Information card for entry 2204538

Structure parameters

• Chemical name: Tricarbonyl(3-carboxypropyl)(η^5^-cyclopentadienyl)tungsten(II)
• Formula: C12 H12 O5 W
• Calculated formula: C12 H12 O5 W
• SMILES: [W]1234(C#[O])(C#[O])(C#[O])(CCCC(=O)O)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Tricarbonyl(3-carboxypropyl)(η^5^-cyclopentadienyl)tungsten(II)
• Authors of publication: Friedrich, Holger B.; Howie, R. Alan; Onani, Martin O.
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1641 - 1643
• a: 14.265 ± 0.002 Å
• b: 8.154 ± 0.0011 Å
• c: 11.229 ± 0.002 Å
• α: 90°
• β: 102.8 ± 0.015°
• γ: 90°
• Cell volume: 1273.7 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0294
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No