Information card for entry 4337163

Structure parameters

• Formula: C40 H74 Mg3 N4 O6
• Calculated formula: C40 H74 Mg3 N4 O6
• SMILES: [Mg]123([N](CC[O]1[Mg]145[N](CC[O]4[Mg]4([N](CC[O]24)(C)C)(Oc2c(cccc2C(C)C)C(C)C)[O]35CC[N]1(C)C)(C)C)(C)C)Oc1c(cccc1C(C)C)C(C)C
• Title of publication: Trinuclear and Tetranuclear Magnesium Alkoxide Clusters as Highly Active Initiators for Ring-Opening Polymerization of l-Lactide.
• Authors of publication: Gao, Yuan; Dai, Zhongran; Zhang, Jinjin; Ma, Xinxian; Tang, Ning; Wu, Jincai
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 716 - 726
• a: 16.0188 ± 0.0002 Å
• b: 17.3708 ± 0.0002 Å
• c: 16.2816 ± 0.0002 Å
• α: 90°
• β: 93.8503 ± 0.0013°
• γ: 90°
• Cell volume: 4520.28 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0371
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No