Information card for entry 2211501

Structure parameters

• Chemical name: (Dimethyldithiocarbamato-κ^2^S,S')iodo(1,10-phenanthroline-κ^2^N,N')copper(II)
• Formula: C15 H14 Cu I N3 S2
• Calculated formula: C15 H14 Cu I N3 S2
• SMILES: [Cu]12(I)(SC(=[S]1)N(C)C)[n]1cccc3ccc4ccc[n]2c4c13
• Title of publication: (<i>N</i>,<i>N</i>-Dimethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')iodo(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)
• Authors of publication: Le-Qing Fan; Ji-Huai Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3208 - m3209
• a: 9.0506 ± 0.0005 Å
• b: 11.3701 ± 0.0007 Å
• c: 17.1085 ± 0.0011 Å
• α: 90°
• β: 94.49 ± 0.005°
• γ: 90°
• Cell volume: 1755.17 ± 0.18 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes