Information card for entry 1564809

Structure parameters

• Formula: C19 H16 I N5 O8 Ru S3
• Calculated formula: C19 H16 I0.941 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: 8.503 ± 0.003 Å
• b: 12.437 ± 0.005 Å
• c: 14.17 ± 0.006 Å
• α: 105.555 ± 0.009°
• β: 98.36 ± 0.011°
• γ: 90.075 ± 0.008°
• Cell volume: 1427 ± 1 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: 0.1774
• Residual factor for significantly intense reflections: 0.1146
• Weighted residual factors for significantly intense reflections: 0.2884
• Weighted residual factors for all reflections included in the refinement: 0.3406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No