Information card for entry 7027400

Structure parameters

• Formula: C11 H24 I2 Mo O7 P2
• Calculated formula: C11 H24 I2 Mo O7 P2
• SMILES: [Mo]1(C(=C1C)C)(C#[O])(I)(I)([P](OC)(OC)OC)[P](OC)(OC)OC
• Title of publication: Synthesis, molecular structures, fluxional properties and catalytic activity of a series of alkyne complexes of molybdenum(II) and tungsten(II) containing phosphite donor ligands
• Authors of publication: Baker, Paul K.; Drew, Michael G. B.; Evans, Deborah S.; Johans, Archie W.; Meehan, Margaret M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 2541
• a: 20.52 ± 0.02 Å
• b: 15.4 ± 0.017 Å
• c: 14.286 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4514 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No