Information card for entry 4063533

Structure parameters

• Formula: C47 H76 F3 N2 O5 P2 Rh S3
• Calculated formula: C47 H76 F3 N2 O5 P2 Rh S3
• SMILES: [Rh]12([S](N([P]1(C1CCCCC1)C1CCCCC1)Cc1ccccc1)(=O)C(C)(C)C)[S](N([P]2(C1CCCCC1)C1CCCCC1)Cc1ccccc1)(=O)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: 15.1868 ± 0.0006 Å
• b: 17.2369 ± 0.0006 Å
• c: 19.5574 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5119.6 ± 0.3 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: 0.0402
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No