Information card for entry 4350290

Structure parameters

• Formula: C25 H23 F3 N4 O6 Ru S2
• Calculated formula: C25 H23 F3 N4 O6 Ru S2
• Title of publication: Efficient energy conversion in photochromic ruthenium DMSO complexes.
• Authors of publication: Rachford, Aaron A.; Petersen, Jeffrey L.; Rack, Jeffrey J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 5953 - 5960
• a: 12.8467 ± 0.0008 Å
• b: 8.7029 ± 0.0005 Å
• c: 24.2627 ± 0.0015 Å
• α: 90°
• β: 94.079 ± 0.001°
• γ: 90°
• Cell volume: 2705.8 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• 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: 0.0602
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No