Information card for entry 2214273

Structure parameters

• Chemical name: Bis[iodidobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] tetraiodidocadmate(II)
• Formula: C48 H32 Cd Cu2 I6 N8
• Calculated formula: C48 H32 Cd Cu2 I6 N8
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Cu]14(I)[n]2cccc3ccc4ccc[n]1c4c23.I[Cd](I)([I-])[I-].c1ccc2ccc3ccc[n]4c3c2[n]1[Cu]14(I)[n]2cccc3ccc4ccc[n]1c4c23
• Title of publication: Bis[iodidobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] tetraiodidocadmate(II)
• Authors of publication: Ming-Lei Cao; Xin Fang; Yan-Jun Zhang; Hai-Yang Yu; Jun-Dong Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1782 - m1782
• a: 21.0726 ± 0.0005 Å
• b: 15.4727 ± 0.0005 Å
• c: 15.5907 ± 0.0004 Å
• α: 90°
• β: 90.991 ± 0.001°
• γ: 90°
• Cell volume: 5082.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0354
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes