Information card for entry 7103094

Structure parameters

• Common name: [2.CuCl](ClO4)
• Formula: C21 H24 Cl2 Cu N4 O4
• Calculated formula: C21 H24 Cl2 Cu N4 O4
• Title of publication: Perylenediimide‒metal ion dyads for photo-induced electron transfer.
• Authors of publication: Qvortrup, Katrine; Bond, Andrew D; Nielsen, Anne; McKenzie, Christine J; Kilså, Kristine; Nielsen, Mogens Brøndsted
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 17
• Pages of publication: 1986 - 1988
• a: 8.7106 ± 0.0011 Å
• b: 16.317 ± 0.002 Å
• c: 16.334 ± 0.002 Å
• α: 90°
• β: 104.208 ± 0.01°
• γ: 90°
• Cell volume: 2250.6 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0776
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No