Information card for entry 2008174

Structure parameters

• Chemical name: Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]molybdenum(0)
• Formula: C14 H27 Mo O3 P3
• Calculated formula: C14 H27 Mo O3 P3
• SMILES: [Mo]12([P](CC(C)(C[P]1(C)C)C[P]2(C)C)(C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]chromium(0), -molybdenum(0) and -tungsten(0) complexes
• Authors of publication: Suzuki, Takayoshi; Imamura, Takeshi; Kaizaki, Sumio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 182 - 186
• a: 8.601 ± 0.002 Å
• b: 16.324 ± 0.004 Å
• c: 14.422 ± 0.002 Å
• α: 90°
• β: 96.59 ± 0.02°
• γ: 90°
• Cell volume: 2011.5 ± 0.7 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.746
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No