Information card for entry 1517649

Structure parameters

• Formula: C16 H18 N2 O4 S Zn
• Calculated formula: C16 H18 N2 O4 S Zn
• Title of publication: Eight coordination compounds based on a reduced Schiff base tetraaminodiphenol macrocyclic ligand
• Authors of publication: Ying-Ying Liu; Jie Liu; Jin Yang; Bo Liu; Jian-Fang Ma
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 403
• Pages of publication: 85 - 96
• a: 16.739 ± 0.002 Å
• b: 9.557 ± 0.004 Å
• c: 20.295 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3246.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No