Information card for entry 4346790

Structure parameters

• Formula: C96 H121 Cl8 Cu2 N12 O2
• Calculated formula: C96 H121 Cl8 Cu2 N12 O2
• SMILES: [Cu]123[Cu]([N](=C(N1c1ccc(cc1)C)c1n(cc[n+]1C1CCCCC1)C1CCCCC1)c1ccc(cc1)C)([N](=C(N2c1ccc(cc1)C)c1n(cc[n+]1C1CCCCC1)C1CCCCC1)c1ccc(cc1)C)[N](=C(N3c1ccc(cc1)C)c1n(cc[n+]1C1CCCCC1)C1CCCCC1)c1ccc(cc1)C.[O-]C(=O)C.ClCCl.ClCCl.ClCCl.ClCCl
• 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: 17.3087 ± 0.0007 Å
• b: 24.7043 ± 0.001 Å
• c: 26.6237 ± 0.0012 Å
• α: 90°
• β: 90.907 ± 0.002°
• γ: 90°
• Cell volume: 11382.8 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.142
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2581
• Weighted residual factors for all reflections included in the refinement: 0.2856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No