Information card for entry 2208933

Structure parameters

• Chemical name: Aquadichloro(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')nickel(II)
• Formula: C28 H28 Cl4 N4 Ni2 O2
• Calculated formula: C14 H14 Cl2 N2 Ni O
• SMILES: [Ni]1(Cl)(Cl)([OH2])[n]2c(C)ccc3ccc4ccc([n]1c4c23)C
• Title of publication: Aquadichloro(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)
• Authors of publication: Cai-Feng Ding; Yan-Fang Miao; Bing-Qing Tian; Xue-Mei Li; Shu-Sheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1062 - m1063
• a: 7.5631 ± 0.0013 Å
• b: 11.501 ± 0.002 Å
• c: 18.924 ± 0.004 Å
• α: 106.692 ± 0.003°
• β: 93.545 ± 0.004°
• γ: 103.467 ± 0.002°
• Cell volume: 1518.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes