Information card for entry 7024196

Structure parameters

• Chemical name: [Pd(PP3)2]Br2.2CHCl3
• Formula: C88 H84 Br2 Cl12 P8 Pd
• Calculated formula: C88 H84 Br2 Cl12 P8 Pd
• SMILES: C1C[P](c2ccccc2)([Pd]2([P]1(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1)[P](CC[P]2(c1ccccc1)c1ccccc1)(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1)c1ccccc1.[Br-].ClC(Cl)Cl.ClC(Cl)Cl.[Br-].ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Tripodal polyphosphine ligands as inductors of chelate ring-opening processes in mononuclear palladium(II) and platinum(II) compounds. The X-ray crystal structure of two derivatives containing dangling phosphorus.
• Authors of publication: Fernández-Anca, Damián; García-Seijo, M Inés; García-Fernández, M Esther
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 2327 - 2336
• a: 14.947 ± 0.003 Å
• b: 18.07 ± 0.004 Å
• c: 17.514 ± 0.004 Å
• α: 90°
• β: 94.043 ± 0.004°
• γ: 90°
• Cell volume: 4718.6 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1376
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No