Information card for entry 4121834

Structure parameters

• Chemical name: tris(tetraphenylphosphonium) hexacyanoruthenate(III)
• Formula: C84 H68.68 Cl15.32 N6 P3 Ru
• Calculated formula: C84 H67 Cl15.322 N6 P3 Ru
• Title of publication: Influence of electronic spin and spin-orbit coupling on decoherence in mononuclear transition metal complexes.
• Authors of publication: Graham, Michael J.; Zadrozny, Joseph M.; Shiddiq, Muhandis; Anderson, John S.; Fataftah, Majed S.; Hill, Stephen; Freedman, Danna E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 21
• Pages of publication: 7623 - 7626
• a: 24.7221 ± 0.0009 Å
• b: 15.0978 ± 0.0006 Å
• c: 25.3767 ± 0.0013 Å
• α: 90°
• β: 114.465 ± 0.001°
• γ: 90°
• Cell volume: 8621.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.09 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0985
• 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