Information card for entry 7046920

Structure parameters

• Formula: C49 H45 B Cl5 N4 O Ru
• Calculated formula: C49 H45 B Cl5 N4 O Ru
• Title of publication: Electrochemical properties and C-H bond oxidation activity of [Ru(tpy)(pyalk)Cl]⁺ and [Ru(tpy)(pyalk)(OH)]<sup/>.
• Authors of publication: Nilles, Christian K.; Herath, Hashini N. K.; Fanous, Hanna; Ugrinov, Angel; Parent, Alexander R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 29
• Pages of publication: 9701 - 9708
• a: 17.924 ± 0.002 Å
• b: 14.3725 ± 0.0017 Å
• c: 17.534 ± 0.002 Å
• α: 90°
• β: 96.56 ± 0.002°
• γ: 90°
• Cell volume: 4487.4 ± 0.9 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101.12 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: 0.0931
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No