Information card for entry 4125466

Structure parameters

• Formula: C65.5 H60 B F24 Mo N3 O P2
• Calculated formula: C65.5 H60 B F24 Mo N3 O P2
• Title of publication: Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo-NH3 Complex.
• Authors of publication: Bhattacharya, Papri; Heiden, Zachariah M.; Wiedner, Eric S.; Raugei, Simone; Piro, Nicholas A.; Kassel, W. Scott; Bullock, R. Morris; Mock, Michael T.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 8
• Pages of publication: 2916 - 2919
• a: 13.1536 ± 0.0009 Å
• b: 13.9867 ± 0.0009 Å
• c: 19.6553 ± 0.0011 Å
• α: 103.578 ± 0.0018°
• β: 107.187 ± 0.0019°
• γ: 95.011 ± 0.002°
• Cell volume: 3309.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0713
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No