Information card for entry 4073303

Structure parameters

• Formula: C40 H54 B4 Cd N4
• Calculated formula: C40 H54 B4 Cd N4
• SMILES: [Cd](C1(C)B(N(N(C(C)C)B1c1ccccc1)C(C)C)c1ccccc1)C1(C)B(N(N(C(C)C)B1c1ccccc1)C(C)C)c1ccccc1
• 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: 10.94 ± 0.003 Å
• b: 12.001 ± 0.004 Å
• c: 16.987 ± 0.005 Å
• α: 76.011 ± 0.016°
• β: 80.947 ± 0.016°
• γ: 66.866 ± 0.016°
• Cell volume: 1985.2 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No