Information card for entry 4339808

Structure parameters

• Formula: C57 H62 Cl6 Hg2 N4 S4
• Calculated formula: C57 H62 Cl6 Hg2 N4 S4
• Title of publication: Exploring the interaction of mercury(II) by N(2)S(2) and NS(3) anthracene-containing macrocyclic ligands: photophysical, analytical, and structural studies.
• Authors of publication: Tamayo, Abel; Pedras, Bruno; Lodeiro, Carlos; Escriche, Lluis; Casabó, Jaume; Capelo, José Luis; Covelo, Berta; Kivekäs, Raikko; Sillanpää, Reijo
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7818 - 7826
• a: 10.1828 ± 0.0002 Å
• b: 17.5508 ± 0.0004 Å
• c: 18.1227 ± 0.0005 Å
• α: 113.443 ± 0.001°
• β: 99.491 ± 0.002°
• γ: 99.598 ± 0.001°
• Cell volume: 2832.55 ± 0.12 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: 0.062
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No