Information card for entry 1559921

Structure parameters

• Formula: C42 H38 Cl4 Hg2 N4
• Calculated formula: C42 H38 Cl4 Hg2 N4
• SMILES: n1c(c2c(cc(cc2C)C)C)[nH]c(c2ccccc2)c1c1ccc(cc1)c1[n](c([nH]c1c1ccccc1)c1c(cc(cc1C)C)C)[Hg]1(Cl)[Cl][Hg]([Cl]1)(Cl)[n]1c(c2c(cc(cc2C)C)C)[nH]c(c2ccccc2)c1c1ccc(cc1)c1[n](c([nH]c1c1ccccc1)c1c(cc(cc1C)C)C)[Hg]1(Cl)[Cl][Hg]([Cl]1)Cl
• Title of publication: Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes
• Authors of publication: Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde
• Journal of publication: Industrial & Engineering Chemistry Research
• Year of publication: 2020
• Journal volume: 59
• Journal issue: 52
• Pages of publication: 22398 - 22412
• a: 14.1838 ± 0.0004 Å
• b: 16.5506 ± 0.0005 Å
• c: 18.2325 ± 0.0005 Å
• α: 90°
• β: 107.324 ± 0.001°
• γ: 90°
• Cell volume: 4085.9 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0528
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No