Information card for entry 4334975

Structure parameters

• Formula: C30 H46 F3 N O4 Os P2 S
• Calculated formula: C30 H46 F3 N O4 Os P2 S
• SMILES: [OsH3]12([P](c3c4[O]2c2c(C(c4ccc3)(C)C)cccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)[N]#CC.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: POP-Pincer Osmium-Polyhydrides: Head-to-Head (Z)-Dimerization of Terminal Alkynes
• Authors of publication: Joaquín Alós; Tamara Bolaño; Miguel A. Esteruelas; Montserrat Oliván; Enrique Oñate; Marta Valencia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6199 - 6213
• a: 12.7693 ± 0.0008 Å
• b: 22.3242 ± 0.0015 Å
• c: 12.9072 ± 0.0009 Å
• α: 90°
• β: 112.11 ± 0.001°
• γ: 90°
• Cell volume: 3408.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No