Information card for entry 7021302

Structure parameters

• Formula: C36 H31 Cl2 Cu N5 O
• Calculated formula: C36 H31 Cl2 Cu N5 O
• Title of publication: Electrochemical and optical properties of a redox-active Cu(ii) coordination framework incorporating the tris(4-(pyridin-4-yl)phenyl)amine ligand.
• Authors of publication: Hua, Carol; Turner, Peter; D'Alessandro, Deanna M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 18
• Pages of publication: 6310 - 6313
• a: 14.2786 ± 0.0006 Å
• b: 18.6712 ± 0.0007 Å
• c: 11.8323 ± 0.0004 Å
• α: 90°
• β: 92.933 ± 0.002°
• γ: 90°
• Cell volume: 3150.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.608
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No