Information card for entry 2241288

Structure parameters

• Chemical name: (1<i>S</i>,2<i>S</i>,3<i>S</i>,5<i>R</i>)-(+)-Dichlorido[<i>N</i>-(pyridin-2-ylmethylidene)isopinocampheylamine-κ^2^<i>N</i>,<i>N</i>']mercury(II)
• Formula: C16 H22 Cl2 Hg N2
• Calculated formula: C16 H22 Cl2 Hg N2
• SMILES: [Hg]1(Cl)(Cl)[n]2ccccc2C=[N]1[C@@H]1[C@H]([C@@H]2C[C@H](C1)C2(C)C)C
• Title of publication: Crystal structures of three mercury(II) complexes [HgCl~2~<i>L</i>] where <i>L</i> is a bidentate chiral imine ligand
• Authors of publication: Hernández, Guadalupe; Bernès, Sylvain; Portillo, Oscar; Ruíz, Alejandro; Moreno, Gloria E.; Gutiérrez, René
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: 1462 - 1466
• a: 10.216 ± 0.003 Å
• b: 7.392 ± 0.002 Å
• c: 23.352 ± 0.006 Å
• α: 90°
• β: 97.459 ± 0.014°
• γ: 90°
• Cell volume: 1748.5 ± 0.8 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes