Information card for entry 7246583

Structure parameters

• Formula: C64 H87 Cu4 N6 O21.5
• Calculated formula: C64 H87 Cu4 N6 O21.5
• Title of publication: Design and synthesis of copper(ii) malonates with N,N′-containing linkers
• Authors of publication: Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 2859 - 2870
• a: 16.7676 ± 0.0006 Å
• b: 13.2787 ± 0.0005 Å
• c: 17.0342 ± 0.0006 Å
• α: 90°
• β: 117.98 ± 0.002°
• γ: 90°
• Cell volume: 3349.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No