Information card for entry 7022305

Structure parameters

• Formula: C24 H20 Br4 Hg2 N4
• Calculated formula: C24 H20 Br4 Hg2 N4
• SMILES: C1=[N](c2ccccc2)[Hg]2(Br)([n]3c1cccc3)[Br][Hg]1([n]3c(cccc3)C=[N]1c1ccccc1)([Br]2)Br
• 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: 8.03383 ± 0.00016 Å
• b: 8.9441 ± 0.0002 Å
• c: 10.0091 ± 0.0003 Å
• α: 106.595 ± 0.003°
• β: 100.732 ± 0.002°
• γ: 99.5612 ± 0.0019°
• Cell volume: 658.57 ± 0.03 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 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: 0.0424
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No