Information card for entry 4322173

Structure parameters

• Formula: C46 H50 N2 P2 S2 Si2 Zn
• Calculated formula: C46 H50 N2 P2 S2 Si2 Zn
• SMILES: N#CC.[P]1(c2c(S[Zn]31[P](c1c(S3)c(ccc1)[Si](C)(C)C)(c1ccccc1)c1ccccc1)c(ccc2)[Si](C)(C)C)(c1ccccc1)c1ccccc1.N#CC
• 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: 21.332 ± 0.004 Å
• b: 9.391 ± 0.002 Å
• c: 25.938 ± 0.005 Å
• α: 90°
• β: 113.84 ± 0.03°
• γ: 90°
• Cell volume: 4753 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.0949
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No