Information card for entry 7002752

Structure parameters

• Formula: C72 H120 Cl4 Mg2 N4 O4
• Calculated formula: C72 H120 Cl4 Mg2 N4 O4
• SMILES: c1(c(C(C)(C)C)cc(C(C)(C)C)cc1[C@H](C)c1c(OC)c(C(C)(C)C)cc(C(C)(C)C)c1)O[Mg]12[NH](CC[N]2(C)C)[Mg]2([NH]1CC[N]2(C)C)Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1[C@@H](C)c1c(OC)c(C(C)(C)C)cc(C(C)(C)C)c1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Preparation and characterization of bisphenolato magnesium derivatives: an efficient catalyst for the ring-opening polymerization of ε-caprolactone and L-lactide
• Authors of publication: Shen, Min-Yi; Peng, Ya-Liu; Hung, Wen-Chou; Lin, Chu-Chieh
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 9906 - 9913
• a: 10.566 ± 0.002 Å
• b: 10.567 ± 0.002 Å
• c: 18.362 ± 0.004 Å
• α: 84.166 ± 0.005°
• β: 80.16 ± 0.004°
• γ: 77.437 ± 0.005°
• Cell volume: 1967.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1421
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2174
• Weighted residual factors for all reflections included in the refinement: 0.2556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No