Information card for entry 4316209

Structure parameters

• Formula: C22 H10 F10 N2 Se2 Zn
• Calculated formula: C22 H10 F10 N2 Se2 Zn
• SMILES: [Zn]([Se]c1c(F)c(F)c(F)c(F)c1F)([Se]c1c(F)c(F)c(F)c(F)c1F)([n]1ccccc1)[n]1ccccc1
• 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: 9.3073 ± 0.0005 Å
• b: 17.0503 ± 0.0009 Å
• c: 14.8291 ± 0.0008 Å
• α: 90°
• β: 100.02 ± 0.001°
• γ: 90°
• Cell volume: 2317.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No