Information card for entry 4321819

Structure parameters

• Formula: C54 H42 In P3 S3
• Calculated formula: C54 H42 In P3 S3
• SMILES: [In]123(Sc4ccccc4[P]1(c1ccccc1)c1ccccc1)(Sc1ccccc1[P]2(c1ccccc1)c1ccccc1)Sc1ccccc1[P]3(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Characterization of Indium Compounds with Phosphinothiol Ligands. The Crystal and Molecular Structures of [In{2-(Ph2P)C6H4S}3], [In{2-(Ph2P)-6-(Me3Si)C6H3S}2{2-(Ph2PO)-6-(Me3Si)C6H3S}], and [NMe4][In{PhP(C6H4S-2)2}2].CH3CN
• Authors of publication: Paulo Pérez-Lourido; Jaime Romero; José Arturo García-Vázquez; Antonio Sousa; Kevin Maresca; Jon Zubieta
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1293 - 1298
• a: 16.6579 ± 0.0001 Å
• b: 12.6628 ± 0.0002 Å
• c: 22.552 ± 0.0003 Å
• α: 90°
• β: 96.42 ± 0.01°
• γ: 90°
• Cell volume: 4727.19 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections: 0.1522
• Weighted residual factors for significantly intense reflections: 0.1392
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No