Information card for entry 4080852

Structure parameters

• Common name: 1664 [Mo(PNP-Ph)(CO)3H]BF4 (7a)
• Chemical name: [Mo(PNP-Ph)(CO)3H]BF4 (7a)
• Formula: C32 H26 B F4 Mo N3 O3 P2
• Calculated formula: C32 H26 B F4 Mo N3 O3 P2
• Title of publication: Synthesis and Characterization of Hydrido Carbonyl Molybdenum and Tungsten PNP Pincer Complexes.
• Authors of publication: Oztopcu, Ozgür; Holzhacker, Christian; Puchberger, Michael; Weil, Matthias; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 3042 - 3052
• a: 17.4696 ± 0.0005 Å
• b: 15.529 ± 0.0004 Å
• c: 23.394 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6346.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No