Information card for entry 7705634

Structure parameters

• Formula: C54 H62 B2 F8 N2 O3.7 Ru S2
• Calculated formula: C54 H62 B2 F8 N2 O3.7 Ru S2
• Title of publication: Probing the electronic structure of [Ru(L¹)₂]^<i>Z</i> (<i>z</i> = 0, 1+ and 2+) (H₂L¹: a tridentate 2-aminophenol derivative) complexes in three ligand redox levels.
• Authors of publication: Saha, Anannya; Rajput, Amit; Gupta, Puneet; Mukherjee, Rabindranath
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 15355 - 15375
• a: 15.1356 ± 0.0003 Å
• b: 21.871 ± 0.0003 Å
• c: 16.8585 ± 0.0003 Å
• α: 90°
• β: 109.946 ± 0.002°
• γ: 90°
• Cell volume: 5245.92 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.2288
• Weighted residual factors for all reflections included in the refinement: 0.2324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No