Information card for entry 2230976

Structure parameters

• Chemical name: Tetraaquabis(2-methyl-1<i>H</i>-benzimidazolium- 1,3-diacetato-κ<i>O</i>)cobalt(II) tetrahydrate
• Formula: C24 H38 Co N4 O16
• Calculated formula: C24 H38 Co N4 O16
• SMILES: c1(C)n(c2c(cccc2)[n+]1CC(=O)[O-])CC(=O)O[Co]([OH2])([OH2])(OC(=O)Cn1c(C)[n+](c2c1cccc2)CC(=O)[O-])([OH2])[OH2].O.O.O.O
• Title of publication: \ Tetraaquabis(2-methyl-1<i>H</i>-benzimidazolium-1,3-diacetato-κ<i>O</i>)\ cobalt(II) tetrahydrate
• Authors of publication: Feng, Xiu-Ling; Zhang, Yu-Ping
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1170 - m1170
• a: 7.293 ± 0.0007 Å
• b: 21.24 ± 0.002 Å
• c: 9.8123 ± 0.0011 Å
• α: 90°
• β: 104.907 ± 0.001°
• γ: 90°
• Cell volume: 1468.8 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes