Information card for entry 2219990

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aquatripyridinecobalt(II)]-μ-5-amino-2,4,6- triiodoisophthalato-κ^2^O^1^:O^3^] pyridine solvate]
• Formula: C28 H24 Co I3 N5 O5
• Calculated formula: C28 H24 Co I3 N5 O5
• SMILES: [Co]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)(OC(=O)c1c(c(c(c(c1I)C(=O)[O-])I)N)I)([OH2])OC(=O)c1c(c(c(c(c1I)C(=O)O[Co]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[OH2])I)N)I.c1ccccn1.c1ccccn1
• Title of publication: <i>catena</i>-Poly[[[aquatripyridinecobalt(II)]-μ-5-amino-2,4,6-triiodoisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^] pyridine solvate]
• Authors of publication: Zhang, Yu; Zhao, Jianying; Tang, Guodong; Jiang, Zhengjing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1392 - m1393
• a: 9.7759 ± 0.0002 Å
• b: 16.9083 ± 0.0004 Å
• c: 19.338 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3196.45 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes