Information card for entry 4313769

Structure parameters

• Formula: C24 H18 Cl6 Hg3 N2 S2
• Calculated formula: C24 H18 Cl6 Hg3 N2 S2
• SMILES: Cl[Hg]Cl.[Hg]1([S]2c3ccccc3Nc3c2cccc3)(Cl)[Cl][Hg]([S]2c3ccccc3Nc3c2cccc3)(Cl)[Cl]1
• Title of publication: Formation of A Novel 1D Supramolecule [HgCl2(ptz)]2.HgCl2 (ptz = Phenothiazine): A New Precursor to Submicrometer Hg2Cl2 Rods
• Authors of publication: Xuanjun Zhang; Yi Xie; Wentao Yu; Qingrui Zhao; Minhua Jiang; Yupeng Tian
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3734 - 3737
• a: 7.6754 ± 0.0009 Å
• b: 8.9193 ± 0.0013 Å
• c: 11.6438 ± 0.0012 Å
• α: 83.81 ± 0.01°
• β: 71.633 ± 0.007°
• γ: 81.765 ± 0.011°
• Cell volume: 747.05 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0605
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No