Information card for entry 4084881

Structure parameters

• Formula: C99 H147 Cl3 Er2 N6 O6
• Calculated formula: C99 H147 Cl3 Er2 N6 O6
• Title of publication: Synthesis of Bimetallic Bis(phenolate) N-Heterocyclic Carbene Lanthanide Complexes and Their Applications in the Ring-Opening Polymerization ofl-Lactide
• Authors of publication: Zhang, Min; Ni, Xufeng; Shen, Zhiquan
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 23
• Pages of publication: 6861
• a: 21.2225 ± 0.0008 Å
• b: 15.924 ± 0.0005 Å
• c: 32.9756 ± 0.0011 Å
• α: 90°
• β: 103.321 ± 0.004°
• γ: 90°
• Cell volume: 10844.2 ± 0.7 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• 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: 0.0627
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No