Information card for entry 7007800

Structure parameters

• Formula: C134 H113 Ag2 F12 N3 P10 S16
• Calculated formula: C134 H113 Ag2 F12 N3 P10 S16
• SMILES: [Ag]12([P](C3=C([P]1(c1ccccc1)c1ccccc1)SC(=C1SC(=C(S1)C)C)S3)(c1ccccc1)c1ccccc1)[P](C1=C([P]2(c2ccccc2)c2ccccc2)SC(S1)=C1SC(=C(S1)C)C)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].CC#N.N#CC
• 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: 25.098 ± 0.013 Å
• b: 21.265 ± 0.011 Å
• c: 26.793 ± 0.014 Å
• α: 90°
• β: 109.509 ± 0.011°
• γ: 90°
• Cell volume: 13479 ± 12 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1886
• Residual factor for significantly intense reflections: 0.1001
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.2303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No