Information card for entry 4073302

Structure parameters

• Formula: C16 H34 B2 Br0.5 Cd0.5 Li0.5 N2 O1.5
• Calculated formula: C16 H34 B2 Br0.5 Cd0.5 Li0.5 N2 O1.5
• Title of publication: Zinc, Cadmium, and Mercury Metallocenes Incorporating 1,2-Diaza-3,5-diborolyl Ligands
• Authors of publication: Ly, Hanh V.; Forster, Taryn D.; Parvez, Masood; McDonald, Robert; Roesler, Roland
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3516
• a: 9.396 ± 0.002 Å
• b: 21.241 ± 0.007 Å
• c: 21.107 ± 0.007 Å
• α: 90°
• β: 96.85 ± 0.02°
• γ: 90°
• Cell volume: 4182 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0538
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No