Information card for entry 7134130

Structure parameters

• Formula: C49 H47 F3 Mn N2 O5 P S
• Calculated formula: C49 H47 F3 Mn N2 O5 P S
• Title of publication: Pushing the limits of electron donation for <i>cis</i>-chelating ligands <i>via</i> an alliance of phosphonium ylide and anionic abnormal NHC.
• Authors of publication: El Kadiri, Mustapha; Cherradi, Abdelhaq; Filippov, Oleg A.; Duhayon, Carine; César, Vincent; Shubina, Elena S.; Lahcini, Mohammed; Valyaev, Dmitry A.; Canac, Yves
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 13
• Pages of publication: 2778 - 2781
• a: 30.637 ± 0.0002 Å
• b: 8.0802 ± 0.0001 Å
• c: 35.4557 ± 0.0003 Å
• α: 90°
• β: 93.047 ± 0.001°
• γ: 90°
• Cell volume: 8764.76 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No