Information card for entry 7006513

Structure parameters

• Formula: C18 H21 Mo N3 O6
• Calculated formula: C18 H21 Mo N3 O6
• SMILES: [Mo]1([n]2ccccc2C=[N]1[C@H](C(=O)[O-])C)(C#[O])(C#[O])(C#[O])C#[O].[NH2+]1CCCCC1
• 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: 9.094 ± 0.003 Å
• b: 10.836 ± 0.003 Å
• c: 12.111 ± 0.004 Å
• α: 91.259 ± 0.005°
• β: 109.767 ± 0.005°
• γ: 109.143 ± 0.004°
• Cell volume: 1049.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No