Information card for entry 2219371

Structure parameters

• Chemical name: Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(4-methylbenzoato- κ^2^<i>O</i>,<i>O</i>')copper(II) iodide hemihydrate
• Formula: C28 H24 Cu I N4 O2.5
• Calculated formula: C28 H24 Cu I N4 O2.5
• SMILES: c1cccc2c3cccc[n]3[Cu]34([n]12)([n]1ccccc1c1cccc[n]31)OC(=[O]4)c1ccc(cc1)C.[I-].O
• Title of publication: Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(4-methylbenzoato-κ^2^<i>O</i>,<i>O</i>')copper(II) iodide hemihydrate
• Authors of publication: Tang, Chuan-Mei; Deng, Guo-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1111 - m1112
• a: 14.6698 ± 0.0004 Å
• b: 15.3588 ± 0.0004 Å
• c: 15.4224 ± 0.0007 Å
• α: 100.943 ± 0.002°
• β: 114.345 ± 0.002°
• γ: 111.996 ± 0.002°
• Cell volume: 2680.64 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes