Information card for entry 7002563

Structure parameters

• Formula: C36 H38 Mg N4 O2 S2
• Calculated formula: C36 H38 Mg N4 O2 S2
• SMILES: [Mg]1234([S](c5c(N2c2ccccc2C2OCC([N]1=2)(C)C)cccc5)C)[S](c1c(N4c2ccccc2C2=[N]3C(CO2)(C)C)cccc1)C
• Title of publication: Magnesium complexes containing bis-amido-oxazolinate ligands as efficient catalysts for ring opening polymerisation of l-lactide
• Authors of publication: Chen, Ming-Tsz; Chang, Ping-Jung; Huang, Chi-An; Peng, Kuo-Fu; Chen, Chi-Tien
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 41
• Pages of publication: 9068 - 9074
• a: 19.4198 ± 0.0014 Å
• b: 19.5089 ± 0.0014 Å
• c: 18.2249 ± 0.0013 Å
• α: 90°
• β: 104.711 ± 0.001°
• γ: 90°
• Cell volume: 6678.3 ± 0.8 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• 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: 0.0727
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No