Information card for entry 2204894

Structure parameters

• Chemical name: Tricarbonyl(η^5^-cyclopentadienyl)(3-iodopropyl)tungsten(II)
• Formula: C11 H11 I O3 W
• Calculated formula: C11 H11 I O3 W
• SMILES: C(#[O])[W]1234(C#[O])(CCCI)([cH]5[cH]1[cH]4[cH]2[cH]35)C#[O]
• Title of publication: Tricarbonyl(η^5^-cyclopentadienyl)(3-iodopropyl)tungsten(II)
• Authors of publication: Holger B. Friedrich; Martin O. Onani; Melanie Rademeyer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m144 - m146
• a: 14.509 ± 0.005 Å
• b: 6.9285 ± 0.0019 Å
• c: 12.806 ± 0.003 Å
• α: 90°
• β: 95.62 ± 0.04°
• γ: 90°
• Cell volume: 1281.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes