Information card for entry 4062571

Structure parameters

• Common name: (dimethylsilyl)(dimethylbromosilyl)niobocene hydrid
• Chemical name: bis(cyclopentadienyl)(dimethylsilyl) (dimethylbromosilyl)(hydrido) niobium (V)
• Formula: C14 H24 Br Nb Si2
• Calculated formula: C14 H23 Br Nb Si2
• Title of publication: Neutron and X-ray Diffraction Studies and DFT Calculations of Asymmetric Bis(silyl) Niobocene Hydrides
• Authors of publication: Dorogov, Konstantin Yu.; Dumont, Elise; Ho, Nam-Nhat; Churakov, Andrei V.; Kuzmina, Lyudmila G.; Poblet, Josep-Maria; Schultz, Arthur J.; Howard, Judith A. K.; Bau, Robert; Lledos, Agusti; Nikonov, Georgii I.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 12
• Pages of publication: 2845 - 2847
• a: 14.9449 ± 0.0005 Å
• b: 8.933 ± 0.0003 Å
• c: 26.0528 ± 0.0009 Å
• α: 90°
• β: 99.408 ± 0.002°
• γ: 90°
• Cell volume: 3431.3 ± 0.2 ų
• Cell temperature: 83 ± 2 K
• Ambient diffraction temperature: 83 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections: 1.43
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No