Information card for entry 2207304

Structure parameters

• Chemical name: Triaqua(pyridine-2,5-dicarboxylato-κ^2^N,O^2^)[4,4,5,5-tetramethyl- 2-(4-pyridyl)imidazoline-1-oxyl-κN^2^]zinc(II)
• Formula: C19 H25 N4 O8 Zn
• Calculated formula: C19 H25 N4 O8 Zn
• SMILES: [Zn]1(OC(=O)c2[n]1cc(cc2)C(=O)[O-])([OH2])([OH2])([OH2])[n]1ccc(cc1)C1=NC(C([N]1=O)(C)C)(C)C
• Title of publication: Triaqua(pyridine-2,5-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^)[4,4,5,5-tetramethyl-2-(4-pyridyl)imidazoline-1-oxyl-κ<i>N</i>^2^]zinc(II)
• Authors of publication: Dong-Zhao Gao; Zong-Hui Jiang; Dai-Zheng Liao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2446 - m2448
• a: 16.978 ± 0.006 Å
• b: 7.355 ± 0.003 Å
• c: 18.812 ± 0.007 Å
• α: 90°
• β: 108.867 ± 0.005°
• γ: 90°
• Cell volume: 2222.9 ± 1.5 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: 0.0376
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes