Information card for entry 1569447

Structure parameters

• Formula: C73.51 H70.28 B2 N4.76 O2 Ru S2
• Calculated formula: C73.516 H70.274 B2 N4.758 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: 22.0479 ± 0.0008 Å
• b: 14.2689 ± 0.0006 Å
• c: 22.3824 ± 0.0009 Å
• α: 90°
• β: 119.173 ± 0.001°
• γ: 90°
• Cell volume: 6148.3 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No