Information card for entry 7046009

Structure parameters

• Formula: C121.5 H106 Cu3 N6 O21.5
• Calculated formula: C121.5 H106 Cu3 N6 O21.5
• Title of publication: Modulating p-hydroxycinnamate behavior as a ditopic linker or photoacid in copper(ii) complexes with an auxiliary pyridine ligand.
• Authors of publication: Soldevila-Sanmartín, Joan; Calvet, Teresa; Font-Bardia, Merce; Domingo, Concepción; Ayllón, José A; Pons, Josefina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 18
• Pages of publication: 6479 - 6493
• a: 12.9562 ± 0.0006 Å
• b: 15.7183 ± 0.0007 Å
• c: 16.1429 ± 0.0007 Å
• α: 78.243 ± 0.002°
• β: 71.856 ± 0.002°
• γ: 66.888 ± 0.002°
• Cell volume: 2860.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2201
• Weighted residual factors for all reflections included in the refinement: 0.2534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No