Information card for entry 7027233

Structure parameters

• Formula: C57 H53 B Mo P2 S2
• Calculated formula: C57 H53 B Mo P2 S2
• Title of publication: Half-sandwich molybdenum compounds with phosphine‒alkylthiolate and phosphine‒thioether ligands. Crystal structure of [CpMo(SCH2CH2PPh2)2][BPh4]
• Authors of publication: Morales, Dolores; Poli, Rinaldo; Richard, Philippe; Andrieu, Jacques; Collange, Edmond
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 6
• Pages of publication: 867
• a: 18.943 ± 0.002 Å
• b: 12.397 ± 0.001 Å
• c: 20.508 ± 0.002 Å
• α: 90°
• β: 91.138 ± 0.007°
• γ: 90°
• Cell volume: 4815.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.0736
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No