Information card for entry 4510547

Structure parameters

• Formula: C52 H60 Cl8 Hg2 N4 S10
• Calculated formula: C50 H58 Cl4 Hg2 N4 S10
• Title of publication: Synthesis of a Self-Assembled Hg(II)-Dithiocarbamate Metallomacrocycle
• Authors of publication: Guzmán-Percástegui, Edmundo; Zakharov, Lev N.; Alvarado-Rodríguez, José G.; Carnes, Matthew E.; Johnson, Darren W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 2087
• a: 13.637 ± 0.002 Å
• b: 14.171 ± 0.002 Å
• c: 17.781 ± 0.003 Å
• α: 91.749 ± 0.003°
• β: 93.012 ± 0.002°
• γ: 111.296 ± 0.002°
• Cell volume: 3192.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No