Information card for entry 4003015

Structure parameters

• Formula: C11 H23 Cl2 N5 O3 Ru S
• Calculated formula: C11 H15 Cl2 N5 O3 Ru S
• SMILES: [Ru]([O]=S=O)([NH3])([NH3])([NH3])([NH3])[n]1cc(ccc1)c1ccccc1.[Cl-].[Cl-].O
• Title of publication: Light-Induced Macroscopic Peeling of Single Crystal Driven by Photoisomeric Nano-Optical Switching
• Authors of publication: Cole, Jacqueline M.; Velazquez-Garcia, Jose de J.; Gosztola, David J.; Wang, SuYin Grass; Chen, Yu-Sheng
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4927
• a: 9.224 ± 0.003 Å
• b: 7.117 ± 0.002 Å
• c: 14.262 ± 0.005 Å
• α: 90°
• β: 99.945 ± 0.005°
• γ: 90°
• Cell volume: 922.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No