Information card for entry 7042482

Structure parameters

• Formula: C11 H14 Br Hg2 I4 N S3
• Calculated formula: C11 H14 Br Hg2 I4 N S3
• Title of publication: The assembly of "S3N"-ligands decorated with an azo-dye as potential sensors for heavy metal ions.
• Authors of publication: Rasheed, O. K.; McDouall, J. J. W.; Muryn, C. A.; Raftery, J.; Vitorica-Yrezabal, I J; Quayle, P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 5229 - 5239
• a: 17.1949 ± 0.0011 Å
• b: 8.5255 ± 0.0005 Å
• c: 15.9682 ± 0.001 Å
• α: 90°
• β: 91.274 ± 0.006°
• γ: 90°
• Cell volume: 2340.3 ± 0.3 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No