Information card for entry 4322174

Structure parameters

• Formula: C43 H48 Cd O3 P2 S2 Si2
• Calculated formula: C43 H48 Cd O3 P2 S2 Si2
• SMILES: [CdH]12(Sc3c([Si](C)(C)C)cccc3P(=[O]1)(c1ccccc1)c1ccccc1)(Sc1c([Si](C)(C)C)cccc1P(=[O]2)(c1ccccc1)c1ccccc1)[OH]C
• Title of publication: Synthesis and Characterization of Zinc and Cadmium Compounds with Arenephosphinothiol Ligands. Crystal and Molecular Structures of [Cd2{2-(Ph2PO)C6H4S}4], [Zn{2-(Ph2P)-6-(Me3Si)C6H3S}2], [Cd{2-(Ph2PO)-6-(Me3Si)C6H3S}2(CH3OH)], and [Zn{PhPO(C6H4S-2)2}(bipy)]
• Authors of publication: Paulo Pérez-Lourido; Jaime Romero; José A. García-Vázquez; Antonio Sousa; Kevin P. Maresca; Jon Zubieta
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3709 - 3715
• a: 12.1237 ± 0.0004 Å
• b: 14.0586 ± 0.0004 Å
• c: 15.0938 ± 0.0002 Å
• α: 70.836 ± 0.002°
• β: 83.41 ± 0.002°
• γ: 65.397 ± 0.002°
• Cell volume: 2208.72 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections: 0.1553
• Weighted residual factors for significantly intense reflections: 0.143
• Goodness-of-fit parameter for all reflections: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No