Information card for entry 4329662

Structure parameters

• Formula: C48 H46 Cl6 Hg3 N6
• Calculated formula: C48 H46 Cl6 Hg3 N6
• SMILES: Cl[Hg]12[Cl][Hg]34([Cl][Hg]([n]5ccc(cc5)CN(Cc5cc[n]3cc5)[C@@H](c3cccc5ccccc35)C)(Cl)[Cl]4)([Cl]1)[n]1ccc(CN(Cc3cc[n]2cc3)[C@@H](c2cccc3ccccc23)C)cc1
• Title of publication: Anion-Controlled Circular Dichroism Spectral Changes in Hg2+ Complexes with a Chiral Bidentate Ligand
• Authors of publication: Mari Ikeda; Shunsuke Kuwahara; Shim Sung Lee; Yoichi Habata
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7022 - 7024
• a: 10.4012 ± 0.0004 Å
• b: 17.5199 ± 0.0007 Å
• c: 26.3854 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4808.2 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0661
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No