Information card for entry 2220509

Structure parameters

• Chemical name: Di-μ-sulfato-bis[diaqua(1<i>H</i>- imidazo[4,5-<i>f</i>][1,10]phenanthroline)nickel(II)] dihydrate
• Formula: C26 H28 N8 Ni2 O14 S2
• Calculated formula: C26 H28 N8 Ni2 O14 S2
• SMILES: c12c3[n]4cccc3c3[nH]cnc3c2ccc[n]1[Ni]14([OH2])(OS(=O)(=O)O[Ni]2([n]3cccc4c3c3[n]2cccc3c2[nH]cnc42)(OS(=O)(=O)O1)([OH2])[OH2])[OH2].O.O
• Title of publication: Di-μ-sulfato-bis[diaqua(1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline)nickel(II)] dihydrate
• Authors of publication: Zeng, Wei; She, Jin-Hua; Wang, Cui-Juan; Fang, Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m42 - m43
• a: 10.296 ± 0.002 Å
• b: 9.056 ± 0.0018 Å
• c: 16.836 ± 0.003 Å
• α: 90°
• β: 99.108 ± 0.003°
• γ: 90°
• Cell volume: 1550 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes