Information card for entry 2202240

Structure parameters

• Chemical name: catena-Poly[[diaquabis(1H-benzimidazole-κN^3^)nickel(II)]-μ-succinato- k^2^O:O']
• Formula: C18 H20 N4 Ni O6
• Calculated formula: C18 H20 N4 Ni O6
• SMILES: [Ni](OC(=O)CCC(=O)O[Ni]([OH2])([OH2])([n]1c[nH]c2ccccc12)[n]1c[nH]c2ccccc12)([OH2])(OC(=O)CCC(=O)[O-])([OH2])([n]1c[nH]c2c1cccc2)[n]1c[nH]c2ccccc12
• Title of publication: <i>catena</i>-Poly[[diaquabis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)nickel(II)]-μ-succinato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Yu Liu; Jian-Min Gu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: m330 - m332
• a: 7.0244 ± 0.0007 Å
• b: 8.5982 ± 0.0011 Å
• c: 8.7399 ± 0.0005 Å
• α: 100.248 ± 0.006°
• β: 111.981 ± 0.007°
• γ: 104.734 ± 0.009°
• Cell volume: 450.91 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.031
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes