Information card for entry 7207777

Structure parameters

• Formula: C27 H46 N12 Ni O14
• Calculated formula: C27 H42 N12 Ni O14
• Title of publication: Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand
• Authors of publication: Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 3271
• a: 10.406 ± 0.009 Å
• b: 23.14 ± 0.02 Å
• c: 16.882 ± 0.015 Å
• α: 90°
• β: 94.791 ± 0.013°
• γ: 90°
• Cell volume: 4051 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1676
• Residual factor for significantly intense reflections: 0.1219
• Weighted residual factors for significantly intense reflections: 0.3225
• Weighted residual factors for all reflections included in the refinement: 0.355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No