Information card for entry 2011601

Structure parameters

• Chemical name: cis-Tetracarbonyl[bis(tricyclohexylphosphine)]molybdenum(0)
• Formula: C40 H66 Mo O4 P2
• Calculated formula: C40 H66 Mo O4 P2
• SMILES: [Mo]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: <i>cis</i>-Tetracarbonylbis(tricyclohexylphosphine)molybdenum(0) and pentacarbonyl(tricyclohexylphosphine)molybdenum(0)
• Authors of publication: Cortes-Figueroa, Jose E.; Leon-Velazquez, Madeline S.; Ramos, Johanna; Jasinski, Jerry P.; Keene, David A.; Zubkowski, Jeffrey D.; Valente, Edward J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1435 - 1437
• a: 10.856 ± 0.003 Å
• b: 25.323 ± 0.008 Å
• c: 14.795 ± 0.007 Å
• α: 90°
• β: 94.68 ± 0.03°
• γ: 90°
• Cell volume: 4054 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.127
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes