Information card for entry 7020519

Structure parameters

• Formula: C18 H19 Mo2 O4 P Si
• Calculated formula: C18 H19 Mo2 O4 P Si
• SMILES: [P]12=[C]([Si](C)(C)C)([Mo]34561([cH]1[cH]3[cH]6[cH]5[cH]41)(C#[O])C#[O])[Mo]13452([cH]2[cH]3[cH]5[cH]4[cH]12)(C#[O])C#[O]
• Title of publication: Coordination chemistry of trimethylsilylphosphaalkyne: a phosphaalkyne bearing a reactive substituent.
• Authors of publication: Mansell, Stephen M.; Green, Michael; Russell, Christopher A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 47
• Pages of publication: 14360 - 14368
• a: 15.3831 ± 0.0003 Å
• b: 8.4729 ± 0.0002 Å
• c: 15.5429 ± 0.0003 Å
• α: 90°
• β: 91.152 ± 0.001°
• γ: 90°
• Cell volume: 2025.44 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.268
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No