Information card for entry 7025390

Structure parameters

• Formula: C55 H74 Cl4 Hg5 N12 O16 S6
• Calculated formula: C55 H66 Cl4 Hg5 N12 O16 S6
• Title of publication: A synthetic model of Hg(II) sequestration.
• Authors of publication: Viehweg, Julie A.; Stamps, Sarah M.; Dertinger, Jennifer J.; Green, Robert L.; Harris, Katherine E.; Butcher, Raymond J.; Andriole, Erica J.; Poutsma, J. C.; Berry, Steven M.; Bebout, Deborah C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 13
• Pages of publication: 3174 - 3176
• a: 13.772 ± 0.004 Å
• b: 11.538 ± 0.003 Å
• c: 23.107 ± 0.007 Å
• α: 90°
• β: 94.385 ± 0.005°
• γ: 90°
• Cell volume: 3661 ± 1.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• 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: 0.071
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No