Information card for entry 4082695

Structure parameters

• Formula: C75 H88 Cl6 Mo4 O6 P2
• Calculated formula: C75 H88 Cl6 Mo4 O6 P2
• Title of publication: Reactions of the Carbyne-Bridged Radical Complex [Mo2(η5-C5H5)2(μ-CPh)(μ-PCy2)(μ-CO)]+with Bidentate Ligands Having E‒H Bonds (E = O, S, N)
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; Menéndez, Sonia; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 5
• Pages of publication: 1181
• a: 14.9549 ± 0.0005 Å
• b: 16.6837 ± 0.0005 Å
• c: 18.6223 ± 0.0007 Å
• α: 68.629 ± 0.003°
• β: 70.066 ± 0.003°
• γ: 64.625 ± 0.003°
• Cell volume: 3814 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No