Information card for entry 4512663

Structure parameters

• Formula: C30 H29 B2 Cu2 F9 N12
• Calculated formula: C30 H29.01 B2 Cu2 F8.99 N12
• 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: 15.0849 ± 0.0002 Å
• b: 15.0849 ± 0.0002 Å
• c: 15.0849 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3432.63 ± 0.08 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 213
• Hermann-Mauguin space group symbol: P 41 3 2
• Hall space group symbol: P 4bd 2ab 3
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No