Information card for entry 7022470

Structure parameters

• Formula: C51 H50 F6 Hg N6 O7 S2
• Calculated formula: C51 H49 F6 Hg N6 O7 S2
• 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: 10.8176 ± 0.0006 Å
• b: 18.1757 ± 0.0011 Å
• c: 25.9297 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5098.2 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0476
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No