Information card for entry 4349365

Structure parameters

• Formula: C26 H39 Cl F6 O7 Os P2 S2
• Calculated formula: C26 H39 Cl F6 O7 Os P2 S2
• SMILES: [OsH4]12(Cl)[P](c3c4[O]2c2c(c4ccc3)cccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)(O)C(F)(F)F
• Title of publication: mer, fac, and Bidentate Coordination of an Alkyl-POP Ligand in the Chemistry of Nonclassical Osmium Hydrides.
• Authors of publication: Esteruelas, Miguel A.; García-Yebra, Cristina; Martín, Jaime; Oñate, Enrique
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 676 - 683
• a: 16.2471 ± 0.001 Å
• b: 21.4146 ± 0.0013 Å
• c: 10.2694 ± 0.0006 Å
• α: 90°
• β: 104.662 ± 0.001°
• γ: 90°
• Cell volume: 3456.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No