Information card for entry 4308110

Structure parameters

• Formula: C90 H148 N4 Na4 O10
• Calculated formula: C90 H148 N4 Na4 O10
• SMILES: [Na]123[O]4[Na]([O]5CCCC5)([O]5CCCC5)[O]2c2c(cc(cc2C[N]23C[N]3([Na]56[O](c7c(cc(cc7C[N]75C[N]1(CC7)Cc1c4c(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[Na]([O]6c1c(cc(cc1C3)C(C)(C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1)CC2)C(C)(C)C)C(C)(C)C.O1CCCC1.O1CCCC1
• Title of publication: Synthesis, Reactivity, and Structural Characterization of Sodium and Ytterbium Complexes Containing New Imidazolidine-Bridged Bis(phenolato) Ligands
• Authors of publication: Xiaoping Xu; Yingming Yao; Yong Zhang; Qi Shen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3743 - 3751
• a: 10.4123 ± 0.0018 Å
• b: 15.53 ± 0.0018 Å
• c: 15.9655 ± 0.0019 Å
• α: 66.699 ± 0.011°
• β: 85.856 ± 0.016°
• γ: 78.656 ± 0.015°
• Cell volume: 2324.7 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.2042
• Weighted residual factors for all reflections included in the refinement: 0.2279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No