Information card for entry 7110739

Structure parameters

• Formula: C28 H23 Mo2 O4 P
• Calculated formula: C28 H23 Mo2 O4 P
• SMILES: [Mo]12345(C#[O])(C#[O])([cH]6[cH]1[cH]2[cH]3[cH]46)[CH]([P]([Mo]1234(C#[O])(C#[O])[cH]6[cH]1[cH]2[cH]3[cH]46)(c1ccccc1)c1ccccc1)=[CH2]5
• Title of publication: Reactivity of acryloyl chloride towards the anion [Cp2(CO)4Mo2(μ-PPhH)]−; synthesis of an unusual phosphaalkene
• Authors of publication: Davies, John E.; Mays, Martin J.; Raithby, Paul R.; Woods, Anthony D.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 2455
• a: 8.304 ± 0.001 Å
• b: 9.978 ± 0.001 Å
• c: 16.024 ± 0.001 Å
• α: 94.19 ± 0.01°
• β: 102.92 ± 0.01°
• γ: 106.26 ± 0.01°
• Cell volume: 1229.2 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No