Information card for entry 7013014

Structure parameters

• Formula: C58 H82 Cl2 Mg2 N4
• Calculated formula: C58 H82 Cl2 Mg2 N4
• SMILES: c1(N2[Mg]3([Cl][Mg]4([Cl]3)N(C(=CC(C)=[N]4c3c(cccc3C(C)C)C(C)C)C)c3c(cccc3C(C)C)C(C)C)[N](=C(C=C2C)C)c2c(C(C)C)cccc2C(C)C)c(C(C)C)cccc1C(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: 22.889 ± 0.003 Å
• b: 14.9573 ± 0.0005 Å
• c: 16.3492 ± 0.0008 Å
• α: 90°
• β: 90.27 ± 0.007°
• γ: 90°
• Cell volume: 5597.2 ± 0.8 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: 0.0725
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections: 0.19
• Weighted residual factors for significantly intense reflections: 0.1767
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No