Information card for entry 1512449

Structure parameters

• Formula: C35 H31 F12 N5 P2
• Calculated formula: C35 H31 F12 N5 P2
• SMILES: n1(Cc2ccccc2)c2ccccc2[n+](c1)Cc1nc(ccc1)Cn1c[n+](c2c1cccc2)Cc1ccccc1.[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: 9.2329 ± 0.0002 Å
• b: 40.1567 ± 0.0007 Å
• c: 10.8913 ± 0.0002 Å
• α: 90°
• β: 120.529 ± 0.001°
• γ: 90°
• Cell volume: 3478.3 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0968
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No