Information card for entry 7111097

Structure parameters

• Formula: C18 H14 N8
• Calculated formula: C18 H14 N8
• 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: 6.384 ± 0.001 Å
• b: 7.007 ± 0.001 Å
• c: 9.941 ± 0.001 Å
• α: 76°
• β: 76°
• γ: 80°
• Cell volume: 415.52 ± 0.1 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections: 1.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No