Information card for entry 7027113

Structure parameters

• Formula: C14 H33 B F4 Mo O P3
• Calculated formula: C14 H33 B F4 Mo O P3
• 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: 20.525 ± 0.005 Å
• b: 13.38 ± 0.004 Å
• c: 7.974 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2189.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No