Information card for entry 2244125

Structure parameters

• Chemical name: Hexaaquacobalt bis(2-methyl-1<i>H</i>-imidazol-3-ium) tetraaquabis(benzene-1,3,5-tricarboxylato-κ<i>O</i>)cobalt
• Formula: C26 H40 Co2 N4 O22
• Calculated formula: C26 H40 Co2 N4 O22
• Title of publication: Synthesis and structure of hexaaquacobalt bis(2-methyl-1<i>H</i>-imidazol-3-ium) tetraaquabis(benzene-1,3,5-tricarboxylato-κ<i>O</i>)cobalt
• Authors of publication: Velazquez-Garcia, Jose de Jesus; Techert, Simone
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 8
• a: 9.2008 ± 0.0004 Å
• b: 9.3137 ± 0.0004 Å
• c: 10.647 ± 0.0004 Å
• α: 86.551 ± 0.002°
• β: 79.378 ± 0.002°
• γ: 72.369 ± 0.002°
• Cell volume: 854.61 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0693
• 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: Yes
• Has Fobs: Yes