Information card for entry 4302482

Structure parameters

• Formula: C48 H47 Cl4 Hg2 N9
• Calculated formula: C48 H47 Cl4 Hg2 N9
• SMILES: [Hg]12(Cl)(Cl)[N](=C(c3[n]1c(ccc3)C(=[N]2c1ccccc1)C)C)c1ccccc1.N#CC.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: 8.983 ± 0.0018 Å
• b: 12.591 ± 0.003 Å
• c: 22.783 ± 0.005 Å
• α: 92.14 ± 0.03°
• β: 97.3 ± 0.03°
• γ: 93.55 ± 0.03°
• Cell volume: 2548.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No