Information card for entry 2215581

Structure parameters

• Chemical name: Tricarbonyl-1,10-phenanthroline(triphenylphosphine)molybdenum(0)
• Formula: C33 H23 Mo N2 O3 P
• Calculated formula: C33 H23 Mo N2 O3 P
• SMILES: [Mo]1(C#[O])(C#[O])(C#[O])([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c3c4c(ccc[n]14)ccc3ccc2
• Title of publication: Tricarbonyl-1,10-phenanthroline(triphenylphosphine)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: m2492 - m2492
• a: 8.5179 ± 0.0004 Å
• b: 9.6376 ± 0.0004 Å
• c: 18.4119 ± 0.0007 Å
• α: 77.78 ± 0.001°
• β: 87.979 ± 0.001°
• γ: 70.723 ± 0.001°
• Cell volume: 1393.42 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes