Information card for entry 1564810

Structure parameters

• Formula: C19 H16 I N5 O8 Ru S3
• Calculated formula: C19 H16 I0.954 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: 8.4103 ± 0.0018 Å
• b: 12.454 ± 0.003 Å
• c: 14.17 ± 0.003 Å
• α: 105.337 ± 0.005°
• β: 98.52 ± 0.005°
• γ: 90.33 ± 0.004°
• Cell volume: 1414 ± 0.5 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: 0.1476
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2279
• Weighted residual factors for all reflections included in the refinement: 0.2791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No