Information card for entry 2208906

Structure parameters

• Chemical name: Chlorobis(1,10-phenanthroline-κ^2^N,N')copper(II) dicyanamide
• Formula: C26 H16 Cl Cu N7
• Calculated formula: C26 H16 Cl Cu N7
• SMILES: C(#N)[N-]C#N.c12c3ccc[n]2[Cu]2(Cl)([n]4c1c(ccc4)cc3)[n]1c3c(ccc1)ccc1c3[n]2ccc1
• Title of publication: Chlorobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) dicyanamide
• Authors of publication: Potočňák, Ivan; Burčák, Milan; Dušek, Michal; Fejfarová, Karla
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1009 - m1011
• a: 14.9595 ± 0.0008 Å
• b: 10.6537 ± 0.0005 Å
• c: 14.719 ± 0.0008 Å
• α: 90°
• β: 114.481 ± 0.005°
• γ: 90°
• Cell volume: 2134.9 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes