Information card for entry 1512451

Structure parameters

• Chemical name: 1,2-Bis(1H-imidazolium-3-ylmethyl)benzene dibromide
• Formula: C14 H16 Br2 N4
• Calculated formula: C14 H16 Br2 N4
• SMILES: [Br-].[Br-].[nH]1c[n+](cc1)Cc1ccccc1Cn1cc[nH+]c1
• 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: 15.4206 ± 0.0005 Å
• b: 13.8314 ± 0.0004 Å
• c: 16.7964 ± 0.0006 Å
• α: 90°
• β: 120.924 ± 0.002°
• γ: 90°
• Cell volume: 3073.23 ± 0.18 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: 0.0443
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No