Information card for entry 2234303

Structure parameters

• Chemical name: Tricarbonylchlorido(η^5^-cyclopentadienyl)molybdenum(II)
• Formula: C8 H5 Cl Mo O3
• Calculated formula: C8 H5 Cl Mo O3
• SMILES: [Mo]1234(Cl)(C#[O])(C#[O])(C#[O])[cH]5[cH]4[cH]3[cH]2[cH]15
• Title of publication: Tricarbonylchlorido(η^5^-cyclopentadienyl)molybdenum(II)
• Authors of publication: Ogweno, Aloice O.; Onani, Martin O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m364
• a: 6.4958 ± 0.0006 Å
• b: 11.7671 ± 0.001 Å
• c: 12.508 ± 0.0011 Å
• α: 90°
• β: 100.064 ± 0.002°
• γ: 90°
• Cell volume: 941.36 ± 0.14 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes