Information card for entry 4103836

Structure parameters

• Formula: C34 H40 I2 N4 Pd S4
• Calculated formula: C34 H40 I2 N4 Pd S4
• SMILES: [Pd](=C1N(C(=C(N1C)c1c(sc(c1)C)C)c1c(C)sc(c1)C)C)(=C1N(C(=C(N1C)c1c(sc(c1)C)C)c1c(C)sc(c1)C)C)(I)I
• Title of publication: Photochromic Diarylethene-Containing Ionic Liquids and N-Heterocyclic Carbenes
• Authors of publication: Vivian Wing-Wah Yam; Jason Ka-Wai Lee; Chi-Chiu Ko; Nianyong Zhu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 912 - 913
• a: 7.951 ± 0.0016 Å
• b: 11.154 ± 0.002 Å
• c: 11.492 ± 0.002 Å
• α: 103.03 ± 0.03°
• β: 91.32 ± 0.03°
• γ: 103.46 ± 0.03°
• Cell volume: 962.6 ± 0.4 ų
• Cell temperature: 263 ± 2 K
• Ambient diffraction temperature: 263 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No