Information card for entry 7022304

Structure parameters

• Formula: C26 H24 Hg2 N16
• Calculated formula: C26 H24 Hg2 N16
• SMILES: c1([N]2=Cc3cccc[n]3[Hg]32(N=N#N)[N](=N#N)[Hg]2([n]4c(cccc4)C=[N]2c2ccc(cc2)C)(N=N#N)[N]3=N#N)ccc(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: 6.6753 ± 0.0002 Å
• b: 10.3614 ± 0.0003 Å
• c: 11.5961 ± 0.0004 Å
• α: 71.528 ± 0.003°
• β: 73.693 ± 0.003°
• γ: 78.321 ± 0.003°
• Cell volume: 724.43 ± 0.04 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.0424
• 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