dichloropyrrolate-2,5-dicarboxamide Crystal Structure Report Archive, 2002, 53 |
| 1520064 | CIF | C4 H2 N10 O7 | P 1 n 1 | 7.8; 8.2; 8.6 90; 115.4; 90 | 496.9 | Zhang, Jiaheng; Shreeve, Jean’ne M. Nitroaminofurazans with Azo and Azoxy Linkages: A Comparative Study of Structural, Electronic, Physicochemical, and Energetic Properties The Journal of Physical Chemistry C, 2015, 119, 12887 |
| 1520283 | CIF | C25 H23 B Br O2 P | P 1 n 1 | 9.8278; 9.4884; 12.0388 90; 94.74; 90 | 1118.78 | Tizzard, Graham J.; Hursthouse, Michael B.; Spencer, John C31H33O2BBrP Crystal Structure Report Archive, 2009, 1047 |
| 1520381 | CIF | C21 H31 N3 O2 | P 1 n 1 | 4.6265; 5.6189; 38.026 90; 90.753; 90 | 988.43 | Nakane, Yuta; Takeda, Takashi; Hoshino, Norihisa; Sakai, Ken-Ichi; Akutagawa, Tomoyuki Cation-Anion Dual Sensing of a Fluorescent Quinoxalinone Derivative Using Lactam-Lactim Tautomerism. The journal of physical chemistry. A, 2015, 119, 6223-6231 |
| 1520514 | CIF | C20 H24 O4 S | P 1 n 1 | 11.2988; 5.7063; 14.045 90; 102.129; 90 | 885.3 | Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju Synthesis of Substituted Benzenes via Bi(OTf)3-Mediated Intramolecular Carbonyl Allylation of α-Prenyl or α-Geranyl β-Arylketosulfones. Organic letters, 2015, 17, 3142-3145 |
| 1520562 | CIF | C46 H46 Cl2 F6 O14 S2 | P 1 n 1 | 11.616; 18.2419; 11.617 90; 94.1589; 90 | 2455.14 | Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives. Organic letters, 2015, 17, 3260-3263 |
| 1520709 | CIF | C324.95 H223.55 Cu4 N97.65 Na11.5 O115.55 S16 Zn12 | P 1 n 1 | 21.91216; 32.64068; 35.0386 90; 98.2694; 90 | 24800 | Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari Mixed valence mono- and hetero-metallic grid catenanes Chem. Sci., 2015, 6, 5712 |
| 1522997 | CIF | H3 Li O6 Se2 | P 1 n 1 | 6.2554; 7.8823; 5.4339 90; 105.325; 90 | 258.402 | Tellgren, R.; Liminga, R. Hydrogen bond studies. 54. A neutron diffraction study of the ferroelectric lithium trihydrogen selenite, Li H3 (Se O3)2 Journal of Solid State Chemistry, 1972, 4, 255-261 |
| 1526126 | CIF | H5 N O4 S | P 1 n 1 | 15.119; 4.58; 15.119 90; 117.86; 90 | 925.57 | Nelmes, R.J. The structure of ammonium hydrogen sulphate in its ferroelectric phase and the ferroelectric transition Ferroelectrics, 1972, 4, 133-140 |
| 1534527 | CIF | Cs Ga2 O16 P5 | P 1 n 1 | 7.462; 9.241; 10.103 90; 110.731; 90 | 651.559 | Lesage, J.; Raveau, B.; Guesdon, A. New gallium pentaphosphates : AGa2P5O16 (A = Rb, Cs) Solid State Sciences, 2004, 6, 697-703 |
| 1534531 | CIF | Ga2 O16 P5 Rb | P 1 n 1 | 7.4058; 9.2151; 10.0912 90; 110.768; 90 | 643.928 | Lesage, J.; Guesdon, A.; Raveau, B. New gallium pentaphosphates: A Ga2 P5 O16 (A = Rb, Cs) Solid State Sciences, 2004, 6, 697-703 |
