Information card for entry 2205575

Structure parameters

• Chemical name: Di-μ~2~-Iodo-bis[(1,10-phenanthroline-κ^2^N,N')copper(I)] acetonitrile solvate
• Formula: C26 H19 Cu2 I2 N5
• Calculated formula: C26 H19 Cu2 I2 N5
• SMILES: [I]3[Cu]14([I][Cu]234[n]3cccc4ccc5c(c34)[n]2ccc5)[n]2c3c(ccc2)ccc2ccc[n]1c32.C(#N)C
• Title of publication: Di-μ~2~-Iodo-bis[(1,10-phenanthroline-κ^2^N,N')copper(I)] acetonitrile solvate
• Authors of publication: Zhou, Xiao-Ping; Li, Dan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m654 - 1m655
• a: 10.492 ± 0.0006 Å
• b: 23.6166 ± 0.0013 Å
• c: 10.6391 ± 0.0006 Å
• α: 90°
• β: 91.436 ± 0.001°
• γ: 90°
• Cell volume: 2635.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No