Information card for entry 4512662

Structure parameters

• Formula: C26 H27 Cl2 Cu2 N13 O8
• Calculated formula: C26 H27 Cl2 Cu2 N13 O8
• SMILES: [Cu]123[Cu]([n]4ccn5c4c4[n]1ccn4CC5)([n]1c4n(CCn5c4[n]3cc5)cc1)[n]1c3c4[n]2ccn4CCn3cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC
• 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: 11.2261 ± 0.0005 Å
• b: 11.5771 ± 0.0005 Å
• c: 14.337 ± 0.0007 Å
• α: 111.278 ± 0.004°
• β: 95.599 ± 0.004°
• γ: 110.426 ± 0.004°
• Cell volume: 1572.58 ± 0.15 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No