Information card for entry 2007705

Structure parameters

• Chemical name: {Difluoromethane-bis(diisopropylphosphonite)}tetracarbonylmolybdenum(0)
• Formula: C17 H28 F2 Mo O8 P2
• Calculated formula: C17 H28 F2 Mo O8 P2
• SMILES: [Mo]1([P](OC(C)C)(OC(C)C)C([P]1(OC(C)C)OC(C)C)(F)F)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Tetracarbonyl[difluoromethylenebis(diisopropoxyphosphine-<i>P</i>)]molybdenum(0)
• Authors of publication: Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1447 - 1448
• a: 9.887 ± 0.002 Å
• b: 12.666 ± 0.003 Å
• c: 20.345 ± 0.004 Å
• α: 90°
• β: 102.78 ± 0.02°
• γ: 90°
• Cell volume: 2484.7 ± 0.9 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 6
• 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: 0.038
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No