Information card for entry 1563317

Structure parameters

• Common name: SIT_107_03_needle_150K
• Formula: C16 H18 Cl N O3 Os
• Calculated formula: C16 H18 Cl N O3 Os
• SMILES: [cH]12[c]3([cH]4[cH]5[cH]6[cH]1[Os]123456(Cl)[n]2c(C(=O)O1)cc(cc2)C)CCCO
• 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: 5.9791 ± 0.0002 Å
• b: 18.0925 ± 0.0008 Å
• c: 14.6578 ± 0.0005 Å
• α: 90°
• β: 97.5759 ± 0.0019°
• γ: 90°
• Cell volume: 1571.79 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No