Information card for entry 1551672

Structure parameters

• Formula: C56 H20 B D60 F4 O23 Ru2
• Calculated formula: C56 H80 B F4 O23 Ru2
• Title of publication: Synthesis and Crystal Structure of Aqua Adduct of Dinuclear Ruthenium(II,III) 3,4,5-Tri(ethoxy-d5)benzoate Tetrafluoroborate
• Authors of publication: ISHIDA, Hideaki; HANDA, Makoto; MIKURIYA, Masahiro
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2014
• Journal volume: 30
• Journal issue: 0
• Pages of publication: 9
• a: 27.243 ± 0.004 Å
• b: 10.485 ± 0.0015 Å
• c: 23.115 ± 0.003 Å
• α: 90°
• β: 100.789 ± 0.003°
• γ: 90°
• Cell volume: 6485.9 ± 1.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No