Information card for entry 2013221

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: [n]12cccc3c1c1[n]([Cu]42[n]2cccc5c2c2[n]4cccc2cc5)cccc1cc3.[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: 14.215 ± 0.004 Å
• b: 7.458 ± 0.002 Å
• c: 9.493 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1006.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 50
• Hermann-Mauguin space group symbol: P b a n :2
• Hall space group symbol: -P 2ab 2b
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes