Information card for entry 2013222

Structure parameters

• Chemical name: bis(1,10-phenanthroline-κ^2^N,N')copper(I) iodide
• Formula: C24 H16 Cu I N4
• Calculated formula: C24 H16 Cu I N4
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Cu]14[n]2cccc3ccc4ccc[n]1c4c23.[I-]
• Title of publication: Two polymorphs of bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) iodide
• Authors of publication: Clarke, Rachael; Latham, Kay; Rix, Colin; White, Jonathan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: m7 - m9
• a: 16.2547 ± 0.0007 Å
• b: 29.4171 ± 0.0013 Å
• c: 18.1262 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8667.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes