Information card for entry 4066875

Structure parameters

• Formula: C43 H57 B Cl F4 N3 Os
• Calculated formula: C43 H57 B Cl F4 N3 Os
• SMILES: [Os]12345(Cl)([NH2]c6ccccc6)(=C6N(C=CN6c6c(C(C)C)cccc6C(C)C)c6c(C(C)C)cccc6C(C)C)[c]6([cH]1[cH]2[c]3(C)[cH]4[cH]56)C(C)C.[B](F)(F)(F)[F-]
• Title of publication: C−C Bond Activation of the NHC Ligand of an Osmium−Amido Complex
• Authors of publication: Bolaño, Tamara; Buil, María L.; Esteruelas, Miguel A.; Izquierdo, Susana; Lalrempuia, Ralte; Oliván, Montserrat; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4517
• a: 10.2084 ± 0.0015 Å
• b: 19.096 ± 0.003 Å
• c: 11.1508 ± 0.0017 Å
• α: 90°
• β: 110.698 ± 0.003°
• γ: 90°
• Cell volume: 2033.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No