Information card for entry 4071007

Structure parameters

• Formula: C25 H35 Mo2 O2 P Se3
• Calculated formula: C25 H35 Mo2 O2 P Se3
• SMILES: C12(C(=O)[Se]3[Mo]4567891([cH]1[cH]4[cH]5[cH]6[cH]71)[Mo]145623([cH]2[cH]6[cH]5[cH]4[cH]12)([P]8(C1CCCCC1)C1CCCCC1)[Se][Se]9)OC
• Title of publication: Multisite Reactivity of the Unsaturated Methoxycarbyne Complex [Mo2(η5-C5H5)2(µ-COMe)(µ-PCy2)(µ-CO)]
• Authors of publication: García-Vivó, Daniel; García, M. Esther; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 169
• a: 23.367 ± 0.002 Å
• b: 23.367 ± 0.002 Å
• c: 9.183 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4342.3 ± 1.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No