Information card for entry 7232179

Structure parameters

• Formula: C31 H24 Cl F6 N5 O8 Ru S2
• Calculated formula: C31 H24 Cl F6 N5 O8 Ru S2
• Title of publication: Photoisomerization and thermal isomerization of ruthenium aqua complexes with chloro-substituted asymmetric bidentate ligands
• Authors of publication: Hirahara, Masanari; Goto, Hiroki; Yamamoto, Rei; Yagi, Masayuki; Umemura, Yasushi
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 2002
• a: 16.77 ± 0.006 Å
• b: 17.343 ± 0.007 Å
• c: 11.916 ± 0.005 Å
• α: 90°
• β: 101.073 ± 0.006°
• γ: 90°
• Cell volume: 3401 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.257
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No