Information card for entry 2006673

Structure parameters

• Chemical name: Benzylselenolato(η^5^-cyclopentadienyl)(tricarbonyl)molybdenum(II)
• Formula: C15 H12 Mo O3 Se
• Calculated formula: C15 H12 Mo O3 Se
• SMILES: [Mo]([cH]12)([cH]13)([cH]21)([cH]12)([cH]23)(C#[O])(C#[O])(C#[O])[Se]Cc1ccccc1
• Title of publication: Organometallic Selenolates. VII. (Benzylselenolato-<i>Se</i>)tricarbonyl(η^5^-cyclopentadienyl)molybdenum(II) and Bis[1,2(η^5^)-cyclopentadienyl]-di-μ-ethylselenolato-di-μ-selenido-dimolybdenum(IV)(<i>Mo</i>—<i>Mo</i>)
• Authors of publication: Thöne, Carsten; Jones, Peter G.; Laube, Jörg
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1539 - 1542
• a: 9.8918 ± 0.001 Å
• b: 11.6789 ± 0.0012 Å
• c: 12.6536 ± 0.0012 Å
• α: 90°
• β: 95.819 ± 0.008°
• γ: 90°
• Cell volume: 1454.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for all reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0404
• Goodness-of-fit parameter for all reflections: 0.976
• Goodness-of-fit parameter for significantly intense reflections: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No