Information card for entry 2011625

Structure parameters

• Common name: [Cd(phen)(tren)](NO~3~)~2~(H~2~O)
• Chemical name: (1,10-phenanthroline)[tris(2-aminoethyl)amine]cadmium(II) dinitrate hydrate
• Formula: C18 H28 Cd N8 O7
• Calculated formula: C18 H28 Cd N8 O7
• SMILES: [Cd]1234([N](CC[NH2]1)(CC[NH2]2)CC[NH2]3)[n]1cccc2ccc3c(c12)[n]4ccc3.N(=O)(=O)[O-].N(=O)(=O)[O-].O
• Title of publication: A supramolecular cadmium(II) complex: (1,10-phenanthroline)[tris(2-aminoethyl)amine]cadmium(II) dinitrate hydrate
• Authors of publication: Zhang, Hao; Cai, Jiwen; Yang, Guang; Xue, Gen-Qiang; Ji, Liang-Nian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: e562 - e563
• a: 11.385 ± 0.002 Å
• b: 9.951 ± 0.002 Å
• c: 20.745 ± 0.004 Å
• α: 90°
• β: 92.72 ± 0.03°
• γ: 90°
• Cell volume: 2347.6 ± 0.8 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: 0.035
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes