Information card for entry 7102303

Structure parameters

• Formula: C58 H36 Br2 Cu2 F12 N14 P2
• Calculated formula: C58 H36 Br2 Cu2 F12 N14 P2
• Title of publication: Minimal structural reorganisation in the electrochemical oxidation of a dinuclear, double helical Cu(I) complex of a triazine-based pentadentate ligand
• Authors of publication: Medlycott, Elaine A.; Hanan, Garry S.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 46
• Pages of publication: 4884 - 4886
• a: 17.2216 ± 0.0015 Å
• b: 27.92 ± 0.002 Å
• c: 13.7457 ± 0.0012 Å
• α: 90°
• β: 98.733 ± 0.004°
• γ: 90°
• Cell volume: 6532.7 ± 1 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1386
• Residual factor for significantly intense reflections: 0.1034
• Weighted residual factors for significantly intense reflections: 0.3117
• Weighted residual factors for all reflections included in the refinement: 0.33
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No