Information card for entry 4073301

Structure parameters

• Formula: C40 H54 B4 N4 Zn
• Calculated formula: C40 H54 B4 N4 Zn
• SMILES: [Zn](C1(C)B(N(N(B1c1ccccc1)C(C)C)C(C)C)c1ccccc1)C1(C)B(N(N(B1c1ccccc1)C(C)C)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: 10.681 ± 0.003 Å
• b: 12.141 ± 0.004 Å
• c: 17.176 ± 0.004 Å
• α: 75.483 ± 0.014°
• β: 80.656 ± 0.015°
• γ: 66.124 ± 0.013°
• Cell volume: 1967 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No