Information card for entry 4349537

Structure parameters

• Formula: C14 H6 Co K N2 O8
• Calculated formula: C14 H6 Co K N2 O8
• SMILES: c12C(O[Co]345([n]1c(ccc2)C(=O)O3)[n]1c(cccc1C(=O)O5)C(=O)O4)=O.[K+]
• Title of publication: Anisotropic Li+ ion conductivity in a large single crystal of a Co(iii) coordination complex
• Authors of publication: Kim, Saet Byeol; Kim, Jeung Yoon; Jeong, Nak Cheon; Ok, Kang Min
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 79
• a: 6.9113 ± 0.001 Å
• b: 6.9113 ± 0.001 Å
• c: 28.4262 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1357.8 ± 0.3 ų
• Cell temperature: 173 ± 0.2 K
• Ambient diffraction temperature: 173 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No