Information card for entry 4309164

Structure parameters

• Formula: C40 H59 Nd O5
• Calculated formula: C40 H59 Nd O5
• SMILES: [Nd]12345(Oc6c(cc(cc6Cc6c(O1)c(cc(c6)C)C(C)(C)C)C)C(C)(C)C)([O]1CCCC1)([O]1CCCC1)[cH]1[cH]2[cH]4[cH]5[cH]31.O1CCCC1
• Title of publication: Carbon-Bridged Bis(phenolato)lanthanide Alkoxides: Syntheses, Structures, and Their Application in the Controlled Polymerization of ε-Caprolactone
• Authors of publication: Yingming Yao; Xiaoping Xu; Bao Liu; Yong Zhang; Qi Shen; Wing-Tak Wong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5133 - 5140
• a: 8.7082 ± 0.0003 Å
• b: 25.2377 ± 0.001 Å
• c: 35.4858 ± 0.0014 Å
• α: 90°
• β: 90.755 ± 0.001°
• γ: 90°
• Cell volume: 7798.2 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0501
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No