Information card for entry 1512450

Structure parameters

• Formula: C14 H18 N4 O2
• Calculated formula: C14 H18 N4 O2
• SMILES: n1cn(cc1)Cc1ccccc1Cn1ccnc1.O.O
• 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: 8.0777 ± 0.0001 Å
• b: 8.7249 ± 0.0002 Å
• c: 10.8716 ± 0.0002 Å
• α: 80.703 ± 0.001°
• β: 69.877 ± 0.001°
• γ: 84.58 ± 0.001°
• Cell volume: 709.35 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No