Information card for entry 7043850

Structure parameters

• Formula: C25 H20 Mo2 N O4 P
• Calculated formula: C25 H20 Mo2 N O4 P
• SMILES: [Mo]1234([P](c5ccccc5)(c5ccccc5)[Mo]5678(N=O)(C#[O])[cH]9[cH]6[cH]7[cH]8[cH]59)(C#[O])(C#[O])[cH]5[cH]1[cH]4[cH]3[cH]25
• Title of publication: Terminal vs. bridging coordination of CO and NO ligands after decarbonylation of [W2Cp2(μ-PR2)(CO)3(NO)] complexes (R = Ph, Cy). An experimental and computational study
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Rueda, M. Teresa; Ruiz, Miguel A.; Toyos, Adrián; Vega, M. Fernanda
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 17.296 ± 0.003 Å
• b: 16.028 ± 0.005 Å
• c: 8.76 ± 0.002 Å
• α: 90°
• β: 101.46 ± 0.02°
• γ: 90°
• Cell volume: 2380 ± 1 ų
• Cell temperature: 291 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No