Information card for entry 1558816

Structure parameters

• Chemical name: Bis(3,5-dinitrobenzoato-κ<i>O</i>)bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)
• Formula: C18 H22 Cd N8 O12
• Calculated formula: C18 H22 Cd N8 O12
• SMILES: [Cd]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)(OC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O)OC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O
• Title of publication: Bis(3,5-dinitrobenzoato-κ<i>O</i>)bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)
• Authors of publication: Ibragimov, Avazbek
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 7
• Pages of publication: x200843
• a: 7.191 ± 0.005 Å
• b: 8.698 ± 0.005 Å
• c: 10.987 ± 0.005 Å
• α: 112.289 ± 0.005°
• β: 92.827 ± 0.005°
• γ: 101.656 ± 0.005°
• Cell volume: 616.7 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes