Information card for entry 7012639

Structure parameters

• Formula: C47 H78 Mg2 N2 O2
• Calculated formula: C47 H78 Mg2 N2 O2
• SMILES: [Mg]1([N](C(C)C)(C(C)C)[Mg](Oc2c(cccc2C(C)(C)C)C(C)(C)C)[N]1(C(C)C)C(C)C)Oc1c(cccc1C(C)(C)C)C(C)(C)C.Cc1ccccc1
• Title of publication: Magnesium aryloxides: synthesis, structure, solution behavior and magnesiate ion formation
• Authors of publication: Henderson, Kenneth W.; Honeyman, Gordon W.; Kennedy, Alan R.; Mulvey, Robert E.; Parkinson, John A.; Sherrington, David C.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 1365
• a: 12.8885 ± 0.0001 Å
• b: 15.478 ± 0.0002 Å
• c: 22.8343 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4555.17 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No