Information card for entry 7044543

Structure parameters

• Formula: C21 H15 Co N O5 P W
• Calculated formula: C21 H15 Co N O5 P W
• SMILES: [W]12345([Co]([P]1(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(N=O)[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Structure and dynamics of heterometallic clusters derived from addition of metal carbonyl fragments to the unsaturated hydride [W2Cp2(μ-H)(μ-PPh2)(NO)2]
• Authors of publication: Angeles Alvarez, M.; Esther García, M.; García-Vivó, Daniel; Ruiz, Miguel A.; Toyos, Adrián
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.8952 ± 0.0001 Å
• b: 14.2981 ± 0.0001 Å
• c: 16.4401 ± 0.0002 Å
• α: 90°
• β: 93.065 ± 0.001°
• γ: 90°
• Cell volume: 2087.93 ± 0.04 ų
• Cell temperature: 153.9 ± 0.6 K
• Ambient diffraction temperature: 153.9 ± 0.6 K
• Number of distinct elements: 7
• 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: 0.0336
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No