Information card for entry 7007802

Structure parameters

• Formula: C150 H137 Ag2 F12 N11 P8 S16 Sb2
• Calculated formula: C150 H137 Ag2 F12 N11 P8 S16 Sb2
• SMILES: [Ag]12([P](C3=C(SC(S3)=C3SC(=C(S3)C)C)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C1=C(SC(S1)=C1SC(=C(S1)C)C)[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Sb](F)(F)(F)(F)(F)[F-].N#CC.N#CC.N#CC.N#CC.C(#N)C.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: 16.527 ± 0.0011 Å
• b: 20.6653 ± 0.0015 Å
• c: 24.6469 ± 0.0018 Å
• α: 83.414 ± 0.004°
• β: 87.686 ± 0.004°
• γ: 72.71 ± 0.004°
• Cell volume: 7984.2 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1812
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No