Information card for entry 2208368

Structure parameters

• Chemical name: Aquadichloro(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N)copper(II)
• Formula: C14 H14 Cl2 Cu N2 O
• Calculated formula: C14 H14 Cl2 Cu N2 O
• SMILES: [Cu]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>)copper(II)
• Authors of publication: Cai-Feng Ding; Xue-Mei Li; Mei Zhu; Hong Xu; Shu-Sheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m604 - m605
• a: 7.5047 ± 0.0006 Å
• b: 11.3643 ± 0.0009 Å
• c: 19.367 ± 0.0015 Å
• α: 100.981 ± 0.001°
• β: 100.913 ± 0.001°
• γ: 104.753 ± 0.001°
• Cell volume: 1518 ± 0.2 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: 0.0532
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes