Information card for entry 7713888

Structure parameters

• Formula: C40 H56 Mg N2 O
• Calculated formula: C40 H56 Mg N2 O
• SMILES: [Mg]1([O]2CCCC2)(N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1ccc(cc1)C
• Title of publication: Atom economic access to cationic magnesium complexes
• Authors of publication: Brouillet, Etienne Volcan; Brown, Scott; Kennedy, Alan; Rae, Annabel; Walton, Heather; Robertson, Stuart Duncan
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.2045 ± 0.0002 Å
• b: 12.8235 ± 0.0003 Å
• c: 15.2783 ± 0.0003 Å
• α: 97.717 ± 0.002°
• β: 91.981 ± 0.002°
• γ: 94.629 ± 0.002°
• Cell volume: 1779.31 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No