Information card for entry 7021718

Structure parameters

• Common name: [CuH4(py33233)]
• Formula: C21 H53 Cl6 Cu N7 O28
• Calculated formula: C21 H53 Cl6 Cu N7 O28
• Title of publication: Homo- and heterobinuclear Cu(2+) and Zn(2+) complexes of abiotic cyclic hexaazapyridinocyclophanes as SOD mimics.
• Authors of publication: Belda, Raquel; Blasco, Salvador; Verdejo, Begoña; Jiménez, Hermas R; Doménech-Carbó, Antonio; Soriano, Conxa; Latorre, Julio; Terencio, Carmen; García-España, Enrique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 31
• Pages of publication: 11194 - 11204
• a: 8.413 ± 0.0002 Å
• b: 18.193 ± 0.0005 Å
• c: 28.491 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4360.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c 21 b
• Hall space group symbol: P -2bc -2c
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No