Information card for entry 1564811

Structure parameters

• Formula: C19 H12 I N5 O8 Ru S3
• Calculated formula: C19 H12 I0.953 N5 O8 Ru S3
• Title of publication: Single-Crystal Optical Actuation Generated by 100% SO2 Linkage Photoisomerization in a Ruthenium-Based Coordination Complex
• Authors of publication: Cole, Jacqueline M.; Gosztola, David J.; de J. Velazquez-Garcia, Jose; Wang, SuYin Grass; Chen, Yu-Sheng
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2021
• Journal volume: 125
• Journal issue: 36
• Pages of publication: 20059 - 20066
• a: 8.3091 ± 0.001 Å
• b: 12.5928 ± 0.0016 Å
• c: 13.8952 ± 0.0018 Å
• α: 99.446 ± 0.003°
• β: 97.962 ± 0.003°
• γ: 90.617 ± 0.003°
• Cell volume: 1419.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2732
• Residual factor for significantly intense reflections: 0.1111
• Weighted residual factors for significantly intense reflections: 0.2666
• Weighted residual factors for all reflections included in the refinement: 0.3471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No