Information card for entry 7062940

Structure parameters

• Formula: C22 H16 Cu F6 N6 O4
• Calculated formula: C22 H16 Cu F6 N6 O4
• Title of publication: Research of the influence of anions in complexes [CuPhen(Hpz)2X2] (X = CF3COO−, Otf−, Cl−) on the structure and bioactivity
• Authors of publication: Uvarova, Marina A.; Lutsenko, Irina A.; Shmelev, Maxim A.; Nefedov, Sergey E.; Bekker, Olga B.; Lashkin, Arseniy I.; Shender, Victoria O.; Eremenko, Igor L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 717 - 723
• a: 10.1267 ± 0.0017 Å
• b: 10.9088 ± 0.0018 Å
• c: 12.076 ± 0.002 Å
• α: 78.05 ± 0.003°
• β: 72.589 ± 0.003°
• γ: 76.521 ± 0.003°
• Cell volume: 1224.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No