Information card for entry 4512664

Structure parameters

• Formula: C36 H36 Cu2 F12 N12 P2
• Calculated formula: C36 H36 Cu2 F12 N12 P2
• SMILES: c1ccccc1.c12n3CCn4c2[n](cc4)[Cu]24[Cu]([n]1cc3)([n]1c3n(cc1)CCn1cc[n]2c31)[n]1ccn2c1c1[n]4ccn1CC2.[P](F)(F)(F)(F)(F)[F-].c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 13.3566 ± 0.0002 Å
• b: 26.8329 ± 0.0005 Å
• c: 12.1604 ± 0.0002 Å
• α: 90°
• β: 105.069 ± 0.002°
• γ: 90°
• Cell volume: 4208.38 ± 0.13 ų
• Cell temperature: 290.81 ± 0.1 K
• Ambient diffraction temperature: 290.81 ± 0.1 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: 0.0344
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No