Information card for entry 7007805

Structure parameters

• Formula: C174.72 H153.64 B4 F16 P8 Pd2 S16
• Calculated formula: C174.722 H153.639 B4 F16 P8 Pd2 S16
• Title of publication: A series of complexes of the phosphorus-based TTF ligand o-P2 with the metal ions Fe(II), Co(II), Ni(II), Pd(II), Pt(II), and Ag(I).
• Authors of publication: Uzelmeier, Calvin E.; Smucker, Bradley W.; Reinheimer, Eric W.; Shatruk, Mikhail; O'Neal, Amanda W; Fourmigué, Marc; Dunbar, Kim R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 44
• Pages of publication: 5259 - 5268
• a: 24.549 ± 0.005 Å
• b: 14.287 ± 0.005 Å
• c: 15.527 ± 0.005 Å
• α: 90 ± 0.005°
• β: 127.4 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4326 ± 2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1204
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.2248
• Weighted residual factors for all reflections included in the refinement: 0.244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No