Information card for entry 1544341

Structure parameters

• Chemical name: Bis(μ-4-amino-<i>N</i>-oxidobenzamide)bis[(4-amino-<i>N</i>-oxidobenzamide)aquacobalt] dihydrate
• Formula: C28 H36 Co2 N8 O12
• Calculated formula: C28 H36 Co2 N8 O12
• SMILES: [Co]123([O]=C(NO1)c1ccc(N)cc1)([O]=C(N[O]2[Co]12([O]=C(NO1)c1ccc(N)cc1)([O]=C(N[O]32)c1ccc(N)cc1)[OH2])c1ccc(N)cc1)[OH2].O.O
• Title of publication: Bis(μ-4-amino-<i>N</i>-oxidobenzamide)bis[(4-amino-<i>N</i>-oxidobenzamide)aquacobalt] dihydrate
• Authors of publication: Ding, Xulong; Li, Li
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 10
• Pages of publication: x161640
• a: 10.6382 ± 0.0007 Å
• b: 7.6075 ± 0.0005 Å
• c: 19.8693 ± 0.0013 Å
• α: 90°
• β: 93.219 ± 0.001°
• γ: 90°
• Cell volume: 1605.49 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes