Information card for entry 4076719

Structure parameters

• Formula: C24 H22 Mo N2 O7
• Calculated formula: C24 H22 Mo N2 O7
• SMILES: [Mo]123([n]4cccc5c4c4[n]1cccc4cc5)(C#[O])(C#[O])([CH2]=[CH]2C3)/C(=C(\OC)C(=O)OC)C(=O)OC
• Title of publication: Reactive Alkoxide Complexes of Groups 6 and 7 Metals
• Authors of publication: Hevia, Eva; Pérez, Julio; Riera, Lucía; Riera, Víctor; Miguel, Daniel
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 9
• Pages of publication: 1750
• a: 10.198 ± 0.002 Å
• b: 10.487 ± 0.003 Å
• c: 13.233 ± 0.003 Å
• α: 74.658 ± 0.004°
• β: 73.658 ± 0.004°
• γ: 63.303 ± 0.004°
• Cell volume: 1197.4 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No