Information card for entry 4514732

Structure parameters

• Formula: C18 H20 Hg2 I4 N4
• Calculated formula: C18 H20 Hg2 I4 N4
• SMILES: [Hg]([I][Hg](I)(I)I)(=C1N(c2c(N1C)cccc2)C)=C1N(c2c(N1C)cccc2)C
• Title of publication: Pd and Pt Catalyst Poisoning in the Study of Reaction Mechanisms: What Does the Mercury Test Mean for Catalysis?
• Authors of publication: Chernyshev, Victor M.; Astakhov, Alexander V.; Chikunov, Ilya E.; Tyurin, Roman V.; Eremin, Dmitry B.; Ranny, Gleb S.; Khrustalev, Victor N.; Ananikov, Valentine P.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 2984
• a: 10.648 ± 0.002 Å
• b: 20.021 ± 0.004 Å
• c: 12.134 ± 0.002 Å
• α: 90°
• β: 95.49 ± 0.03°
• γ: 90°
• Cell volume: 2574.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.9699 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No