Information card for entry 2008051

Structure parameters

• Formula: C12 H10 Mo N2 O4
• Calculated formula: C12 H10 Mo N2 O4
• SMILES: [Mo]1([N](=C(C)c2[n]1cccc2)C)(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: 8.951 ± 0.002 Å
• b: 12.802 ± 0.002 Å
• c: 12.879 ± 0.002 Å
• α: 107.62 ± 0.01°
• β: 104.61 ± 0.01°
• γ: 90.31 ± 0.01°
• Cell volume: 1355.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.079
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No