Information card for entry 1512452

Structure parameters

• Chemical name: 1,3-Bis(3-methylimidazolium-1-ylmethyl)pyridinemercury(II) bis(hexafluorophosphate)
• Formula: C15 H17 F12 Hg N5 P2
• Calculated formula: C15 H17 F12 Hg N5 P2
• SMILES: [Hg]12[n]3c(CN4C=1N(C=C4)C)cccc3CN1C=2N(C=C1)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Mercury(II)- and silver(I)-N-heterocyclic carbene complexes of CNC pincer-type ligands: Synthesis, crystal structures and Hofmann-type elimination studies
• Authors of publication: Srinivasa Budagumpi; Rosenani A. Haque; Abbas Washeel Salman; Mohammed Z. Ghdhayeb
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 61 - 72
• a: 8.0912 ± 0.0005 Å
• b: 9.5138 ± 0.0005 Å
• c: 14.6666 ± 0.0008 Å
• α: 73.789 ± 0.002°
• β: 80.073 ± 0.002°
• γ: 88.031 ± 0.002°
• Cell volume: 1067.77 ± 0.11 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: 0.0187
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No