Information card for entry 7022311

Structure parameters

• Formula: C26 H24 Br4 Hg2 N4
• Calculated formula: C26 H24 Br4 Hg2 N4
• SMILES: [Hg]12([Br][Hg]3([Br]1)(Br)[n]1c(cccc1)C=[N]3c1ccc(cc1)C)(Br)[n]1c(cccc1)C=[N]2c1ccc(cc1)C
• Title of publication: The influence of counter ion and ligand methyl substitution on the solid-state structures and photophysical properties of mercury(II) complexes with (E)-N-(pyridin-2-ylmethylidene)arylamines.
• Authors of publication: Basu Baul, Tushar S.; Kundu, Sajal; Mitra, Sivaprasad; Höpfl, Herbert; Tiekink, Edward R. T.; Linden, Anthony
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1905 - 1920
• a: 8.2201 ± 0.0001 Å
• b: 17.5934 ± 0.0003 Å
• c: 10.043 ± 0.0002 Å
• α: 90°
• β: 104.689 ± 0.0009°
• γ: 90°
• Cell volume: 1404.94 ± 0.04 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No