Information card for entry 4346785

Structure parameters

• Formula: C40 H58 N4
• Calculated formula: C40 H58 N4
• SMILES: n1(c([n+](cc1)C1CCCCC1)C(=N\c1c(cccc1C(C)C)C(C)C)\[N-]c1c(cccc1C(C)C)C(C)C)C1CCCCC1
• 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: 18.5722 ± 0.0006 Å
• b: 11.27 ± 0.0005 Å
• c: 17.4935 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3661.5 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No