Information card for entry 2222573

Structure parameters

• Chemical name: Diaqua(1,10-phenanthrolin-2-ol)nickel(II) dinitrate
• Formula: C24 H20 N6 Ni O10
• Calculated formula: C24 H20 N6 Ni O10
• SMILES: c1(ccc2c3c4c(cc2)ccc[n]4[Ni]2([n]13)([n]1c3c4c(ccc[n]24)ccc3ccc1O)([OH2])[OH2])O.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Diaqua(1,10-phenanthrolin-2-ol)nickel(II) dinitrate
• Authors of publication: Liu, Qing Yun; Liu, Qi Sheng; Zhao, Qing Ru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m883
• a: 9.6939 ± 0.0016 Å
• b: 16.386 ± 0.003 Å
• c: 16.101 ± 0.003 Å
• α: 90°
• β: 96.126 ± 0.003°
• γ: 90°
• Cell volume: 2542.9 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1922
• Weighted residual factors for all reflections included in the refinement: 0.2115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes