Information card for entry 4063531

Structure parameters

• Formula: C47 H52 F3 N2 O5 P2 Rh S3
• Calculated formula: C47 H52 F3 N2 O5 P2 Rh S3
• SMILES: [Rh]12([S](=O)(N([P]1(c1ccccc1)c1ccccc1)Cc1ccccc1)C(C)(C)C)[S](=O)(N([P]2(c1ccccc1)c1ccccc1)Cc1ccccc1)C(C)(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Cationic Rhodium (I) Complexes ofN-Phosphino-tert-butylsulfinamide Ligands: Synthesis, Structure, and Coordination Modes
• Authors of publication: Achard, Thierry; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 480 - 487
• a: 16.5218 ± 0.0008 Å
• b: 16.918 ± 0.0009 Å
• c: 17.2491 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4821.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No