Information card for entry 1576811

Structure parameters

• Formula: C11 H17 Cl6 N2 O2 Ru
• Calculated formula: C11 H17 Cl6 N2 O2 Ru
• Title of publication: Unraveling the coordination isomerism by ligand hyperfine NMR shifts
• Authors of publication: Cidlinská, Dora; Chyba, Jan; Munzarova, Marketa; Yurenko, Yevgen P.; Novotny, Jan; Marek, Radek
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 15.33347 ± 0.00012 Å
• b: 8.93579 ± 0.00007 Å
• c: 15.08676 ± 0.00013 Å
• α: 90°
• β: 108.379 ± 0.0009°
• γ: 90°
• Cell volume: 1961.7 ± 0.03 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No