Information card for entry 7027397

Structure parameters

• Formula: C35 H28 I2 Mo N O4 P
• Calculated formula: C35 H28 I2 Mo N O4 P
• SMILES: [Mo]1(I)(I)([P](Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)([C](#[C]1c1ccccc1)c1ccccc1)(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: 10.439 ± 0.012 Å
• b: 11.186 ± 0.014 Å
• c: 16.11 ± 0.017 Å
• α: 89.763 ± 0.01°
• β: 73.927 ± 0.01°
• γ: 77.097 ± 0.01°
• Cell volume: 1759 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.2223
• Weighted residual factors for all reflections included in the refinement: 0.2417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No