Information card for entry 7240036

Structure parameters

• Formula: C84 H50 N12 Ni3 O17
• Calculated formula: C84 H50 N12 Ni3 O17
• Title of publication: Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors
• Authors of publication: Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 7
• Pages of publication: 1209 - 1219
• a: 15.7534 ± 0.0008 Å
• b: 32.9347 ± 0.0016 Å
• c: 15.7929 ± 0.0008 Å
• α: 90°
• β: 111.776 ± 0.001°
• γ: 90°
• Cell volume: 7609.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1339
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No