Information card for entry 2215664

Structure parameters

• Chemical name: Dicarbonyl-bis(1,10-phenanthroline)molybdenum(0)
• Formula: C26 H16 Mo N4 O2
• Calculated formula: C26 H16 Mo N4 O2
• SMILES: [Mo]12(C#[O])(C#[O])([n]3cccc4c3c3c(cc4)ccc[n]13)[n]1cccc3c1c1c(cc3)ccc[n]21
• Title of publication: Dicarbonyl-bis(1,10-phenanthroline)molybdenum(0)
• 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: 10
• Pages of publication: m2491 - m2491
• a: 9.7031 ± 0.0006 Å
• b: 14.5684 ± 0.001 Å
• c: 14.7006 ± 0.0009 Å
• α: 90°
• β: 101.142 ± 0.002°
• γ: 90°
• Cell volume: 2038.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0948
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes