Information card for entry 4088527

Structure parameters

• Formula: C52 H76 F6 O6 P4 Rh2 S2
• Calculated formula: C52 H76 F6 O6 P4 Rh2 S2
• SMILES: C12c3c(cccc3)[P](C(C)C)(C(C)C)[RhH]32([O]=S(O[RhH]24(C(c5c(cccc5)[P]2(C(C)C)C(C)C)c2c([P]4(C(C)C)C(C)C)cccc2)[O]=S(O3)(=O)C(F)(F)F)(C(F)(F)F)=O)[P](c2c1cccc2)(C(C)C)C(C)C
• Title of publication: Ligand Attachment Chemistry in the Preparation of PCsp3P and PCsp2P Complexes of Rhodium
• Authors of publication: Logan, Jessamyn R.; Piers, Warren E.; Borau-Garcia, Javier; Spasyuk, Denis M.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 9
• Pages of publication: 1279
• a: 12.3021 ± 0.0004 Å
• b: 12.5264 ± 0.0003 Å
• c: 26.0389 ± 0.0007 Å
• α: 90°
• β: 134.925 ± 0.001°
• γ: 90°
• Cell volume: 2841.06 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No