Information card for entry 7011650

Structure parameters

• Formula: C18 H17 B Cu F4 N6 O2.5
• Calculated formula: C18 H17 B Cu F4 N6 O2.5
• Title of publication: New U- and Y-shaped components for metallosupramolecular assemblies: synthesis and coordination chemistry of 2,6-bis(3-pyridyloxy)pyrazine
• Authors of publication: McMorran, David A.; Steel, Peter J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 3321
• a: 8.211 ± 0.007 Å
• b: 8.327 ± 0.007 Å
• c: 9.356 ± 0.006 Å
• α: 95.96 ± 0.03°
• β: 107.6 ± 0.02°
• γ: 116.67 ± 0.02°
• Cell volume: 522.9 ± 0.7 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No