Information card for entry 2204123

Structure parameters

• Chemical name: Diaquatetrakis(1H-imidazole-κN^3^)cobalt(II) terephthalate
• Formula: C20 H24 Co N8 O6
• Calculated formula: C20 H24 Co N8 O6
• SMILES: C(=O)(c1ccc(C(=O)[O-])cc1)[O-].c1c[nH]c[n]1[Co]([n]1cc[nH]c1)([n]1cc[nH]c1)([n]1cc[nH]c1)([OH2])[OH2]
• Title of publication: Diaquatetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II) terephthalate
• Authors of publication: Zhang, Quan-Zheng; Lu, Can-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1289 - m1290
• a: 22.283 ± 0.0007 Å
• b: 7.6818 ± 0.0003 Å
• c: 16.1127 ± 0.0003 Å
• α: 90°
• β: 120.63 ± 0.002°
• γ: 90°
• Cell volume: 2373.25 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No