Information card for entry 4512656

Structure parameters

• Formula: C14 H17 Cu N5 O4
• Calculated formula: C14 H17 Cu N5 O4
• Title of publication: N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket
• Authors of publication: Ferguson, Jayne L.; Fitchett, Christopher M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1280
• a: 9.3775 ± 0.0006 Å
• b: 9.6247 ± 0.0006 Å
• c: 10.3197 ± 0.0006 Å
• α: 75.145 ± 0.004°
• β: 63.674 ± 0.003°
• γ: 79.154 ± 0.004°
• Cell volume: 803.92 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No