Information card for entry 7012061

Structure parameters

• Common name: [Mo(NtBu)2(OCHMes2)2]
• Formula: C46 H64 Mo N2 O2
• Calculated formula: C46 H64 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: 19.4544 ± 0.0003 Å
• b: 11.2123 ± 0.0002 Å
• c: 19.7023 ± 0.0003 Å
• α: 90°
• β: 94.658 ± 0.002°
• γ: 90°
• Cell volume: 4283.44 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No