Information card for entry 2209720

Structure parameters

• Chemical name: Chloro(N,N'-dimethyldithiocarbamato-κ^2^S,S')(1,10-phenanthroline- κ^2^N,N')copper(II)
• Formula: C15 H14 Cl Cu N3 S2
• Calculated formula: C15 H14 Cl Cu N3 S2
• SMILES: c1ccc2c3[n]1[Cu]1([S]=C(N(C)C)S1)(Cl)[n]1cccc(c31)cc2
• Title of publication: Chloro(<i>N</i>,<i>N</i>'-dimethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)
• Authors of publication: Nobuo, Okabe; Munehiro, Tomoda; Mamiko, Odoko; Masahiro, Yodoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1589 - m1591
• a: 13.98 ± 0.02 Å
• b: 13.45 ± 0.01 Å
• c: 17.15 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3225 ± 6 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes