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 |
| 1545711 | CIF | C88 H108 B2 F6 N6 O3 Te2 | P 1 n 1 | 12.2007; 20.9116; 17.3413 90; 107.773; 90 | 4213.2 | Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss., 2017 |
| 1546746 | CIF | C12 H18 Cl O2 Sc | P 1 n 1 | 7.0301; 10.1171; 9.2007 90; 101.433; 90 | 641.41 | Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes Chem. Sci., 2017 |
| 1546929 | CIF | C2 D5 N O2 | P 1 n 1 | 5.023; 5.9846; 5.4946 90; 114.654; 90 | 150.11 | Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G. ζ-Glycine: insight into the mechanism of a polymorphic phase transition IUCrJ, 2017, 4, 569-574 |
| 1547463 | CIF | C24 H17 F3 N2 O2 | P 1 n 1 | 9.8771; 10.6875; 36.521 90; 96.428; 90 | 3831 | Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol., 2017 |
| 1547566 | CIF | C4 H4 N2 O2 | P 1 n 1 | 3.8868; 5.4329; 10.8693 90; 97.068; 90 | 227.78 | Rozen, Shlomo; Shaffer, Avshalom Synthesis of N,N-Dioxopyridazines. Organic letters, 2017, 19, 4707-4709 |
| 1547642 | CIF | C20 H28 N2 O5 S | P 1 n 1 | 6.2851; 16.6804; 9.9664 90; 96.0995; 90 | 1038.94 | Gaunt, Matthew J.; Hogg, Kirsten F.; Trowbridge, Aaron; Álvarez-Pérez, Andrea The α-Tertiary Amine Motif Drives Remarkable Selectivity for Pd-Catalyzed Carbonylation of β-methylene C–H bonds Chem. Sci., 2017 |
| 1548875 | CIF | C18 H39 Ag B10 N2 O7 P2 Ru | P 1 n 1 | 10.6009; 13.8331; 11.0738 90; 103.867; 90 | 1576.57 | Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V. Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls. Chemical science, 2018, 9, 2601-2608 |
| 1549629 | CIF | C48 H86 B Fe K2 N2 O6 P3 | P 1 n 1 | 12.8973; 12.5342; 17.2106 90; 98.668; 90 | 2750.4 | Deegan, Meaghan M.; Peters, Jonas C. Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes. Chemical science, 2018, 9, 6264-6270 |
| 1550019 | CIF | C38 H23 N3 O26 S8 | P 1 n 1 | 11.0583; 10.7138; 21.6433 90; 91.862; 90 | 2562.87 | Jeamet, Emeric; Septavaux, Jean; Héloin, Alexandre; Donnier-Maréchal, Marion; Dumartin, Melissa; OURRI, Benjamin; Mandal, Pradeep Kumar; Huc, Ivan; Bignon, Emmanuelle; Dumont, Elise; Morell, Christophe; Francoia, Jean-Patrick; PERRET, Florent; Vial, Laurent; Leclaire, Julien Wetting the lock and key enthalpically favours polyelectrolytes binding Chemical Science, 2018 |
| 1550171 | CIF | C50 H75 Cu3 Zn4 | P 1 n 1 | 16.1793; 37.93; 17.4798 90; 105.636; 90 | 10330 | Banh, Hung; Hornung, Julius; Kratz, Thilo; Gemel, Christian; Pöthig, Alexander; Gam, Franck; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A. Embryonic brass: pseudo two electron Cu/Zn clusters. Chemical science, 2018, 9, 8906-8913 |
| 1550824 | CIF | C22 H19 N3 O4 | P 1 n 1 | 8.559; 24.701; 17.801 90; 90; 90 | 3763 | Manna, Amit Kumar; Rout, Kalyani; Chowdhury, Shubhamoy; Patra, Goutam K. A dual-mode highly selective and sensitive Schiff base chemosensor for fluorescent colorimetric detection of Ni<sup>2+</sup> and colorimetric detection of Cu<sup>2</sup>. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 1512-1525 |
| 1551413 | CIF | C21 H15 N3 O3 Pd | P 1 n 1 | 15.0023; 6.9693; 17.7197 90; 112.945; 90 | 1706.1 | Van T. Tran; John A. Gurak Jr; Kin S. Yang; Keary M. Engle Activation of diverse carbon-heteroatom and carbon-carbon bonds via palladium(ii)-catalysed beta-X elimination Nature Chemistry, 2018, 10, 1126-1133 |
| 1552236 | CIF | C60 H131 F K2 N4 O12 Si17 | P 1 n 1 | 16.4939; 25.3561; 22.6197 90; 90.756; 90 | 9459.2 | Schiegerl, Lorenz; Karttunen, Antti J.; Klein, Wilhelm; Fässler, Thomas F Silicon Clusters with Six and Seven Unsubstituted Vertices via a Two-step Reaction from Elemental Silicon Chemical Science, 2019 |
| 1552376 | CIF | C16 Al Cl3 F36 O4 Se | P 1 n 1 | 16.5135; 31.9553; 19.1323 90; 105.965; 90 | 9706.6 | Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase Chemical Science, 2019 |
| 1552889 | CIF | C16 H11 B F2 N2 O | P 1 n 1 | 7.2084; 10.4274; 17.7519 90; 94.312; 90 | 1330.54 | Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state Photochemical & Photobiological Sciences, 2019 |
| 1556088 | CIF | C72 H63 Ag3 Cl2 N4 O3 P6 | P 1 n 1 | 16.0687; 13.7323; 16.9464 90; 113.932; 90 | 3417.91 | Ma, Howard Z.; McKay, Alasdair I.; Mravak, Antonija; Scholz, Michael S.; White, Jonathan M.; Mulder, Roger J.; Bieske, Evan J.; Bonačić-Koutecký, Vlasta; O'Hair, Richard A. J. Structural characterization and gas-phase studies of the [Ag10H8(L)6]2+ nanocluster dication Nanoscale, 2019 |
| 1556788 | CIF | C19 H17 I N2 O2 | P 1 n 1 | 10.7653; 7.3634; 11.4066 90; 109.025; 90 | 854.8 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1557238 | CIF | C29 H36 Au B10 Cl2 F6 P2 Sb | P 1 n 1 | 10.0221; 13.3021; 14.7578 90; 95.633; 90 | 1957.94 | Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes Chemical Science, 2020, 11, 2750-2758 |
| 1557380 | CIF | C60 H56 B2 F8 N2 O8 | P 1 n 1 | 12.5252; 16.8071; 12.9207 90; 90.786; 90 | 2719.7 | Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts Chemical Science, 2020, 11, 3192-3197 |
| 1557530 | CIF | C65 H116 Al2 Cd2 Mo24 N10 O137 P16 | P 1 n 1 | 15.882; 21.676; 25.338 90; 94.559; 90 | 8695.2 | Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes Catalysis Science & Technology, 2020, 10, 2593-2601 |
| 1557861 | CIF | C8 H4 N2 | P 1 n 1 | 14.125; 3.844; 14.305 90; 119.046; 90 | 679 | Yuan, Jie; Wang, Yongrong; Li, Ling; Wang, Shuang; Tang, Xingxing; Wang, Honglei; Li, Mingguang; Zheng, Chao; Chen, Runfeng Activating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence The Journal of Physical Chemistry C, 2020 |
| 1558161 | CIF Paper | C12 H22 N2 O3 S | P 1 n 1 | 10.2564; 6.5369; 10.9683 90; 95.067; 90 | 732.5 | Sarr, Bougar; Mbaye, Abdou; Touré, Assane; Diop, Cheikh Abdoul Khadir; Sidibé, Mamadou; Michaud, François Dipropylammonium 4-aminobenzenesulfonate IUCrData, 2020, 5, x200659 |
| 1559319 | CIF | C44 H72 B N4 Nb O4 | P 1 n 1 | 12.535; 17.446; 20.5667 90; 96.552; 90 | 4468.3 | Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John 1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes Chemical Science, 2020 |
| 1559869 | CIF | C60 H90 S10 | P 1 n 1 | 10.37; 21.376; 14.87 90; 90.74; 90 | 3295.9 | Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud Flat corannulene: when a transition state becomes a stable molecule Chemical Science, 2020, 11, 13015-13025 |
| 1561794 | CIF | C29 H35 Cu2 N5 O14 | P 1 n 1 | 11.4795; 8.8862; 15.9648 90; 93.708; 90 | 1625.15 | Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Antonia Señarís-Rodríguez, M.; Sánchez-Andújar, Manuel; Arriortua, María-Isabel Cu-PDC-bpa solid coordination frameworks (PDC=2,5-pyrindinedicarboxylate; bpa=1,2-DI(4-pyridil)ethane)): 2D and 3D structural flexibility producing a 3-c herringbone array next to ideal Journal of Solid State Chemistry, 2015, 230, 191-198 |
| 1562773 | CIF | C30 H41 B Cu2 N6 O48 W12 | P 1 n 1 | 13.116; 15.76; 14.792 90; 94.418; 90 | 3048.5 | Pang, Haijun; Yang, Ming; Kang, Lu; Ma, Huiyuan; Liu, Bo; Li, Shaobin; Liu, Heng An unusual 3D interdigitated architecture assembled from Keggin polyoxometalates and dinuclear copper(II) complexes Journal of Solid State Chemistry, 2013, 198, 440-444 |
| 1563016 | CIF | C4 H11 B F4 N2 | P 1 n 1 | 8.4324; 9.1762; 9.5654 90; 98.418; 90 | 732.17 | Wojtaś, M.; Gagor, A.; Czupiński, O.; Medycki, W.; Jakubas, R. Crystal structure and characterization of the novel hydrogen bonded polar crystal Journal of Solid State Chemistry, 2012, 187, 35-44 |
| 1563714 | CIF | C81 H186 Ag20 O27 P12 Pt Se24 | P 1 n 1 | 17.9783; 26.4928; 18.7771 90; 112.71; 90 | 8250.1 | Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W. All-selenolate-protected eight-electron platinum/silver nanoclusters. Nanoscale, 2021, 13, 12143-12148 |
| 1564266 | CIF | C69 H56 Cl Cu N2 O2 | P 1 n 1 | 14.4801; 18.5079; 20.3673 90; 91.94; 90 | 5455.2 | Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization Chemical Science, 2021 |
| 1564424 | CIF | C15 H15 Co N3 O5 | P 1 n 1 | 6.1722; 12.6903; 10.3679 90; 90.645; 90 | 812.04 | Zhu, Liwei; Liu, Ning; Yu, Liangmin; Jiang, Xiaohui; Li, Xia pH-dependent synthesis of two three-dimensional cobalt-based metal organic frameworks with antibacterial activity and dye adsorption Inorganica Chimica Acta, 2020, 510, 119728 |
| 1565042 | CIF | C20 H36 B N9 O3 | P 1 n 1 | 7.3725; 7.2227; 23.4925 90; 97.826; 90 | 1239.31 | Lennox, Cameron B.; Do, Jean-Louis; Crew, Joshua G.; Arhangelskis, Mihails; Titi, Hatem M.; Howarth, Ashlee J.; Farha, Omar K.; Friščić, Tomislav Simplifying and expanding the scope of boron imidazolate framework (BIF) synthesis using mechanochemistry Chemical Science, 2021 |
| 1566997 | CIF | C23 H26 N2 O S | P 1 n 1 | 7.7413; 10.5757; 25.507 90; 98.727; 90 | 2064.1 | Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M. Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds. Chemical science, 2022, 13, 6567-6572 |
| 1568697 | CIF | C7 H7 N5 | P 1 n 1 | 8.2666; 5.6858; 15.5021 90; 91.087; 90 | 728.5 | Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains. Materials horizons, 2023, 10, 2149-2159 |
| 1569086 | CIF Paper | C13 H16 N2 O5 | P 1 n 1 | 5.7044; 9.9485; 11.7687 90; 90.321; 90 | 667.87 | Naeem, Marilyn; Anas, Nicholas A.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. N-Methylserotonin hydrogen oxalate IUCrData, 2023, 8, x230378 |
| 1569199 | CIF | C22 H19 Br O3 | P 1 n 1 | 10.612; 13.2639; 13.3533 90; 104.195; 90 | 1822.2 | Guin, Avishek; Bhattacharjee, Subrata; Harariya, Mahesh Singh; Biju, Akkattu T. Lewis acid-catalyzed diastereoselective carbofunctionalization of bicyclobutanes employing naphthols. Chemical science, 2023, 14, 6585-6591 |
| 1569316 | CIF | C20 H17 Cl2 N4 Sb | P 1 n 1 | 9.8444; 7.4353; 14.6876 90; 106.385; 90 | 1031.41 | García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers. Chemical science, 2023, 14, 6522-6530 |
| 1570317 | CIF | C53 H77 F3 Ge O7 P2 S | P 1 n 1 | 13.481; 9.414; 21.087 90; 96.178; 90 | 2660.6 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1571316 | CIF | C182 H230 N12 O31 | P 1 n 1 | 20.2715; 42.387; 25.285 90; 91.715; 90 | 21716.4 | Andrews, Keith G.; Horton, Peter N.; Coles, Simon J. Programmable synthesis of organic cages with reduced symmetry. Chemical science, 2024, 15, 6536-6543 |
| 1571921 | CIF | C47 H34 Cl2 N4 O | P 1 n 1 | 12.9051; 10.5743; 25.9985 90; 95.55; 90 | 3531.2 | Li, Ranran; Ma, Bin; Li, Meng; Wang, Dan; Liu, Peng; An, Peng Multi-heteroatom doped nanographenes: enhancing photosensitization capacity by forming an electron donor-acceptor architecture. Chemical science, 2024, 15, 11408-11417 |
