Information card for entry 7702725

Structure parameters

• Formula: C21 H26 B F4 Fe N2 O2 P
• Calculated formula: C21 H26 B F4 Fe N2 O2 P
• Title of publication: Highly electron rich alkyl- and dialkyl-N-pyrrolidinyl phosphines: an evaluation of their electronic and structural properties
• Authors of publication: Clarke, Matthew L.; Holliday, Gemma L.; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 1093
• a: 11.662 ± 0.0002 Å
• b: 14.6306 ± 0.0001 Å
• c: 13.7467 ± 0.0003 Å
• α: 90°
• β: 97.238 ± 0.001°
• γ: 90°
• Cell volume: 2326.8 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0629
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No