Information card for entry 7044542

Structure parameters

• Formula: C27 H21 N2 O7 P W3
• Calculated formula: C27 H21 N2 O7 P W3
• SMILES: [W]12345([P](c6ccccc6)(c6ccccc6)[W]6789([H]1[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(N=O)[cH]1[cH]8[cH]9[cH]6[cH]71)(N=O)[cH]1[cH]3[cH]4[cH]5[cH]21
• 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: 9.0754 ± 0.0005 Å
• b: 10.9594 ± 0.0006 Å
• c: 14.9036 ± 0.0006 Å
• α: 102.888 ± 0.004°
• β: 93.925 ± 0.004°
• γ: 94.326 ± 0.005°
• Cell volume: 1435.31 ± 0.13 ų
• Cell temperature: 155 ± 4 K
• Ambient diffraction temperature: 155 ± 4 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2401
• Weighted residual factors for all reflections included in the refinement: 0.2649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No