Information card for entry 7055957

Structure parameters

• Formula: C11 H23 N3 O5 S Zn2
• Calculated formula: C11 H23 N3 O5 S Zn2
• Title of publication: Design, structures and study of non-covalent interactions of mono-, di-, and tetranuclear complexes of a bifurcated quadridentate tripod ligand, N-(aminopropyl)-diethanolamine
• Authors of publication: Sama, Farasha; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Nagaraja, C. M.; Shahid, M.; Kumar, Abhinav; Khan, Kulsum; Siddiqi, Zafar A.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 1959
• a: 8.6719 ± 0.0007 Å
• b: 10.0649 ± 0.0007 Å
• c: 11.3026 ± 0.0007 Å
• α: 89.096 ± 0.005°
• β: 79.802 ± 0.006°
• γ: 65.87 ± 0.007°
• Cell volume: 884.33 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0465
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No