Information card for entry 4071485

Structure parameters

• Formula: C37 H51 Cl N2 Os
• Calculated formula: C37 H51 Cl N2 Os
• SMILES: [OsH]12345(Cl)(=C6N(C=CN6c6c(C(C)C)cccc6C(C)C)c6c(C(C)C)cccc6C(C)C)[c]6(C(C)C)[cH]1[cH]2[c]3(C)[cH]4[cH]56
• Title of publication: Preparation, X-ray Structure, and Reactivity of an Osmium-Hydroxo Complex Stabilized by an N-Heterocyclic Carbene Ligand: A Base-Free Catalytic Precursor for Hydrogen Transfer from 2-Propanol to Aldehydes
• Authors of publication: Castarlenas, Ricardo; Esteruelas, Miguel A.; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3240
• a: 16.127 ± 0.003 Å
• b: 12.312 ± 0.003 Å
• c: 18.753 ± 0.004 Å
• α: 90°
• β: 114.684 ± 0.005°
• γ: 90°
• Cell volume: 3383.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No