Information card for entry 4308862

Structure parameters

• Formula: C28 H24 Hg N2 O2 S2
• Calculated formula: C28 H24 Hg N2 O2 S2
• SMILES: S(c1ccccc1C(=O)NCc1ccccc1)[Hg]Sc1ccccc1C(=O)NCc1ccccc1
• Title of publication: Relation between Intramolecular NH...S Hydrogen Bonds and Coordination Number in Mercury(II) Complexes with Carbamoylbenzenethiol Derivatives
• Authors of publication: Masahiro Kato; Kazunori Kojima; Taka-aki Okamura; Hitoshi Yamamoto; Takeshi Yamamura; Norikazu Ueyama
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4037 - 4044
• a: 4.696 ± 0.0013 Å
• b: 11.8346 ± 0.0018 Å
• c: 12.327 ± 0.002 Å
• α: 103.389 ± 0.013°
• β: 100.939 ± 0.018°
• γ: 92.295 ± 0.017°
• Cell volume: 651.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1286
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No