Information card for entry 2223183

Structure parameters

• Common name: MesKetoiminateMgButyl
• Chemical name: Butylbis[μ-4-(2,4,6-trimethylphenylamino)pent-3-en-2-onato][4-(2,4,6- trimethylphenylamino)pent-3-en-2-onato]dimagnesium(II)
• Formula: C46 H63 Mg2 N3 O3
• Calculated formula: C46 H63 Mg2 N3 O3
• SMILES: [Mg]234([O](C(=CC(=[N]5c1c(cc(cc1C)C)C)C)C)[Mg]5([O]2C(=CC(=[N]4c1c(cc(cc1C)C)C)C)C)CCCC)OC(=CC(=[N]3c1c(cc(cc1C)C)C)C)C
• Title of publication: Butylbis[μ-4-(2,4,6-trimethylphenylamino)pent-3-en-2-onato][4-(2,4,6-trimethylphenylamino)pent-3-en-2-onato]dimagnesium
• Authors of publication: Boeré, René T.; Gietz, Twyla
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1137 - m1138
• a: 20.016 ± 0.002 Å
• b: 10.7515 ± 0.0012 Å
• c: 20.72 ± 0.002 Å
• α: 90°
• β: 94.154 ± 0.001°
• γ: 90°
• Cell volume: 4447.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes