Information card for entry 7030040

Structure parameters

• Formula: C70 H56 Cl2 Mg N4
• Calculated formula: C70 H56 Cl2 Mg N4
• SMILES: [Mg]12([N](=C(C)C(=C(N1Cc1c3ccccc3cc3ccccc13)C)Cl)Cc1c3ccccc3cc3ccccc13)N(C(=C(Cl)C(=[N]2Cc1c2ccccc2cc2ccccc12)C)C)Cc1c2ccccc2cc2ccccc12
• Title of publication: Lactide polymerization catalyzed by Mg and Zn diketiminate complexes with flexible ligand frameworks.
• Authors of publication: Whitehorne, Todd J. J.; Vabre, Boris; Schaper, Frank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 17
• Pages of publication: 6339 - 6352
• a: 12.5041 ± 0.0008 Å
• b: 14.3017 ± 0.0008 Å
• c: 18.1609 ± 0.001 Å
• α: 104.305 ± 0.002°
• β: 109.464 ± 0.002°
• γ: 100.227 ± 0.002°
• Cell volume: 2844.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.051
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No