Information card for entry 7004262

Structure parameters

• Formula: C40 H59 La O5
• Calculated formula: C40 H58 La O5
• SMILES: [La]12345(Oc6c(cc(cc6Cc6c(O1)c(cc(c6)C)C(C)(C)C)C)C(C)(C)C)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Synthesis, characterization and reactivity of heteroleptic rare earth metal bis(phenolate) complexes
• Authors of publication: Qi, Ruipeng; Liu, Bao; Xu, Xiaoping; Yang, Zijian; Yao, Yingming; Zhang, Yong; Shen, Qi
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 37
• Pages of publication: 5016 - 5024
• a: 20.652 ± 0.004 Å
• b: 9.8049 ± 0.0017 Å
• c: 18.579 ± 0.003 Å
• α: 90°
• β: 95.742 ± 0.005°
• γ: 90°
• Cell volume: 3743.2 ± 1.1 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: 0.0517
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No