Information card for entry 7011653

Structure parameters

• Formula: C14 H10 Cu I N4 O2
• Calculated formula: C14 H10 Cu I N4 O2
• 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: 14.819 ± 0.005 Å
• b: 15.055 ± 0.005 Å
• c: 15.475 ± 0.007 Å
• α: 90°
• β: 117.819 ± 0.015°
• γ: 90°
• Cell volume: 3053 ± 2 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No