Information card for entry 4346787

Structure parameters

• Formula: C30 H38 N4
• Calculated formula: C30 H38 N4
• SMILES: n1(c([n+](cc1)C1CCCCC1)C(=N\c1ccc(cc1)C)/[N-]c1ccc(cc1)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: 11.4131 ± 0.0007 Å
• b: 17.0066 ± 0.0011 Å
• c: 14.0901 ± 0.0009 Å
• α: 90°
• β: 106.045 ± 0.002°
• γ: 90°
• Cell volume: 2628.3 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 3
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No