Information card for entry 7006512

Structure parameters

• Formula: C14 H12 Mo N2 O6
• Calculated formula: C14 H12 Mo N2 O6
• SMILES: [Mo]1([n]2ccccc2C=[N]1CC(=O)OCC)(C#[O])(C#[O])(C#[O])C#[O]
• 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: 7.311 ± 0.005 Å
• b: 16.795 ± 0.01 Å
• c: 12.823 ± 0.008 Å
• α: 90°
• β: 91.026 ± 0.01°
• γ: 90°
• Cell volume: 1574.3 ± 1.7 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: 0.0419
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No