Information card for entry 7013018

Structure parameters

• Formula: C62 H88 Mg2 N4 O4
• Calculated formula: C62 H88 Mg2 N4 O4
• SMILES: [Mg]12([O]=C(C)O[Mg]3([O]=C(O1)C)[N](=C(C=C(N3c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[N](=C(C=C(N2c1c(cccc1C(C)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: 17.316 ± 0.002 Å
• b: 15.1884 ± 0.0013 Å
• c: 23.294 ± 0.003 Å
• α: 90°
• β: 101.725 ± 0.013°
• γ: 90°
• Cell volume: 5998.5 ± 1.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections: 0.1476
• Weighted residual factors for significantly intense reflections: 0.1263
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No