Information card for entry 7013015

Structure parameters

• Formula: C58 H82 Br2 Mg2 N4
• Calculated formula: C58 H82 Br2 Mg2 N4
• SMILES: [Br]1[Mg]2([N](c3c(C(C)C)cccc3C(C)C)=C(C=C(C)N2c2c(C(C)C)cccc2C(C)C)C)[Br][Mg]21[N](=C(C=C(C)N2c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Low coordinate magnesium chemistry supported by a bulky ?-diketiminate ligand
• Authors of publication: Dove, Andrew P.; Gibson, Vernon C.; Hormnirun, Pimpa; Marshall, Edward L.; Segal, John A.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 3088
• a: 22.9835 ± 0.0011 Å
• b: 15.0629 ± 0.0005 Å
• c: 16.4637 ± 0.0004 Å
• α: 90°
• β: 90.497 ± 0.003°
• γ: 90°
• Cell volume: 5699.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.0742
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No