Information card for entry 4302486

Structure parameters

• Formula: C25 H26 Cl2 Hg N4
• Calculated formula: C25 H26 Cl2 Hg N4
• SMILES: [Hg]12(Cl)(Cl)[N](=C(c3[n]1c(ccc3)C(=[N]2c1ccc(cc1)C)C)C)c1ccc(cc1)C.N#CC
• Title of publication: Syntheses and Structures of Blue-Luminescent Mercury(II) Complexes with 2,6-Bis(imino)pyridyl Ligands
• Authors of publication: Ruiqing Fan; Yulin Yang; Yanbin Yin; WuLiJi Hasi; Ying Mu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6034 - 6043
• a: 21.8046 ± 0.0014 Å
• b: 14.8059 ± 0.001 Å
• c: 16.8208 ± 0.0012 Å
• α: 90°
• β: 101.477 ± 0.001°
• γ: 90°
• Cell volume: 5321.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No