Information card for entry 7022309

Structure parameters

• Formula: C26 H24 Cl4 Hg2 N4
• Calculated formula: C26 H24 Cl4 Hg2 N4
• SMILES: C1=[N](c2cc(ccc2)C)[Hg]2([Cl][Hg]3([n]4c(cccc4)C=[N]3c3cc(ccc3)C)([Cl]2)Cl)(Cl)[n]2c1cccc2
• 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: 7.7944 ± 0.0009 Å
• b: 8.4673 ± 0.001 Å
• c: 21.336 ± 0.002 Å
• α: 90°
• β: 95.221 ± 0.002°
• γ: 90°
• Cell volume: 1402.3 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No