Information card for entry 2233062

Structure parameters

• Chemical name: [1,5-Bis(4-fluorophenyl)thiocarbazonato- κ^2^<i>N</i>^5^,<i>S</i>]phenylmercury(II)} dichloromethane hemisolvate
• Formula: C19.5 H15 Cl F2 Hg N4 S
• Calculated formula: C19.5 H15 Cl F2 Hg N4 S
• SMILES: C1(N=[N](c2ccc(cc2)F)[Hg](c2ccccc2)S1)=NNc1ccc(cc1)F.C(Cl)Cl
• Title of publication: [1,5-Bis(4-fluorophenyl)thiocarbazonato-κ^2^<i>N</i>^5^,<i>S</i>]phenylmercury(II) dichloromethane hemisolvate
• Authors of publication: von Eschwege, Karel G.; Muller, Fabian; Muller, Alfred
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1858 - m1859
• a: 31.996 ± 0.003 Å
• b: 10.1889 ± 0.0009 Å
• c: 26.892 ± 0.002 Å
• α: 90°
• β: 116.818 ± 0.001°
• γ: 90°
• Cell volume: 7824 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes