Information card for entry 2204009

Structure parameters

• Chemical name: catena-Poly[[[aquabis(1H-benzimidazole-κN^3^)nickel(II)]-μ- isophthalato-κ^2^O:O'] hemihydrate]
• Formula: C22 H19 N4 Ni O5.5
• Calculated formula: C22 H19 N4 Ni O5.5
• Title of publication: <i>catena</i>-Poly[[[aquabis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)nickel(II)]-μ-isophthalato-κ^2^<i>O</i>:<i>O</i>'] hemihydrate]
• Authors of publication: Yu Liu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1092 - m1094
• a: 12.106 ± 0.0006 Å
• b: 13.7927 ± 0.0008 Å
• c: 13.8994 ± 0.0009 Å
• α: 60.813 ± 0.003°
• β: 88.719 ± 0.003°
• γ: 80.625 ± 0.002°
• Cell volume: 1994.7 ± 0.2 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: 0.103
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes