Information card for entry 7013200

Structure parameters

• Formula: C10 H15 Cl2 N3 O Zn
• Calculated formula: C10 H15 Cl2 N3 O Zn
• SMILES: [Zn]1(Cl)([N]2(Cc3[n]1c(ccc3)N)CCOCC2)Cl
• 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: 7.3993 ± 0.0004 Å
• b: 10.5846 ± 0.0006 Å
• c: 17.0626 ± 0.001 Å
• α: 90°
• β: 96.152 ± 0.001°
• γ: 90°
• Cell volume: 1328.62 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No