Information card for entry 2229714

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquacobalt(II)]bis[μ-2-(4-carboxylatophenyl)-\ 4,4,5,5-tetramethyl-4,5-dihydro-1<i>H</i>-imidazol-1-oxyl 3-oxide]]
• Formula: C28 H36 Co N4 O10
• Calculated formula: C28 H36 Co N4 O10
• SMILES: [Co]1([OH2])([OH2])OC(=O)c2ccc(cc2)C2=N(=O)C(C)(C)C(C)(C)[N]2=[O][Co](OC(=O)c2ccc(cc2)C2=N(=O)C(C([N]2=[O]1)(C)C)(C)C)([OH2])([OH2])(OC(=O)c1ccc(cc1)C1=N(=O)C(C)(C)C(C)(C)[N]1=O)[O]=N1C(=N(=O)C(C1(C)C)(C)C)c1ccc(cc1)C(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[diaquacobalt(II)]bis[μ-2-(4-carboxylatophenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1<i>H</i>-imidazol-1-oxyl 3-oxide]]
• Authors of publication: Rong, Rong; Gao, Ge; Zhu, Lili
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m488
• a: 13.548 ± 0.003 Å
• b: 9.2054 ± 0.0018 Å
• c: 12.549 ± 0.003 Å
• α: 90°
• β: 115.17 ± 0.03°
• γ: 90°
• Cell volume: 1416.4 ± 0.6 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: 0.1197
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1692
• 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