Information card for entry 7012059

Structure parameters

• Common name: [Zn{N(SiMe3)2}{MesNPPh2CHPPh2NMes}]
• Formula: C44 H62 B2 Mo N2 O2
• Calculated formula: C44 H62 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: 19.0505 ± 0.0006 Å
• b: 27.3517 ± 0.0007 Å
• c: 8.4738 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4415.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No