Information card for entry 4064207

Structure parameters

• Formula: C31 H37 Mo2 O2 P
• Calculated formula: C31 H37 Mo2 O2 P
• Title of publication: Binuclear Carbyne and Ketenyl Derivatives of the Alkyl-Bridged Complexes [Mo2(η5-C5H5)2(μ-CH2R)(μ-PCy2)(CO)2] (R = H, Ph)
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Martínez, M. Eugenia; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2189
• a: 9.9779 ± 0.0003 Å
• b: 9.9779 ± 0.0003 Å
• c: 28.4996 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2837.38 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No