Information card for entry 4302487

Structure parameters

• Formula: C29 H34 Cl2 Hg N4
• Calculated formula: C29 H34 Cl2 Hg N4
• SMILES: [Hg]12(Cl)(Cl)[N](=C(c3[n]1c(ccc3)C(=[N]2c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)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: 16.826 ± 0.005 Å
• b: 14.98 ± 0.004 Å
• c: 23.598 ± 0.006 Å
• α: 90°
• β: 92.896 ± 0.004°
• γ: 90°
• Cell volume: 5940 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.667
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No