Information card for entry 1563319

Structure parameters

• Common name: SIT_100_150K
• Formula: C18 H18 Cl N O2 Os
• Calculated formula: C18 H18 Cl N O2 Os
• SMILES: [cH]12[c]3([cH]4[cH]5[cH]6[cH]1[Os]123456(Cl)[n]2c3c(cccc3ccc2)O1)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: 15.5999 ± 0.0004 Å
• b: 7.8848 ± 0.0003 Å
• c: 25.8551 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3180.23 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No