Information card for entry 2212983

Structure parameters

• Chemical name: Chloridobis(1,10-phenanthroline-κ^2^N,N')copper(II) iodide monohydrate
• Formula: C24 H18 Cl Cu I N4 O
• Calculated formula: C24 H18 Cl Cu I N4 O
• SMILES: [I-].[Cu]12(Cl)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.O
• Title of publication: Chloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) iodide monohydrate
• Authors of publication: Shi, Ta-Qing; Liu, Dong-Sheng; Zhou, Guang-Pei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m950 - m952
• a: 9.776 ± 0.002 Å
• b: 11.571 ± 0.002 Å
• c: 11.956 ± 0.002 Å
• α: 65.78 ± 0.03°
• β: 68.06 ± 0.03°
• γ: 71 ± 0.03°
• Cell volume: 1120.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes