Information card for entry 7012060

Structure parameters

• Common name: [Mo(OBMes2)2(NC6H3iPr2)2]
• Formula: C60 H78 B2 Mo N2 O2
• Calculated formula: C60 H78 B2 Mo N2 O2
• Title of publication: Transition-metal imido-boroxide complexes: a structural and spectroscopic investigation of the influence of boron
• Authors of publication: Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4168
• a: 13.2134 ± 0.0004 Å
• b: 19.0999 ± 0.0005 Å
• c: 44.5065 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11232.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Residual factor for all reflections: 0.1613
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No