Information card for entry 7022468

Structure parameters

• Formula: C36 H37 F6 Hg N3 O6 S2
• Calculated formula: C36 H30 F6 Hg N3 O6 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: 25.096 ± 0.002 Å
• b: 10.4441 ± 0.0008 Å
• c: 18.8981 ± 0.0013 Å
• α: 90°
• β: 126.654 ± 0.004°
• γ: 90°
• Cell volume: 3973.8 ± 0.6 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No