Information card for entry 7027396

Structure parameters

• Formula: C25 H24 I2 Mo N O4 P
• Calculated formula: C25 H24 I2 Mo N O4 P
• SMILES: [Mo]1(I)(I)([P](Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)([C](#[C]1C)C)(C#[O])[N]#CC
• 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: 14.738 ± 0.016 Å
• b: 13.392 ± 0.015 Å
• c: 14.581 ± 0.017 Å
• α: 90°
• β: 92.069 ± 0.01°
• γ: 90°
• Cell volume: 2876 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No