Information card for entry 7012641

Structure parameters

• Formula: C34 H58 Mg N2 O2
• Calculated formula: C34 H58 Mg N2 O2
• SMILES: [Mg]1(Oc2c(cccc2C(C)(C)C)C(C)(C)C)(Oc2c(cccc2C(C)(C)C)C(C)(C)C)[N](CC[N]1(C)C)(C)C
• 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: 11.6257 ± 0.0002 Å
• b: 15.391 ± 0.0002 Å
• c: 18.7651 ± 0.0003 Å
• α: 90°
• β: 96.118 ± 0.001°
• γ: 90°
• Cell volume: 3338.54 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No