Information card for entry 4309165

Structure parameters

• Formula: C76 H122 Nd2 O12
• Calculated formula: C76 H122 Nd2 O12
• SMILES: c12c(cc(cc1Cc1c(c(cc(c1)C)C(C)(C)C)O[Nd]1(O2)([O](C(C)C)[Nd]2(Oc3c(cc(cc3Cc3c(c(cc(c3)C)C(C)(C)C)O2)C)C(C)(C)C)([O]1C(C)C)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1)C)C(C)(C)C.O1CCCC1.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: 13.723 ± 0.005 Å
• b: 17.247 ± 0.006 Å
• c: 16.279 ± 0.006 Å
• α: 90°
• β: 93.8 ± 0.004°
• γ: 90°
• Cell volume: 3844 ± 2 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No