Information card for entry 1569446

Structure parameters

• Formula: C73.5 H70.26 B2 N4.75 O2 Ru S2
• Calculated formula: C73.504 H70.256 B2 N4.752 O2 Ru S2
• Title of publication: Photocrystallography of [Ru(bpy)2(dmso)2]2+ reveals an O-bonded metastable state
• Authors of publication: Marr, Zoe Y.; Thapa Magar, Rajani; Fournier, Bertrand; Benedict, Jason B.; Rack, Jeffrey J.
• Journal of publication: Chemical Science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 26
• Pages of publication: 7279 - 7284
• a: 22.0253 ± 0.0007 Å
• b: 14.2617 ± 0.0005 Å
• c: 22.4081 ± 0.0008 Å
• α: 90°
• β: 119.274 ± 0.001°
• γ: 90°
• Cell volume: 6139.9 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.064
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No