Information card for entry 7006514

Structure parameters

• Formula: C14 H14 Mo N2 O4
• Calculated formula: C14 H14 Mo N2 O4
• SMILES: [Mo]1(C#[O])(C#[O])(C#[O])(C#[O])[n]2ccccc2C=[N]1CC(C)C
• Title of publication: Molybdenum carbonyl complexes with pyridylimino acidato ligands.
• Authors of publication: García-Rodríguez, Raúl; Miguel, Daniel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 9
• Pages of publication: 1218 - 1225
• a: 6.6553 ± 0.0012 Å
• b: 15.676 ± 0.003 Å
• c: 15.454 ± 0.003 Å
• α: 90°
• β: 99.916 ± 0.004°
• γ: 90°
• Cell volume: 1588.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No