Information card for entry 7007803

Structure parameters

• Formula: C68 H58 B2 F8 Fe N2 P4 S8
• Calculated formula: C68 H58 B2 F8 Fe N2 P4 S8
• 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: 11.44 ± 0.005 Å
• b: 13.5 ± 0.005 Å
• c: 21.5 ± 0.005 Å
• α: 89 ± 0.005°
• β: 89 ± 0.005°
• γ: 79 ± 0.005°
• Cell volume: 3259 ± 2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1672
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.759
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No