Information card for entry 7009434

Structure parameters

• Chemical name: Hg(OAc)(imypyimy)(PF6)
• Formula: C15 H17 F12 Hg N5 O2 P2
• Calculated formula: C15 H17 F12 Hg N5 O2 P2
• SMILES: [Hg](OC(=O)C)=C1N(C=CN1c1nc(n2c[n+](cc2)C)ccc1)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: The first dicarbene double helical mercury complex
• Authors of publication: Chen, Jack C. C.; Lin, Ivan J. B.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 839
• a: 13.786 ± 0.002 Å
• b: 11.755 ± 0.002 Å
• c: 16.049 ± 0.003 Å
• α: 90°
• β: 108.433 ± 0.003°
• γ: 90°
• Cell volume: 2467.4 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• 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: 0.0524
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No