Information card for entry 2214532

Structure parameters

• Chemical name: Diiodidobis[(E)-1-(2-pyridylmethylene)thiosemicarbazone-κS]mercury(II)
• Formula: C14 H16 Hg I2 N8 S2
• Calculated formula: C14 H16 Hg I2 N8 S2
• SMILES: [Hg](I)(I)([S]=C(N)N/N=C/c1ccccn1)[S]=C(N)N/N=C/c1ccccn1
• Title of publication: Diiodidobis[(<i>E</i>)-1-(2-pyridylmethylene)thiosemicarbazone-κ<i>S</i>]mercury(II)
• Authors of publication: Fan, Ying-Ju; Ma, Jian-Ping; Sun, Zhong-Xi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2044 - m2044
• a: 18.973 ± 0.005 Å
• b: 7.0494 ± 0.0017 Å
• c: 17.454 ± 0.004 Å
• α: 90°
• β: 103.137 ± 0.003°
• γ: 90°
• Cell volume: 2273.3 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes