Information card for entry 7006294

Structure parameters

• Formula: C36 H39 Br Os P2
• Calculated formula: C36 H39 Br Os P2
• SMILES: [Os]12345(Br)([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)[c]1(C)[c]2(C)[c]3(C)[c]4([c]51C)C
• 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: 11.167 ± 0.001 Å
• b: 17.764 ± 0.002 Å
• c: 16.792 ± 0.002 Å
• α: 90°
• β: 109.387 ± 0.002°
• γ: 90°
• Cell volume: 3142.2 ± 0.6 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 5
• 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: 0.062
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.024
• Goodness-of-fit parameter for all reflections: 0.929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No