Information card for entry 7014937

Structure parameters

• Formula: C38 H42 Mg N4
• Calculated formula: C38 H42 Mg N4
• SMILES: [Mg]12([N](=C(C)C=C(N1Cc1ccccc1)C)Cc1ccccc1)[N](=C(C)C=C(N2Cc1ccccc1)C)Cc1ccccc1
• Title of publication: Nacnac(Bn)MgOtBu: a diketiminate-based catalyst for the polymerisation of rac-lactide with slight isotactic preference.
• Authors of publication: Drouin, Frédéric; Whitehorne, Todd J. J.; Schaper, Frank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 6
• Pages of publication: 1396 - 1400
• a: 9.4576 ± 0.0004 Å
• b: 11.4589 ± 0.0005 Å
• c: 15.3668 ± 0.0007 Å
• α: 93.896 ± 0.002°
• β: 104.356 ± 0.002°
• γ: 93.28 ± 0.002°
• Cell volume: 1604.89 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No