Information card for entry 7022308

Structure parameters

• Formula: C13 H12 Cl2 Hg N2
• Calculated formula: C13 H12 Cl2 Hg N2
• SMILES: [Hg]1(Cl)(Cl)[n]2c(cccc2)C=[N]1c1ccccc1C
• 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: 12.0247 ± 0.0016 Å
• b: 14.3877 ± 0.0019 Å
• c: 17.542 ± 0.002 Å
• α: 78.37 ± 0.002°
• β: 83.453 ± 0.002°
• γ: 78.383 ± 0.002°
• Cell volume: 2903.2 ± 0.6 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: 0.0973
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No