Information card for entry 7207775

Structure parameters

• Formula: C27 H50 N12 Ni O16
• Calculated formula: C27 H42 N12 Ni O16
• 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: 10.3672 ± 0.0016 Å
• b: 21.911 ± 0.003 Å
• c: 17.808 ± 0.003 Å
• α: 90°
• β: 97.316 ± 0.002°
• γ: 90°
• Cell volume: 4012.3 ± 1.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No