Information card for entry 7238470

Structure parameters

• Common name: (Pd(PP2PO)Cl)(S(CH3)3(CH2)3(SO3)).4H2O
• Chemical name: [Pd(PP2PO)Cl][S(CH3)3(CH2)3(SO3)].4H2O
• Formula: C48 H57 Cl O8 P4 Pd S2
• Calculated formula: C48 H57 Cl O8 P4 Pd S2
• Title of publication: Transition of trigonal-bipyramidal to square-planar geometries by oxidation of a coordinated tripodal polyphosphine in Pd(ii) and Pt(ii) complexes
• Authors of publication: Fernández-Anca, Damián; García-Seijo, M. Inés; García-Fernández, M. Esther
• Journal of publication: RSC Adv.
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 1404
• a: 36.211 ± 0.005 Å
• b: 14.7523 ± 0.0019 Å
• c: 20.89 ± 0.003 Å
• α: 90°
• β: 106.565 ± 0.003°
• γ: 90°
• Cell volume: 10696 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1715
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No