Information card for entry 1520103

Structure parameters

• Chemical name: CuNPy3NO3
• Formula: C34.5 H24 Cu N5.5 O5.62
• Calculated formula: C34.5 H24 Cu N5.5 O5.625
• Title of publication: Facile redox state manipulation in Cu(i) frameworks by utilisation of the redox-active 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: 2015
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 15297 - 15303
• a: 9.077 ± 0.0016 Å
• b: 13.831 ± 0.002 Å
• c: 32.773 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4114.5 ± 1.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 17
• Hermann-Mauguin space group symbol: P 2 2 21
• Hall space group symbol: P 2c 2
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.1071
• Weighted residual factors for significantly intense reflections: 0.3008
• Weighted residual factors for all reflections included in the refinement: 0.3179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No