Information card for entry 7033180

Structure parameters

• Chemical name: Iodo-[1,1,1-tris(pyrid-2-yl)ethane]copper(I) hemi-acetonitrile solvate
• Formula: C18 H16.5 Cu I N3.5
• Calculated formula: C18 H16.5 Cu I N3.5
• Title of publication: Synthesis and coordination chemistry of 1,1,1-tris-(pyrid-2-yl)ethane.
• Authors of publication: Santoro, Amedeo; Sambiagio, Carlo; McGowan, Patrick C.; Halcrow, Malcolm A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1060 - 1069
• a: 15.7416 ± 0.0002 Å
• b: 12.5216 ± 0.0002 Å
• c: 17.9084 ± 0.0003 Å
• α: 90°
• β: 93.379 ± 0.001°
• γ: 90°
• Cell volume: 3523.79 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.353
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No