Information card for entry 2229615

Structure parameters

• Chemical name: Dibromido[(1<i>R</i>,2<i>R</i>,<i>N</i>^1^<i>S</i>)-<i>N</i>-(pyridin-2- ylmethyl)cyclohexane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']cadmium
• Formula: C12 H19 Br2 Cd N3
• Calculated formula: C12 H19 Br2 Cd N3
• SMILES: [Cd]12(Br)(Br)[n]3ccccc3C[NH]1[C@@H]1CCCC[C@H]1[NH2]2
• Title of publication: Dibromido[(1<i>R</i>,2<i>R</i>,<i>N</i>^1^<i>S</i>)-<i>N</i>-(pyridin-2-ylmethyl)cyclohexane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']cadmium
• Authors of publication: Yin, Run-Ting; Cao, Zhe; Cheng, Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m392
• a: 8.7153 ± 0.0016 Å
• b: 9.1978 ± 0.0017 Å
• c: 19.759 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1583.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes