Information card for entry 4073305

Structure parameters

• Formula: C21.25 H30 B2 Cl3 N2 Si
• Calculated formula: C21.25 H27 B2 Cl3 N2 Si
• 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: 6.755 ± 0.006 Å
• b: 19.491 ± 0.009 Å
• c: 20.603 ± 0.01 Å
• α: 90°
• β: 93.47 ± 0.04°
• γ: 90°
• Cell volume: 2708 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1196
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No