Information card for entry 2202701

Structure parameters

• Formula: C18 H18 Co N4 O6
• Calculated formula: C18 H18 Co N4 O6
• SMILES: [Co]([OH2])([OH2])([n]1c[nH]c2c1cccc2)([n]1c[nH]c2ccccc12)(OC(=O)/C=C/C(=O)O[Co]([OH2])([OH2])([n]1c[nH]c2ccccc12)[n]1c[nH]c2ccccc12)OC(=O)/C=C/C(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[diaquabis(benzimidazole-κ<i>N</i>)cobalt(II)]-μ-fumarato-κ^2^<i>O</i>^1^:<i>O</i>^4^]
• Authors of publication: Yu Liu; Duan-Jun Xu; Dong-Dong Lin; Kai-Liang Yin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m753 - m755
• a: 7.0668 ± 0.001 Å
• b: 8.515 ± 0.0012 Å
• c: 8.7929 ± 0.0013 Å
• α: 99.358 ± 0.011°
• β: 113.322 ± 0.013°
• γ: 102.787 ± 0.012°
• Cell volume: 454.95 ± 0.13 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes