Information card for entry 7121006

Structure parameters

• Formula: C62 H37 B Cl4 Cu F20 N7 O
• Calculated formula: C62 H37 B Cl4 Cu F20 N7 O
• Title of publication: Phenylamino derivatives of tris(2-pyridylmethyl)amine: hydrogen-bonded peroxodicopper complexes
• Authors of publication: Dahl, E. W.; Dong, H. T.; Szymczak, N. K.
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 13.7619 ± 0.0009 Å
• b: 14.9539 ± 0.0009 Å
• c: 16.6243 ± 0.0007 Å
• α: 106.175 ± 0.005°
• β: 102.188 ± 0.005°
• γ: 107.466 ± 0.006°
• Cell volume: 2967.6 ± 0.4 ų
• Cell temperature: 85 K
• Ambient diffraction temperature: 85 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: 0.1117
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2417
• Weighted residual factors for all reflections included in the refinement: 0.2918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No