Information card for entry 2201219

Structure parameters

• Chemical name: Hexakis(imidazole-N)cobalt(II) 1,4-benzenedicarboxylate tetrahydrate
• Formula: C26 H36 Co N12 O8
• Calculated formula: C26 H36 Co N12 O8
• SMILES: c1[n](cc[nH]1)[Co]([n]1c[nH]cc1)([n]1c[nH]cc1)([n]1c[nH]cc1)([n]1c[nH]cc1)[n]1c[nH]cc1.O=C(c1ccc(C(=O)[O-])cc1)[O-].O.O.O.O
• Title of publication: Hexakis(imidazole-<i>N</i>)cobalt(II) 1,4-benzenedicarboxylate tetrahydrate
• Authors of publication: Tong, Ming-Liang; Li, Wei; Chen, Xiao-Ming; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m186 - m188
• a: 8.219 ± 0.004 Å
• b: 16.203 ± 0.007 Å
• c: 12.991 ± 0.006 Å
• α: 90°
• β: 105.19 ± 0.01°
• γ: 90°
• Cell volume: 1669.6 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes