Information card for entry 7009809

Structure parameters

• Formula: C27 H25 Mo O7 P
• Calculated formula: C27 H25 Mo O7 P
• SMILES: [Mo]1234([P](c5ccccc5)(c5ccccc5)/C(=C/C(=O)OC)C(=O)OC)(C#[O])(C#[O])([cH]5[cH]1[cH]2[cH]3[cH]45)C(=O)C
• Title of publication: Deprotonation of [Mo(COMe)(CO)2(PPh2H)(η-C5H5)] and reaction with activated alkynes: controllable formation of vinylphosphine and η3-acryloyl ligands
• Authors of publication: Adams, Harry; Bailey, Neil A.; Blenkiron, Peter; Morris, Michael J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 18
• Pages of publication: 3074
• a: 8.612 ± 0.003 Å
• b: 10.792 ± 0.005 Å
• c: 14.717 ± 0.007 Å
• α: 89.33 ± 0.04°
• β: 78.15 ± 0.04°
• γ: 76.6 ± 0.04°
• Cell volume: 1301.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No