Information card for entry 7020915

Structure parameters

• Formula: C56 H58 Ca Cl4 N8 O2
• Calculated formula: C56 H58 Ca Cl4 N8 O2
• SMILES: [Ca]1234(Oc5n(c6ccccc6)nc(c5C(=[N]1CC[N]2(C)C)c1ccc(cc1)c1ccccc1)C)Oc1n(c2ccccc2)nc(c1C(=[N]3CC[N]4(C)C)c1ccc(cc1)c1ccccc1)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Ring-opening polymerization of l-lactide catalyzed by calcium complexes.
• Authors of publication: Hsiao, Mon-Wei; Lin, Chu-Chieh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 2041 - 2051
• a: 27.021 ± 0.004 Å
• b: 13.1464 ± 0.0012 Å
• c: 17.215 ± 0.003 Å
• α: 90°
• β: 121.3 ± 0.02°
• γ: 90°
• Cell volume: 5225.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No