Information card for entry 7044544

Structure parameters

• Formula: C26 H20 Co N2 O6 P W2
• Calculated formula: C26 H20 Co N2 O6 P W2
• SMILES: [W]123456([P](c7ccccc7)(c7ccccc7)[W]789%10%11([Co]1(C3=O)(C8=O)(C#[O])C#[O])(N=O)[cH]1[cH]9[cH]%10[cH]%11[cH]71)(N=O)[cH]1[cH]4[cH]5[cH]6[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: 9.2375 ± 0.0004 Å
• b: 9.7923 ± 0.0004 Å
• c: 15.4405 ± 0.0006 Å
• α: 72.621 ± 0.004°
• β: 88.18 ± 0.003°
• γ: 83.018 ± 0.003°
• Cell volume: 1323.03 ± 0.1 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 152 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No