Information card for entry 2219629

Structure parameters

• Chemical name: Iodido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N'</i>)(piperine-1-carbodithioato- κ^2^<i>S</i>,<i>S'</i>)copper(II)
• Formula: C18 H18 Cu I N3 S2
• Calculated formula: C18 H18 Cu I N3 S2
• SMILES: [Cu]12(I)([S]=C(S1)N1CCCCC1)[n]1cccc3c1c1[n]2cccc1cc3
• Title of publication: Iodido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(piperine-1-carbodithioato-κ^2^<i>S</i>,<i>S</i>')copper(II)
• Authors of publication: Fan, Le-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1249
• a: 6.408 ± 0.004 Å
• b: 17.11 ± 0.01 Å
• c: 18.4 ± 0.009 Å
• α: 90°
• β: 108.42 ± 0.02°
• γ: 90°
• Cell volume: 1914 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No