Information card for entry 4077739

Structure parameters

• Common name: [PtCl2((S,S)-2a)] (5a)
• Formula: C73 H66 Cl6 Fe2 O4 P4 Pt2
• Calculated formula: C73 H66 Cl6 Fe2 O4 P4 Pt2
• SMILES: [Pt]1([P@@]([c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([P@]1(c1ccccc1OC)c1ccccc1)[cH]7[cH]8[cH]9[cH]%102)(c1ccccc1OC)c1ccccc1)(Cl)Cl.ClCCl
• Title of publication: Ferrocenyl Diphosphines Containing Stereogenic Phosphorus Atoms. Synthesis and Application in the Rhodium-Catalyzed Asymmetric Hydrogenation
• Authors of publication: Maienza, Francesca; Wörle, Michael; Steffanut, Pascal; Mezzetti, Antonio; Spindler, Felix
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1041
• a: 14.0951 ± 0.0005 Å
• b: 16.8149 ± 0.0006 Å
• c: 29.3881 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6965.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0676
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections: 0.1029
• Weighted residual factors for significantly intense reflections: 0.0947
• Goodness-of-fit parameter for all reflections: 0.985
• Goodness-of-fit parameter for significantly intense reflections: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No