Information card for entry 4346789

Structure parameters

• Formula: C32 H45 Cu N4 O2
• Calculated formula: C32 H45 Cu N4 O2
• SMILES: [Cu](OC(=O)C)N(C(=N\c1c(C(C)C)cccc1C(C)C)\c1n(C)cc[n+]1C)c1c(C(C)C)cccc1C(C)C
• Title of publication: Copper(I) Complexes of Zwitterionic Imidazolium-2-Amidinates, a Promising Class of Electroneutral, Amidinate-Type Ligands.
• Authors of publication: Márquez, Astrid; Ávila, Elena; Urbaneja, Carmen; Álvarez, Eleuterio; Palma, Pilar; Cámpora, Juan
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 11007 - 11017
• a: 10.9841 ± 0.0005 Å
• b: 17.9692 ± 0.0008 Å
• c: 16.161 ± 0.0007 Å
• α: 90°
• β: 96.057 ± 0.001°
• γ: 90°
• Cell volume: 3172 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No