Information card for entry 4064618

Structure parameters

• Formula: C25 H28 Cl8 N O P Pt S
• Calculated formula: C25 H28 Cl8 N O P Pt S
• SMILES: C(C)(C)(C)[S]1(N(Cc2ccccc2)[P](c2ccccc2)(c2ccccc2)[Pt]1(Cl)Cl)=O.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: N-Benzyl-N-phosphino-tert-butylsulfinamide and Its Coordination Modes with Ir(I), Cu(I), Pd(II), and Pt(II): P,S or P,O?
• Authors of publication: Achard, Thierry; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C.; Riera, Antoni; Verdaguer, Xavier
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 3119
• a: 8.7583 ± 0.0009 Å
• b: 19.3409 ± 0.0019 Å
• c: 19.5065 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3304.3 ± 0.6 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: 0.0276
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No