Information card for entry 7111098

Structure parameters

• Formula: C42 H32 Cl4 Cu2 F12 N16 O12 S4
• Calculated formula: C40 H28 Cl4 Cu F11 N16 O11 S2
• Title of publication: Metallacyclophanes formed by a tetrapyrazolyl ligand and copper(ii) cation
• Authors of publication: Jouaiti, Abdelaziz; Loï, Marielle; Hosseini, Mir Wais; De Cian, André
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 2085
• a: 19.7081 ± 0.0007 Å
• b: 17.9293 ± 0.0006 Å
• c: 17.1966 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6076.5 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for all reflections: 0.299
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections: 4.397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No