Information card for entry 4346439

Structure parameters

• Formula: C66 H63 B F24 Mo2 O2 P2 S
• Calculated formula: C66 H63 B F24 Mo2 O2 P2 S
• Title of publication: Electronic Structure and Multisite Basicity of the Pyramidal Phosphinidene-Bridged Dimolybdenum Complex [Mo2(η(5)-C5H5)(μ-κ(1):κ(1),η(5)-PC5H4)(η(6)-C6H3(t)Bu3)(CO)2(PMe3)].
• Authors of publication: Albuerne, Isabel G.; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 9810 - 9820
• a: 13.8776 ± 0.0003 Å
• b: 14.1536 ± 0.0005 Å
• c: 19.0721 ± 0.0006 Å
• α: 105.993 ± 0.003°
• β: 96.91 ± 0.002°
• γ: 99.567 ± 0.002°
• Cell volume: 3496.09 ± 0.19 ų
• Cell temperature: 149.9 ± 0.4 K
• Ambient diffraction temperature: 149.9 ± 0.4 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2345
• Weighted residual factors for all reflections included in the refinement: 0.2473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No