Information card for entry 7113597

Structure parameters

• Formula: C20 H19 B2 Cu F8 N7 O2
• Calculated formula: C20 H19 B2 Cu F8 N7 O2
• 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: 10.5129 ± 0.0003 Å
• b: 10.7093 ± 0.0003 Å
• c: 11.9977 ± 0.0003 Å
• α: 87.84 ± 0.001°
• β: 74.272 ± 0.001°
• γ: 72.587 ± 0.001°
• Cell volume: 1239.22 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103900
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No