Information card for entry 7113598

Structure parameters

• Formula: C79 H60 B4 Cu4 F16 N27.5 O8
• Calculated formula: C79 H60 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: 21.4502 ± 0.0005 Å
• b: 21.4616 ± 0.0005 Å
• c: 19.922 ± 0.0005 Å
• α: 90°
• β: 90.156 ± 0.002°
• γ: 90°
• Cell volume: 9171.2 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103901
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No