Information card for entry 2004103

Structure parameters

• Chemical name: fac-Tricarbonyl-tris(triphenyl phospite)molybdenum
• Formula: C57 H45 Mo O12 P3
• Calculated formula: C57 H45 Mo O12 P3
• SMILES: [Mo]([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: <i>fac</i>-Tricarbonyltris(triphenyl phosphite)molybdenum(0)
• Authors of publication: Alyea, E. C.; Ferguson, G.; Song, S.-Q.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2238 - 2242
• a: 11.991 ± 0.005 Å
• b: 20.666 ± 0.002 Å
• c: 24.082 ± 0.004 Å
• α: 67.616 ± 0.01°
• β: 77.54 ± 0.02°
• γ: 87.58 ± 0.02°
• Cell volume: 5383 ± 3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 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: 0.2479
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections: 0.22
• Weighted residual factors for significantly intense reflections: 0.1694
• Goodness-of-fit parameter for all reflections: 0.808
• Goodness-of-fit parameter for significantly intense reflections: 1.154
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No