Information card for entry 1563320

Structure parameters

• Common name: SIT_117_01_150K
• Formula: C23 H26 Cl F6 N2 O Os P
• Calculated formula: C23 H26 Cl F6 N2 O Os P
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]6[c]1(CCCO)[Os]123456(Cl)[n]2ccccc2C=[N]1CCc1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 7.2647 ± 0.0003 Å
• b: 19.3763 ± 0.0009 Å
• c: 17.386 ± 0.0006 Å
• α: 90°
• β: 100.473 ± 0.0019°
• γ: 90°
• Cell volume: 2406.53 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No