Information card for entry 4316212

Structure parameters

• Formula: C12 H10 Hg Se2
• Calculated formula: C12 H10 Hg Se2
• SMILES: [Hg]([Se]c1ccccc1)[Se]c1ccccc1
• Title of publication: Zinc, Cadmium, and Mercury Complexes with Fluorinated Selenolate Ligands
• Authors of publication: Thomas J. Emge; Michael D. Romanelli; Brian F. Moore; John G. Brennan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7304 - 7312
• a: 14.7309 ± 0.0008 Å
• b: 5.5967 ± 0.0003 Å
• c: 7.3167 ± 0.0004 Å
• α: 90°
• β: 103.399 ± 0.001°
• γ: 90°
• Cell volume: 586.8 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0192
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No