Information card for entry 4322175

Structure parameters

• Formula: C29 H22 Cl3 N2 O P S2 Zn
• Calculated formula: C29 H22 Cl3 N2 O P S2 Zn
• SMILES: [Zn]123(Sc4ccccc4P(=[O]2)(c2ccccc2)c2c(S1)cccc2)[n]1ccccc1c1[n]3cccc1.C(Cl)(Cl)Cl
• 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: 8.9556 ± 0.0003 Å
• b: 12.7911 ± 0.0004 Å
• c: 14.0598 ± 0.0005 Å
• α: 82.671 ± 0.001°
• β: 73.14 ± 0.001°
• γ: 74.113 ± 0.001°
• Cell volume: 1480.44 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections: 0.1322
• Weighted residual factors for significantly intense reflections: 0.1262
• Goodness-of-fit parameter for all reflections: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No