Information card for entry 2233970

Structure parameters

• Chemical name: Dichlorido[(1<i>R</i>,2<i>R</i>)-<i>N</i>-(pyridin-2-ylmethyl)cyclohexane- 1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']mercury(II)
• Formula: C12 H19 Cl2 Hg N3
• Calculated formula: C12 H19 Cl2 Hg N3
• SMILES: [Hg]12(Cl)(Cl)[n]3ccccc3C[NH]1[C@@H]1CCCC[C@H]1[NH2]2
• Title of publication: Dichlorido[(1<i>R</i>,2<i>R</i>)-<i>N</i>-(pyridin-2-ylmethyl)cyclohexane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']mercury(II)
• Authors of publication: Gao, Chuan-Zhu; Zhang, Xiu-Ying; Cheng, Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m235
• a: 8.5319 ± 0.0012 Å
• b: 8.8244 ± 0.0012 Å
• c: 19.688 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1482.3 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0215
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes