Information card for entry 2229652

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(2-aminoethanesulfonato- κ^2^<i>N</i>,<i>O</i>)nickel(II)]-μ-1,4-bis(1<i>H</i>-imidazol-1- yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]
• Formula: C16 H22 N6 Ni O6 S2
• Calculated formula: C16 H22 N6 Ni O6 S2
• SMILES: [Ni]12(OS(=O)(=O)CC[NH2]1)(OS(=O)(=O)CC[NH2]2)([n]1cn(cc1)c1ccc(n2cncc2)cc1)[n]1cn(cc1)c1ccc(cc1)n1c[n](cc1)[Ni]12(OS(=O)(=O)CC[NH2]1)OS(=O)(=O)CC[NH2]2
• Title of publication: <i>catena</i>-Poly[[bis(2-aminoethanesulfonato-κ^2^<i>N</i>,<i>O</i>)nickel(II)]-μ-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]
• Authors of publication: Liu, Jin-Biao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m452
• a: 7.4559 ± 0.0015 Å
• b: 11.494 ± 0.002 Å
• c: 12.481 ± 0.003 Å
• α: 90°
• β: 96.19 ± 0.03°
• γ: 90°
• Cell volume: 1063.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes