Information card for entry 2008052

Structure parameters

• Formula: C17 H12 Mo N2 O4
• Calculated formula: C17 H12 Mo N2 O4
• SMILES: [Mo]1([N](C)=C(c2[n]1cccc2)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Molybdenum‒tetracarbonyl complexes with Schiff base ligands
• Authors of publication: Mentes, Ayfer; Fawcett, John; Kemmitt, Raymond D. W.; Russell, David R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 48 - 50
• a: 11.529 ± 0.002 Å
• b: 11.879 ± 0.001 Å
• c: 12.661 ± 0.004 Å
• α: 90°
• β: 96.21 ± 0.01°
• γ: 90°
• Cell volume: 1723.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.077
• Goodness-of-fit parameter for all reflections: 1.096
• Goodness-of-fit parameter for significantly intense reflections: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No