Information card for entry 7019172

Structure parameters

• Formula: C58 H59 F28 La N Na O8
• Calculated formula: C58 H59 F28 La N Na O8
• SMILES: C(C(C(F)(F)F)(F)F)(F)(C1O[La]23456([O]=C7C(=C(C(C(C(F)(F)F)(F)F)(F)F)[O]4[Na]4([N]#CC)([F][C@](C(=C8C([C@@]9(C(C)([C@H]8CC9)C)C)=[O]2)[O]54)(C(C(F)(F)F)(F)F)F)[O]6C(=C2C([C@@]4(C([C@H]2CC4)(C)C)C)=[O]3)C(C(C(F)(F)F)(F)F)(F)F)[C@@H]2CC[C@]7(C2(C)C)C)[O]=C2C=1[C@@H]1CC[C@@]2(C)C1(C)C)F
• Title of publication: Dynamic chiral-at-metal stability of tetrakis(d/l-hfc)Ln(iii) complexes capped with an alkali metal cation in solution.
• Authors of publication: Lin, Yiji; Zou, Fang; Wan, Shigang; Ouyang, Jie; Lin, Lirong; Zhang, Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 6696 - 6706
• a: 13.2089 ± 0.0019 Å
• b: 21.194 ± 0.003 Å
• c: 24.281 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6797.5 ± 1.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No