Information card for entry 7026235

Structure parameters

• Formula: C22 H30 F6 N2 O P Rh
• Calculated formula: C22 H30 F6 N2 O P Rh
• SMILES: [Rh]12345([N](=Cc6c1cccc6)CCOC)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[N]#CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Alkyne insertion into cyclometallated pyrazole and imine complexes of iridium, rhodium and ruthenium; relevance to catalytic formation of carbo- and heterocycles.
• Authors of publication: Boutadla, Youcef; Davies, David L.; Al-Duaij, Omar; Fawcett, John; Jones, Rachel C.; Singh, Kuldip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 43
• Pages of publication: 10447 - 10457
• a: 11.765 ± 0.0005 Å
• b: 17.6433 ± 0.0007 Å
• c: 24.003 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4982.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No