Information card for entry 7012827

Structure parameters

• Formula: C23 H27 N5 O
• Calculated formula: C23 H27 N5 O
• SMILES: N(Cc1nc(ccc1)NC(=O)C(C)(C)C)(Cc1ncccc1)Cc1ncccc1
• Title of publication: Internal hydrogen bonding and amide co-ordination in zinc(II) complexes of a tripodal N4 ligand: structural, spectroscopic and reactivity studies
• Authors of publication: Juan C. Mareque Rivas; Rafael Torres Martín de Rosales; Simon Parsons
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2156 - 2163
• a: 10.9702 ± 0.0009 Å
• b: 9.7048 ± 0.0008 Å
• c: 19.1103 ± 0.0015 Å
• α: 90°
• β: 90.555 ± 0.002°
• γ: 90°
• Cell volume: 2034.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No