Information card for entry 7004245

Structure parameters

• Formula: C21 H19 Hg N S2
• Calculated formula: C21 H19 Hg N S2
• SMILES: [Hg]1([S]=C(S1)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1
• Title of publication: Syntheses, crystal and molecular structures, and properties of some new phenylmercury(ii) dithiolate complexes
• Authors of publication: Singh, Nanhai; Kumar, Abhinav; Molloy, Kieran C.; Mahon, Mary F.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 37
• Pages of publication: 4999 - 5007
• a: 8.849 ± 0.0003 Å
• b: 11.681 ± 0.0005 Å
• c: 18.534 ± 0.0007 Å
• α: 80.935 ± 0.002°
• β: 85.358 ± 0.002°
• γ: 90.025 ± 0.002°
• Cell volume: 1885.47 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1011
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1836
• Weighted residual factors for all reflections included in the refinement: 0.2017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No