Information card for entry 7232176

Structure parameters

• Formula: C31 H26 Cl2 F6 N5 O P Ru
• Calculated formula: C31 H26 Cl2 F6 N5 O P Ru
• 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: 8.7151 ± 0.0013 Å
• b: 13.061 ± 0.002 Å
• c: 27.254 ± 0.004 Å
• α: 90°
• β: 94.409 ± 0.002°
• γ: 90°
• Cell volume: 3093.1 ± 0.8 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: 0.1963
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No