Information card for entry 7013296

Structure parameters

• Formula: C28 H28 F6 N6 O2 P3 Rh
• Calculated formula: C28 H28 F6 N6 O2 P3 Rh
• SMILES: [Rh]12([P](n3c(C(=[O]1)C)ccc3)(n1cccc1)n1cccc1)[P](n1c(C(=[O]2)C)ccc1)(n1cccc1)n1cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and reactivity of rhodium(i) complexes containing keto-functionalised N-pyrrolyl phosphine ligands
• Authors of publication: Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Palmer, Mark T.; Senia, Francesco; Varrone, Maurizio
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 3717
• a: 9.023 ± 0.0001 Å
• b: 20.447 ± 0.0002 Å
• c: 17.333 ± 0.0002 Å
• α: 90°
• β: 101.572 ± 0.0006°
• γ: 90°
• Cell volume: 3132.82 ± 0.06 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• 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: 0.0361
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No