Information card for entry 7004885

Structure parameters

• Common name: (Phosphinephosphonate)Pd(DCP-OMe)
• Formula: C101 H106 O12 P6 Pd3
• Calculated formula: C101 H106 O12 P6 Pd3
• SMILES: [Pd]123([P](c4c(P(=O)(O1)O)cccc4)(c1ccccc1)c1ccccc1)[CH]1=[CH]2[C@@H]2[C@H](C1)[C@@H]1[C@@H](OC)[C@H]3[C@H]2C1.Cc1ccccc1.[Pd]123([P](c4c(P(=O)(O1)O)cccc4)(c1ccccc1)c1ccccc1)[CH]1=[CH]2[C@H]2[C@@H](C1)[C@H]1[C@H](OC)[C@@H]3[C@@H]2C1.Cc1ccccc1
• Title of publication: Novel palladium complexes employing mixed phosphine phosphonates and phosphine phosphinates as anionic chelating [P,O] ligands.
• Authors of publication: Reisinger, Corinna M.; Nowack, Rüdiger J; Volkmer, Dirk; Rieger, Bernhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 2
• Pages of publication: 272 - 278
• a: 16.955 ± 0.003 Å
• b: 33.696 ± 0.007 Å
• c: 18.155 ± 0.004 Å
• α: 90°
• β: 116.24 ± 0.03°
• γ: 90°
• Cell volume: 9303 ± 4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1329
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2618
• Weighted residual factors for all reflections included in the refinement: 0.2887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No