Information card for entry 7011673

Structure parameters

• Formula: C26 H42 F6 N4 O3 P Rh
• Calculated formula: C26 H42 F6 N4 O3 P Rh
• SMILES: [Rh]1234567[N]8(CCCC#CC)CC[N]91CCC[C]14[C]3(=O)[C]7(=[C]6(CCC[N]2(CC9)CC8)[C]5=1C)C.[P](F)(F)(F)(F)(F)[F-].CN(=O)=O
• Title of publication: Formation of a caged rhodium complex via an intramolecular, metal-mediated [2 + 2 + 1] cycloaddition of alkynes and CO
• Authors of publication: Baker, Murray V.; Brown, David H.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 2595
• a: 10.379 ± 0.001 Å
• b: 10.692 ± 0.001 Å
• c: 15.714 ± 0.002 Å
• α: 104.826 ± 0.002°
• β: 92.569 ± 0.002°
• γ: 118.094 ± 0.002°
• Cell volume: 1458.9 ± 0.3 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections: 1.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No