Information card for entry 7006295

Structure parameters

• Formula: C38 H42 F6 N Os P3
• Calculated formula: C38 H42 F6 N Os P3
• SMILES: [Os]12345([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)([N]#CC)[c]1(C)[c]2([c]3(C)[c]4([c]51C)C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 11.4255 ± 0.0006 Å
• b: 17.3798 ± 0.0008 Å
• c: 19.1554 ± 0.0009 Å
• α: 90°
• β: 104.383 ± 0.001°
• γ: 90°
• Cell volume: 3684.5 ± 0.3 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.024
• Goodness-of-fit parameter for all reflections: 0.962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No