Information card for entry 7113599

Structure parameters

• Formula: C79 H70.5 B4 Cu4 F16 N27.5 O8
• Calculated formula: C79 H70.5 B4 Cu4 F16 N27.5 O8
• Title of publication: Control of molecular architecture by the degree of deprotonation: self-assembled di- and tetranuclear copper(II) complexes of N,N'-bis(2-pyridylmethyl)pyrazine-2,3-dicarboxamide
• Authors of publication: Hausmann, Julia; Jameson, Geoffrey B.; Brooker, Sally
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 2992 - 2993
• a: 15.189 ± 0.003 Å
• b: 15.191 ± 0.003 Å
• c: 20.048 ± 0.004 Å
• α: 90°
• β: 90.41 ± 0.03°
• γ: 90°
• Cell volume: 4625.7 ± 1.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.1952
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103902
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No