Information card for entry 7022469

Structure parameters

• Formula: C48 H46 Cl4 Hg2 N6
• Calculated formula: C48 H46 Cl4 Hg2 N6
• Title of publication: Effects of structures of HgX2 complexes (X = CF3SO3 and Cl) with chiral bidentate ligands on circular dichroism spectra.
• Authors of publication: Ikeda, Mari; Kuwahara, Shunsuke; Lee, Shim Sung; Habata, Yoichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 3009 - 3014
• a: 11.269 ± 0.002 Å
• b: 14.216 ± 0.003 Å
• c: 14.794 ± 0.003 Å
• α: 90°
• β: 106.79 ± 0.03°
• γ: 90°
• Cell volume: 2269 ± 0.9 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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: 0.0291
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.739
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No