Information card for entry 4066626

Structure parameters

• Formula: C28.5 H77 B4 F16 N12 O1.5 Ru4
• Calculated formula: C28.5 H66 B4 F16 N12 O1.5 Ru4
• Title of publication: Synthesis of Ruthenium Polyhydride Clusters with 1,4,7-Triazacyclononane-Type Ligands: Stereo and Electronic Effects of Ancillary Ligands
• Authors of publication: Namura, Kyo; Kakuta, Satoshi; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 19
• Pages of publication: 4305
• a: 11.9546 ± 0.0005 Å
• b: 21.077 ± 0.0008 Å
• c: 20.2021 ± 0.0008 Å
• α: 90°
• β: 93.99 ± 0.0013°
• γ: 90°
• Cell volume: 5077.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No