Information card for entry 7014938

Structure parameters

• Formula: C46 H60 Mg2 N4 O2
• Calculated formula: C46 H60 Mg2 N4 O2
• SMILES: CC1=[N](Cc2ccccc2)[Mg]2(N(C(=C1)C)Cc1ccccc1)[O](C(C)(C)C)[Mg]1([N](=C(C)C=C(C)N1Cc1ccccc1)Cc1ccccc1)[O]2C(C)(C)C
• 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: 10.0643 ± 0.0002 Å
• b: 10.7726 ± 0.0002 Å
• c: 11.8549 ± 0.0002 Å
• α: 69.265 ± 0.001°
• β: 77.085 ± 0.001°
• γ: 64.629 ± 0.001°
• Cell volume: 1082.18 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0568
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No