Information card for entry 7022312

Structure parameters

• Formula: C13 H12 Hg I2 N2
• Calculated formula: C13 H12 Hg I2 N2
• SMILES: c12cccc[n]2[Hg](I)(I)[N](=C1)c1ccc(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: 7.7545 ± 0.0001 Å
• b: 9.9076 ± 0.0002 Å
• c: 10.9202 ± 0.0002 Å
• α: 76.8887 ± 0.001°
• β: 83.9298 ± 0.001°
• γ: 76.6521 ± 0.001°
• Cell volume: 793.78 ± 0.02 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: 0.0443
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No