Information card for entry 7006298

Structure parameters

• Formula: C39 H45 F6 O Os P3
• Calculated formula: C39 H41 F6 O Os P3
• SMILES: [Os]12345([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)(=C=C)[c]1(C)[c]2([c]3(C)[c]4([c]51C)C)C.[P](F)(F)(F)(F)(F)[F-].CO
• Title of publication: Syntheses, structures and redox properties of some complexes containing the Os(dppe)Cp* fragment, including [{Os(dppe)Cp*}2(mu-C triple bondCC triple bond C)].
• Authors of publication: Bruce, Michael I.; Costuas, Karine; Davin, Thomas; Halet, Jean-François; Kramarczuk, Kathy A.; Low, Paul J.; Nicholson, Brian K.; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; Smith, Mark E.; White, Allan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 46
• Pages of publication: 5387 - 5399
• a: 11.724 ± 0.001 Å
• b: 17.36 ± 0.002 Å
• c: 18.5 ± 0.002 Å
• α: 90°
• β: 103.3 ± 0.002°
• γ: 90°
• Cell volume: 3664.3 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.069
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections: 0.98
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No