Information card for entry 2023300

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquadiimidazolecobalt(II)]-μ~2~-2,3,5,6-tetrabromobenzene-1,4-dicarboxylato]
• Formula: C14 H12 Br4 Co N4 O6
• Calculated formula: C14 H12 Br4 Co N4 O6
• Title of publication: Crystal structure of catena-poly[[diaquadiimidazolecobalt(II)]-μ2-2,3,5,6-tetrabromobenzene-1,4-dicarboxylato]
• Authors of publication: Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 11
• Pages of publication: 1217 - 1220
• a: 18.805 ± 0.0007 Å
• b: 12.2925 ± 0.0006 Å
• c: 10.8938 ± 0.0005 Å
• α: 90°
• β: 121.853 ± 0.003°
• γ: 90°
• Cell volume: 2138.98 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No