Information card for entry 4308860

Structure parameters

• Formula: C22 H28 Hg N2 O2 S2
• Calculated formula: C22 H28 Hg N2 O2 S2
• SMILES: [Hg]1(Sc2ccccc2C(=[O]1)NC(C)(C)C)Sc1ccccc1C(=O)NC(C)(C)C
• 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: 10.943 ± 0.004 Å
• b: 15.062 ± 0.005 Å
• c: 17.238 ± 0.007 Å
• α: 82.15 ± 0.03°
• β: 86.89 ± 0.03°
• γ: 85.89 ± 0.03°
• Cell volume: 2804.5 ± 1.8 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: 0.1804
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No