Information card for entry 7246581

Structure parameters

• Formula: C64 H80 Cu4 N6 O21
• Calculated formula: C64 H80 Cu4 N6 O21
• 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: 20.737 ± 0.004 Å
• b: 8.442 ± 0.0017 Å
• c: 40.952 ± 0.008 Å
• α: 90°
• β: 97.09 ± 0.03°
• γ: 90°
• Cell volume: 7114 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2121
• Weighted residual factors for all reflections included in the refinement: 0.2228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.788 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No