Information card for entry 2222977

Structure parameters

• Chemical name: <i>trans</i>-Di-μ-iodido-bis[(3<i>H</i>-1,2-benzodithiole-3- thione)iodidomercury(II)]
• Formula: C14 H8 Hg2 I4 S6
• Calculated formula: C14 H8 Hg2 I4 S6
• SMILES: C1(c2c(SS1)cccc2)=[S][Hg]1([I][Hg]([I]1)(I)[S]=C1c2c(SS1)cccc2)I
• Title of publication: <i>trans</i>-Di-μ-iodido-bis[(3<i>H</i>-1,2-benzodithiole-3-thione)iodidomercury(II)]
• Authors of publication: Laifa, El Adoui; Bendjeddou, Lamia; Boudraa, Naouel; Dahaoui, Slimane; Lecomte, Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1080 - m1081
• a: 7.86285 ± 0.0001 Å
• b: 8.19304 ± 0.00011 Å
• c: 10.46506 ± 0.00013 Å
• α: 105.292 ± 0.0011°
• β: 98.3031 ± 0.001°
• γ: 105.696 ± 0.0011°
• Cell volume: 608.917 ± 0.015 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0166
• Residual factor for significantly intense reflections: 0.0154
• Weighted residual factors for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes