Information card for entry 4350339

Structure parameters

• Formula: C58 H59 F28 La N Na O8
• Calculated formula: C58 H59 F28 La N Na O8
• SMILES: [La]123456([O]([Na]7([F]C(F)(C([O]47)=C4C(=[O]5)[C@@]5(CC[C@H]4C5(C)C)C)C(F)(F)C(F)(F)F)([O]2C(=C2C(=[O]3)[C@@]3(CC[C@H]2C3(C)C)C)C(F)(F)C(F)(F)C(F)(F)F)[N]#CC)C(=C2C(=[O]1)[C@@]1(CC[C@H]2C1(C)C)C)C(F)(F)C(F)(F)C(F)(F)F)[O]=C(C1=C(O6)[C@@]2(CC[C@H]1C2(C)C)C)C(F)(F)C(F)(F)C(F)(F)F
• Title of publication: Novel configurational structures of sodium tetrakis(3-heptafluorobutylryl-(+)-camphorato) Ln(III) complexes with a trapped Na+ by Na+...FC interactions in the solid state and in solution.
• Authors of publication: Shirotani, Dai; Suzuki, Takayoshi; Kaizaki, Sumio
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6111 - 6113
• a: 21.187 ± 0.006 Å
• b: 24.286 ± 0.005 Å
• c: 13.22 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6802 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.3307
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No