Information card for entry 2202159

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([OH2])(Cl)(Cl)[n]2c(ccc3ccc4ccc([n]1c4c23)C)C
• Title of publication: Aquadichloro(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N,N</i>')copper(II)
• Authors of publication: Lemoine, Pascale; Viossat, Bernard; Daran, Jean-Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: m17 - m19
• a: 9.462 ± 0.001 Å
• b: 8.093 ± 0.001 Å
• c: 9.823 ± 0.001 Å
• α: 90°
• β: 105.38 ± 0.01°
• γ: 90°
• Cell volume: 725.27 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes