Information card for entry 7027115

Structure parameters

• Formula: C11 H23 B F4 Mo O P2
• Calculated formula: C11 H23 B F4 Mo O P2
• Title of publication: Formation of organometallic hydroxo and oxo complexes by oxidation of transition metal hydrides in the presence of water. X-Ray structures of [CpMo(OH)(PMe3)3][BF4] and [CpMo(O)(PMe3)2][BF4]
• Authors of publication: Fettinger, James C.; Kraatz, Heinz-Bernhard; Poli, Rinaldo; Quadrelli, E. Alessandra
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 3
• Pages of publication: 497
• a: 17.289 ± 0.016 Å
• b: 15.201 ± 0.002 Å
• c: 6.6459 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1746.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 40
• Hermann-Mauguin space group symbol: A m a 2
• Hall space group symbol: A 2 -2a
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.0715
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No