Information card for entry 4514731

Structure parameters

• Formula: C26 H36 Br4 Hg2 N4
• Calculated formula: C26 H36 Br4 Hg2 N4
• SMILES: C1(N(c2ccccc2N1C(C)C)C(C)C)=[Hg]=C1N(c2ccccc2N1C(C)C)C(C)C.Br[Hg](Br)([Br-])[Br-]
• 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: 18.486 ± 0.004 Å
• b: 9.2309 ± 0.0019 Å
• c: 20.682 ± 0.004 Å
• α: 90°
• β: 106.8 ± 0.03°
• γ: 90°
• Cell volume: 3378.6 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1232
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2224
• Weighted residual factors for all reflections included in the refinement: 0.2533
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.9626 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No