Information card for entry 1563318

Structure parameters

• Common name: SIT_107_3_150K
• Formula: C9 H12 Cl2 O Os
• Calculated formula: C9 H12 Cl2 O Os
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]6[c]71CCC[OH][Os]234567(Cl)Cl
• 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: 13.5256 ± 0.001 Å
• b: 9.3193 ± 0.0005 Å
• c: 16.0284 ± 0.0012 Å
• α: 90°
• β: 90.59 ± 0.004°
• γ: 90°
• Cell volume: 2020.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0404
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No