Information card for entry 7023013

Structure parameters

• Formula: C22 H28 F6 Fe N6 O6 P2 S2
• Calculated formula: C22 H28 F6 Fe N6 O6 P2 S2
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)n1n[nH+]c(p1)C(C)(C)C)n1n[nH+]c(p1)C(C)(C)C.FC(S(=O)(=O)[O-])(F)F.FC(F)(F)S(=O)(=O)[O-]
• Title of publication: The facile assembly of bis-, tris- and poly(triazaphosphole) systems using "click" chemistry.
• Authors of publication: Choong, Sam L.; Nafady, Ayman; Stasch, Andreas; Bond, Alan M.; Jones, Cameron
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 7775 - 7780
• a: 6.5273 ± 0.0001 Å
• b: 7.2151 ± 0.0001 Å
• c: 16.4648 ± 0.0003 Å
• α: 97.988 ± 0.002°
• β: 90.106 ± 0.002°
• γ: 96.513 ± 0.002°
• Cell volume: 762.81 ± 0.02 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0555
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No