Information card for entry 2233061

Structure parameters

• Chemical name: [1,5-Bis(2-methoxyphenyl)thiocarbazonato- κ^2^<i>N</i>^5^,<i>S</i>]phenylmercury(II)
• Formula: C21 H20 Hg N4 O2 S
• Calculated formula: C21 H20 Hg N4 O2 S
• SMILES: [Hg](S/C(=N\Nc1ccccc1OC)N=Nc1ccccc1OC)c1ccccc1
• Title of publication: [1,5-Bis(2-methoxyphenyl)thiocarbazonato-κ^2^<i>N</i>^1^,<i>S</i>]phenylmercury(II)
• Authors of publication: von Eschwege, Karel; Muller, Fabian; Muller, Alfred
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1804
• a: 15.2113 ± 0.0016 Å
• b: 18.273 ± 0.0018 Å
• c: 7.4649 ± 0.0008 Å
• α: 90°
• β: 90.106 ± 0.002°
• γ: 90°
• Cell volume: 2074.9 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• 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: 0.0442
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes