Information card for entry 7027404

Structure parameters

• Formula: C28 H44 I2 O7 P2 W
• Calculated formula: C28 H50 I2 O7 P2 W
• SMILES: [W]1(I)(I)([P](OC(C)C)(OC(C)C)OC(C)C)([P](OC(C)C)(OC(C)C)OC(C)C)(C#[O])C(=C1C)c1ccccc1
• 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: 12.498 ± 0.014 Å
• b: 16.916 ± 0.017 Å
• c: 18.95 ± 0.02 Å
• α: 90°
• β: 97.944 ± 0.01°
• γ: 90°
• Cell volume: 3968 ± 7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1761
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2215
• Weighted residual factors for all reflections included in the refinement: 0.2621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No