Information card for entry 8000125

Structure parameters

• Formula: C88 H73 Cl3 F9 La N6 O20 S3
• Calculated formula: C88 H73 Cl3 F9 La N6 O20 S3
• Title of publication: Construction and Structural Investigation of Helical Coordination Network Formed by the Self-assembly of Triple Helicate with Macrocyclic Framework and Lanthanum Cations
• Authors of publication: Tominaga, Masahide; Masu, Hyuma; Yamaguchi, Kentaro; Azumaya, Isao
• Journal of publication: Chemistry Letters
• Year of publication: 2006
• Journal volume: 35
• Journal issue: 7
• Pages of publication: 718
• a: 13.7251 ± 0.0014 Å
• b: 18.1828 ± 0.0016 Å
• c: 20.7849 ± 0.0016 Å
• α: 109.059 ± 0.004°
• β: 98.172 ± 0.005°
• γ: 94.173 ± 0.004°
• Cell volume: 4813.4 ± 0.8 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1457
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.2356
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No