Information card for entry 7712107

Structure parameters

• Formula: C33 H43 Cl2 Hg2 N O4
• Calculated formula: C33 H43 Cl2 Hg2 N O4
• Title of publication: On the mercuration, palladation, transmetalation and direct auration of a C^N^C pincer ligand.
• Authors of publication: McEllin, Alice Jane; Goult, Christopher A.; Whitwood, Adrian C.; Lynam, Jason M.; Bruce, Duncan W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 872 - 876
• a: 14.0415 ± 0.0006 Å
• b: 18.4352 ± 0.0007 Å
• c: 27.089 ± 0.0009 Å
• α: 90°
• β: 104.177 ± 0.004°
• γ: 90°
• Cell volume: 6798.6 ± 0.5 ų
• Cell temperature: 110.05 ± 0.1 K
• Ambient diffraction temperature: 110.05 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No