Information card for entry 2207402

Structure parameters

• Chemical name: Bis[1-hydroxy-4,4,5,5-tetramethyl-2-(1,3-thiazol-2-yl)-4,5-dihydro- 1H-imidazole]nitratocobalt(II) nitrate
• Formula: C20 H30 Co N8 O8 S2
• Calculated formula: C20 H30 Co N8 O8 S2
• SMILES: C1(C(C)(N(C2=[N]1[Co]13([n]4ccsc24)([n]2ccsc2C2=[N]1C(C(C)(N2O)C)(C)C)ON(=O)=[O]3)O)C)(C)C.N(=O)(=O)[O-]
• Title of publication: Bis[1-hydroxy-4,4,5,5-tetramethyl-2-(1,3-thiazol-2-yl)-4,5-dihydro-1<i>H</i>-imidazole]nitratocobalt(II) nitrate
• Authors of publication: Li-Ya Wang; Jiu-Li Chang; Kai Jiang; Lu-Fang Ma; Yu-Fang Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2230 - m2231
• a: 13.1701 ± 0.0008 Å
• b: 10.4625 ± 0.0006 Å
• c: 10.6961 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1473.84 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes