Information card for entry 2216624

Structure parameters

• Chemical name: (2,2'-Bipyridyl)tricarbonyl(di-2-pyridylamine)molybdenum(0)
• Formula: C23 H17 Mo N5 O3
• Calculated formula: C23 H17 Mo N5 O3
• SMILES: [Mo]1(C#[O])(C#[O])(C#[O])([n]2ccccc2c2cccc[n]12)[n]1ccccc1Nc1ccccn1
• Title of publication: (2,2'-Bipyridyl)tricarbonyl(di-2-pyridylamine)molybdenum(0) revisited
• Authors of publication: Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2918 - m2918
• a: 10.6273 ± 0.0004 Å
• b: 12.9092 ± 0.0005 Å
• c: 16.5581 ± 0.0007 Å
• α: 90°
• β: 107.728 ± 0.001°
• γ: 90°
• Cell volume: 2163.73 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes