Information card for entry 2203886

Structure parameters

• Formula: C18 H18 N4 Ni O6
• Calculated formula: C18 H18 N4 Ni O6
• SMILES: [Ni]([OH2])([OH2])([n]1c[nH]c2c1cccc2)([n]1c[nH]c2ccccc12)(OC(=O)/C=C/C(=O)O[Ni]([OH2])([OH2])([n]1c[nH]c2cc[c]cc12)[n]1c[nH]c2ccccc12)OC(=O)/C=C/C(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[diaquabis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)nickel(II)]-μ-fumarato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Yu Liu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m1002 - m1004
• a: 7.065 ± 0.001 Å
• b: 8.4842 ± 0.001 Å
• c: 8.6617 ± 0.0009 Å
• α: 98.471 ± 0.007°
• β: 112.685 ± 0.004°
• γ: 103.098 ± 0.004°
• Cell volume: 450.37 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.038
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes