Information card for entry 2243443

Structure parameters

• Chemical name: Bis(3,5-dinitrobenzoato)(ethane-1,2-diamine)zinc(II)
• Formula: C16 H14 N6 O12 Zn
• Calculated formula: C16 H14 N6 O12 Zn
• SMILES: [Zn]1(OC(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)(OC(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)[NH2]CC[NH2]1
• Title of publication: Crystal structure and Hirshfeld surface analysis of the orthorhombic polymorph of a Zn^II^ complex with 3,5-dinitrobenzoic acid and ethylenediamine
• Authors of publication: Ibragimov, Avazbek; Ashurov, Jamshid; Dusmatov, Aziz; Ibragimov, Aziz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 7
• Pages of publication: 1113 - 1116
• a: 10.26799 ± 0.00006 Å
• b: 18.26557 ± 0.0001 Å
• c: 21.67365 ± 0.00012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4064.91 ± 0.04 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• 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: 0.0324
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes