Information card for entry 2218533

Structure parameters

• Chemical name: Di-μ-acetato-μ-aqua-bis[acetatobis(1H-benzimidazole)cobalt(II)]
• Formula: C36 H38 Co2 N8 O9
• Calculated formula: C36 H38 Co2 N8 O9
• SMILES: [n]1(c[nH]c2c1cccc2)[Co]12([n]3c[nH]c4ccccc34)(OC(=O)C)[O]=C(C)O[Co]([OH2]1)([n]1c[nH]c3ccccc13)([n]1c[nH]c3ccccc13)(OC(=O)C)[O]=C(C)O2
• Title of publication: Di-μ-acetato-μ-aqua-bis[acetatobis(1<i>H</i>-benzimidazole)cobalt(II)]
• Authors of publication: Zimmermann, Iwan; Keene, Tony D.; Neels, Antonia; Decurtins, Silvio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m845 - m846
• a: 18.663 ± 0.004 Å
• b: 8.8101 ± 0.0018 Å
• c: 22.727 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3736.8 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes