Information card for entry 4337579

Structure parameters

• Formula: C103 H67 Cl3 Cu3 F36 N8 O12
• Calculated formula: C103 H66 Cl3 Cu3 F36 N8 O12
• Title of publication: Construction of an M3L2A6 cage with small windows from a flexible tripodal ligand and Cu(hfac)3.
• Authors of publication: Ikeda, Mari; Ohno, Keiji; Kasumi, Yuki; Kuwahara, Shunsuke; Habata, Yoichi
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 24 - 26
• a: 29.418 ± 0.003 Å
• b: 18.8328 ± 0.0017 Å
• c: 20.7242 ± 0.0018 Å
• α: 90°
• β: 94.843 ± 0.002°
• γ: 90°
• Cell volume: 11440.7 ± 1.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• 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: 0.1635
• Residual factor for significantly intense reflections: 0.1021
• Weighted residual factors for significantly intense reflections: 0.3009
• Weighted residual factors for all reflections included in the refinement: 0.3487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No