Information card for entry 7702891

Structure parameters

• Chemical name: data_Rubim_OH2_2
• Formula: C21 H19 B2 F8 N7 O Ru
• Calculated formula: C21 H19 B2 F8 N7 O Ru
• Title of publication: A mononuclear ruthenium complex showing multiple proton-coupled electron transfer toward multi-electron transfer reactions.
• Authors of publication: Okamura, Masaya; Yoshida, Masaki; Kuga, Reiko; Sakai, Ken; Kondo, Mio; Masaoka, Shigeyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 42
• Pages of publication: 13081 - 13089
• a: 10.0573 ± 0.0038 Å
• b: 15.8424 ± 0.006 Å
• c: 16.3412 ± 0.0066 Å
• α: 90°
• β: 105.971 ± 0.0051°
• γ: 90°
• Cell volume: 2503.2 ± 1.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No