Information card for entry 4346792

Structure parameters

• Formula: C164 H188 B2 Cl10 Cu2 N12
• Calculated formula: C164 H188 B2 Cl10 Cu2 N12
• 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.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)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: 13.7885 ± 0.0006 Å
• b: 17.509 ± 0.0008 Å
• c: 32.0772 ± 0.0015 Å
• α: 96.989 ± 0.001°
• β: 101.869 ± 0.001°
• γ: 93.112 ± 0.001°
• Cell volume: 7497.2 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 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: 0.0731
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No