Information card for entry 7013197

Structure parameters

• Formula: C18 H29 Cl2 N5 O Zn
• Calculated formula: C18 H29 Cl2 N5 O Zn
• SMILES: [Zn]1(Cl)([N]2(Cc3[n]1c(ccc3)NC(=O)C(C)(C)C)CCN(C)CC2)Cl.N#CC
• Title of publication: Internal hydrogen bonding in tetrahedral and trigonal bipyramidal zinc(II) complexes of pyridine-based ligands
• Authors of publication: Juan C. Mareque Rivas; Emiliano Salvagni; Rafael Torres Martín de Rosales; Simon Parsons
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 3339 - 3349
• a: 7.995 ± 0.0013 Å
• b: 10.2286 ± 0.0016 Å
• c: 14.22 ± 0.002 Å
• α: 101.773 ± 0.002°
• β: 100.503 ± 0.002°
• γ: 92.944 ± 0.002°
• Cell volume: 1114.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0874
• 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