Information card for entry 7006516

Structure parameters

• Formula: C18 H21 Mo N3 O6
• Calculated formula: C18 H21 Mo N3 O6
• SMILES: [Mo]1([n]2ccccc2C=[N]1CCC(=O)[O-])(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: 17.481 ± 0.008 Å
• b: 11.553 ± 0.006 Å
• c: 20.934 ± 0.01 Å
• α: 90°
• β: 98.4 ± 0.02°
• γ: 90°
• Cell volume: 4182 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No