Information card for entry 4063530

Structure parameters

• Formula: C31 H34 F3 N O4 P Rh S2
• Calculated formula: C31 H34 F3 N O4 P Rh S2
• SMILES: [Rh]1234([P](N(S(=[O]1)C(C)(C)C)Cc1ccccc1)(c1ccccc1)c1ccccc1)[CH]1=[CH]2C2CC1[CH]3=[CH]42.S(=O)(=O)(C(F)(F)F)[O-]
• 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: 9.7222 ± 0.0005 Å
• b: 32.6857 ± 0.0014 Å
• c: 10.6449 ± 0.0005 Å
• α: 90°
• β: 113.619 ± 0.001°
• γ: 90°
• Cell volume: 3099.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No