Information card for entry 7058214

Structure parameters

• Formula: C12 H20 N6 O3 Zn
• Calculated formula: C12 H20 N6 O3 Zn
• Title of publication: Crystal structure, spectroscopic, DNA binding studies and DFT calculations of a Zn(ii) complex
• Authors of publication: Mondal, Satyajit; Chakraborty, Moumita; Mondal, Antu; Pakhira, Bholanath; Mukhopadhyay, Subhra Kanti; Banik, Avishek; Sengupta, Swaraj; Chattopadhyay, Shyamal Kumar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 14
• Pages of publication: 5466
• a: 9.599 ± 0.003 Å
• b: 15.509 ± 0.005 Å
• c: 10.397 ± 0.003 Å
• α: 90°
• β: 90.795 ± 0.009°
• γ: 90°
• Cell volume: 1547.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No