Information card for entry 4068946

Structure parameters

• Formula: C22 H20 F12 Hg N4 P2
• Calculated formula: C22 H20 F12 Hg N4 P2
• SMILES: C1c2cc(CN3C4=[Hg]=C5N1C=CN5Cc1cc(CN4C=C3)ccc1)ccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Mercury Complexes of N-Heterocyclic Carbenes Derived from Imidazolium-Linked Cyclophanes: Synthesis, Structure, and Reactivity
• Authors of publication: Baker, Murray V.; Brown, David H.; Haque, Rosenani A.; Simpson, Peter V.; Skelton, Brian W.; White, Allan H.; Williams, Charlotte C.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3793
• a: 8.451 ± 0.002 Å
• b: 9.533 ± 0.002 Å
• c: 9.622 ± 0.002 Å
• α: 62.078 ± 0.004°
• β: 64.551 ± 0.004°
• γ: 72.364 ± 0.004°
• Cell volume: 613.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0749
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No