Information card for entry 7111099

Structure parameters

• Formula: C40 H38 Cl12 Cu3 N16 O2
• Calculated formula: C35.5 H26 Cl4 Cu0.625 N16 O
• 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: 10.0302 ± 0.0005 Å
• b: 11.3568 ± 0.0006 Å
• c: 23.5388 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2681.3 ± 0.2 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 6
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections: 1.285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No