Information card for entry 2233487

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaquadiformatonickel(II)]-μ-1,4- bis(1<i>H</i>-benzimidazol-1-yl)benzene] dihydrate]
• Formula: C22 H24 N4 Ni O8
• Calculated formula: C22 H24 N4 Ni O8
• SMILES: [Ni](OC=O)(OC=O)([OH2])([OH2])([n]1cn(c2ccccc12)c1ccc(cc1)n1c[n]([Ni](OC=O)([OH2])(OC=O)[OH2])c2c1cccc2)[n]1cn(c2ccccc12)c1ccc(cc1)n1cnc2c1cccc2.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquadiformatonickel(II)]-μ-1,4-bis(1<i>H</i>-benzimidazol-1-yl)benzene] dihydrate]
• Authors of publication: Li, Hui; Sun, Hong; Chai, Xiaochuan; Yao, Chenzhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m216
• a: 7.4431 ± 0.0015 Å
• b: 9.0895 ± 0.0018 Å
• c: 9.3863 ± 0.0019 Å
• α: 78.46 ± 0.03°
• β: 77.79 ± 0.03°
• γ: 67.86 ± 0.03°
• Cell volume: 569.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes