Information card for entry 7044541

Structure parameters

• Formula: C26 H21 Fe N2 O6 P W2
• Calculated formula: C26 H21 Fe N2 O6 P W2
• SMILES: [W]12345([P](c6ccccc6)(c6ccccc6)[W]6789([Fe](C#[O])(C#[O])(C#[O])(C#[O])[H]1)(N=O)[cH]1[cH]6[cH]7[cH]9[cH]81)(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: 9.0165 ± 0.0006 Å
• b: 10.2932 ± 0.0008 Å
• c: 15.2472 ± 0.001 Å
• α: 72.022 ± 0.006°
• β: 86.303 ± 0.005°
• γ: 82.979 ± 0.006°
• Cell volume: 1335.35 ± 0.17 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 151 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.238
• Weighted residual factors for all reflections included in the refinement: 0.2461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No