| 1534842 | CIF | H22 N5 O11 P3 | P 1 n 1 | 6.429; 10.326; 11.013 90; 90; 90 | 731.107 | Lyakhov, A.S.; Palkina, K.K.; Selevich, A.F. Crystal structure of ammonium triphosphate hydrate (N H4)5 P3 O10 .(H2 O) Zhurnal Neorganicheskoi Khimii, 1994, 39, 1438-1442 |
| 1535170 | CIF | D2.824 H0.176 Na O6 Se2 | P 1 n 1 | 10.314; 9.663; 5.768 90; 91.23; 90 | 574.731 | McMullan, R.K.; Nagle, J.F.; Thomas, R. Structures of the paraelectric and ferroelectric phases of Na D3 (Se O3)2 by neutron diffraction: A vertex model for the ordered ferroelectric state Journal of Chemical Physics, 1982, 77, 537-547 |
| 1535186 | CIF | H I3 La O9.5 | P 1 n 1 | 7.219; 11.139; 10.708 90; 91.86; 90 | 860.603 | Hector, A.L.; Henderson, S.; Levason, W.; Webster, M. Hydrothermal synthesis of scandium, yttrium and lanthanide iodates from the corresponding periodates: X-ray crystal structures of Sc (I O3)3, Y (I O3)3 * 2(H2 O), La (I O3)3 * 1/2(H2 O) and Lu (I O3)3 * 2(H2 O) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 198-202 |
| 1537469 | CIF | Al13 H79 O68 S3 | P 1 n 1 | 14.18; 11.5; 17.73 90; 102.3; 90 | 2824.86 | Johansson, G. On the crystal structure of the basic aluminum sulfate (Al2 O3)13 (S O3)6 (H2 O)79 Arkiv foer Kemi, 1963, 20, 321-342 |
| 1540617 | CIF | C30 H26 O3 S | P 1 n 1 | 14.188; 5.8892; 15.3276 90; 103.795; 90 | 1243.77 | Chang, Meng-Yang; Cheng, Yu-Chieh Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones. Organic letters, 2015, 17, 5702-5705 |
| 1540748 | CIF | C42 H72 Fe K2 O15 S10 | P 1 n 1 | 9.666; 17.7362; 17.9259 90; 104.302; 90 | 2977.9 | Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E. A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation Chem. Sci., 2016, 7, 416 |
| 1543451 | CIF | C33 H25 B F4 Ni | P 1 n 1 | 10.2168; 8.9068; 14.1388 90; 96.912; 90 | 1277.27 | Craig, Peter R.; Havlas, Zdeněk; Trujillo, Marianela; Rempala, Pawel; Kirby, James P.; Miller, John R.; Noll, Bruce C.; Michl, Josef Electronic Spectra of the Tetraphenylcyclobutadienecyclopentadienylnickel(II) Cation and Radical. The journal of physical chemistry. A, 2016, 120, 3456-3462 |
| 1543496 | CIF | C58 H56 O20 | P 1 n 1 | 7.7437; 24.157; 14.585 90; 91.656; 90 | 2727.2 | Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang Functionalized O6-Corona[6]arenes: Synthesis, Structure, and Fullerene Complexation Property. Organic letters, 2016, 18, 3126-3129 |
| 1544326 | CIF | C99.54 H82 Cl5.08 F24 N4 Os P10 Pd | P 1 n 1 | 17.6742; 13.931; 24.3295 90; 107.34; 90 | 5718.15 | Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production Faraday Discuss., 2016 |
| 1545239 | CIF | H16 La2 O20 S3 | P 1 n 1 | 6.881; 17.376; 6.923 90; 92.34; 90 | 827.1 | Vanderpool, Richard A.; Khan, Masood A.; Frech, Roger Structure and Raman spectra of single-crystal La2(SO4)3.8H2O Journal of Molecular Structure, 1991, 245, 255-273 |
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