Information card for entry 4346788

Structure parameters

• Formula: C42 H61 Cu N4 O2
• Calculated formula: C42 H61 Cu N4 O2
• SMILES: [Cu](OC(=O)C)N(C(=N\c1c(cccc1C(C)C)C(C)C)\c1n(cc[n+]1C1CCCCC1)C1CCCCC1)c1c(cccc1C(C)C)C(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: 11.0595 ± 0.0003 Å
• b: 11.2633 ± 0.0003 Å
• c: 16.7977 ± 0.0005 Å
• α: 98.483 ± 0.001°
• β: 104.632 ± 0.001°
• γ: 102.303 ± 0.001°
• Cell volume: 1932.69 ± 0.09 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 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: 0.0553
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No