Information card for entry 7007804

Structure parameters

• Formula: C170 H152 B4 F16 Ni2 P8 S16
• Calculated formula: C170 H152 B4 F16 Ni2 P8 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: 24.677 ± 0.002 Å
• b: 14.322 ± 0.0013 Å
• c: 15.4465 ± 0.0013 Å
• α: 90°
• β: 127.169 ± 0.01°
• γ: 90°
• Cell volume: 4350.2 ± 0.9 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: 0.1048
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No