| 1571967 | CIF | C29 H25 F7 N2 O4 S2 | P 1 n 1 | 18.8892; 5.716; 27.6517 90; 107.953; 90 | 2840.2 | Chen, Jia-Wei; Ji, Wen-Jun; Huang, Xue-Ying; Ge, Danhua; Shen, Zhi-Liang; Guo, Kai; Chu, Xue-Qiang Chemo-, regio-, and stereoselective tetrafunctionalization of fluoroalkynes enables divergent synthesis of 5-7-membered azacycles. Chemical science, 2024, 15, 12026-12035 |
| 1571970 | CIF | C33 H15 Fe5 O14 P | P 1 n 1 | 9.5978; 11.8597; 14.5875 90; 90.663; 90 | 1660.34 | Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J. Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>. Chemical science, 2024, 15, 11455-11471 |
| 1572762 | CIF | C27 H32.82 N6 O9 Sc | P 1 n 1 | 7.9195; 11.7007; 14.6519 90; 98.998; 90 | 1341 | Kelderman, Cormac A. A.; Glaser, Owen M.; Whetter, Jennifer N.; Aluicio-Sarduy, Eduardo; Mixdorf, Jason C.; Sanders, Kyana M.; Guzei, Ilia A.; Barnhart, Todd E.; Engle, Jonathan W.; Boros, Eszter Charting the coordinative landscape of the <sup>18</sup>F-Sc/<sup>44</sup>Sc/<sup>177</sup>Lu triad with the tri-aza-cyclononane (tacn) scaffold. Chemical science, 2024, 15, 17927-17936 |
| 1573232 | CIF | C9 H5 As S2 | P 1 n 1 | 6.1248; 11.3296; 12.9122 90; 95.535; 90 | 891.82 | Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science, 2025, 16, 1126-1135 |
| 1573811 | CIF | C39 H29 In N2 O6 S6 | P 1 n 1 | 10.9278; 9.492; 19.0268 90; 97.401; 90 | 1957.14 | Pratap, Rajesh; Sahani, Raj Kumar; Maddeshiya, Tarkeshwar; Tripathi, Himanshu Shekhar; Pandey, Mrituanjay D.; Bhattacharya, Subrato Synthesis and characterization of In(III) <i>S</i>-thiobenzoylthioglycolate complexes and their catalytic applications in CO<sub>2</sub> fixation and multicomponent synthetic reactions. Dalton transactions (Cambridge, England : 2003), 2025, 54, 4518-4529 |
| 1574218 | CIF | C66 H54 N2 O2 | P 1 n 1 | 17.9514; 7.1173; 18.5132 90; 97.763; 90 | 2343.7 | Chen, Xu-Lang; Yu, Si-Qian; Zheng, Zi-You; Cheng, Zhao-Yi; Chen, An-Na; Liang, Jia-Qi; Sun, Xin; Zheng, Chunyang; Huang, Xiaohuan; Gong, Han-Yuan Adaptive nitrogen-containing buckybowl: a versatile receptor for curved and planar aromatic molecules Chemical Science, 2025, 16, 7537-7543 |
| 1575237 | CIF | C19 H15 Br O | P 1 n 1 | 9.7011; 12.6871; 12.0065 90; 91.03; 90 | 1477.51 | Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers. Chemical science, 2025, 16, 15964-15976 |
| 1575674 | CIF | C4 H10 B I5 S Si | P 1 n 1 | 7.2014; 10.4366; 10.9255 90; 91.266; 90 | 820.94 | Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration. Chemical science, 2025, 16, 20329-20343 |
| 1575971 | CIF | C54 H44 Cu2 F6 N8 O6 S2 | P 1 n 1 | 11.8459; 19.8379; 11.8919 90; 117.494; 90 | 2478.95 | Takeyama, Tomoyuki; Shirabe, Daisuke; Hamamoto, Nobutsugu; Ohta, Takehiro Complexation-Induced Reduction of CuII to CuI Promoted by a Distorted Tetrahedral N4-Type Schiff-Base Ligand Inorganics, 2025, 13, 327 |
| 2000114 | CIF | C16 H90 Cd2 Mo12 N4 O72 P8 | P 1 n 1 | 15.123; 12.305; 19.264 90; 98.62; 90 | 3544.32 | Leclaire, A.; Guesdon, A.; Berrah, F.; Borel, M. M.; Raveau, B. Four New Mo(V) Phosphate Structures Built up of Isotypic Mo~12~MP~8~X~62~ Clusters Journal of Solid State Chemistry, 1999, 145, 291-301 |
| 2000377 | CIF Paper | C27 H33 O9 P | P 1 n 1 | 8.0903; 24.865; 13.442 90; 96.79; 90 | 2685.1 | Nemeth, G.; Pinkerton, A. A.; Stowe, J. A.; Ogle, C. A. Structure of tris(2,4,6-trimethoxyphenyl)phosphine. Resolution of space-group ambiguity by solid-state NMR Acta Crystallographica Section C, 1992, 48, 2200-2203 |
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