Information card for entry 7245121

Structure parameters

• Formula: C16 H18 Br2 Cu2 N4 O2
• Calculated formula: C16 H18 Br2 Cu2 N4 O2
• Title of publication: Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances
• Authors of publication: Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 13.0123 ± 0.0013 Å
• b: 9.6529 ± 0.0009 Å
• c: 16.7087 ± 0.0018 Å
• α: 90°
• β: 107.453 ± 0.003°
• γ: 90°
• Cell volume: 2002.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No