Information card for entry 4065861

Structure parameters

• Formula: C58.33 H82.66 Cl0.66 Hg N4
• Calculated formula: C58 H82 Hg N4
• SMILES: C(=N\c1c(cccc1C(C)C)C(C)C)(C)/C([Hg]C(C(=N\c1c(cccc1C(C)C)C(C)C)\C)/C(=N/c1c(cccc1C(C)C)C(C)C)C)C(=N\c1c(C(C)C)cccc1C(C)C)\C
• Title of publication: Taking Advantage of Hg−C Bonds: Synthesis of the First Homoleptic Bis-β-diketiminate Complex Bound through the γ-Carbons
• Authors of publication: Ferro, Lorenzo; Coles, Martyn P.; Day, Iain J.; Fulton, J. Robin
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 13
• Pages of publication: 2911
• a: 33.4216 ± 0.001 Å
• b: 33.4216 ± 0.001 Å
• c: 12.6432 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12230.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No