Information card for entry 1563323

Structure parameters

• Common name: SIT_105_150K
• Formula: C16 H18 Cl N O3.25 Os
• Calculated formula: C16 H18 Cl N O3.25 Os
• Title of publication: Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells
• Authors of publication: Infante-Tadeo, Sonia; Rodriguez, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 12.3794 ± 0.0004 Å
• b: 12.3794 ± 0.0004 Å
• c: 17.8331 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2366.77 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No