Information card for entry 7008425

Structure parameters

• Formula: C54 H72 Ag4 Au Cl4 F21 N2 O10
• Calculated formula: C54 H72 Ag4 Au Cl4 F21 N2 O10
• SMILES: [Au]123(c4c(c(c(c(c4F)Cl)F)Cl)F)(c4c(c(c(c(c4F)Cl)F)Cl)F)[Ag]4567[Ag]891([Ag]12([Ag]36([O]=C(O1)C(F)(F)F)([O]=C(O4)C(F)(F)F)[O]=C([O]58)C(F)(F)F)[O]=C(O9)C(F)(F)F)[O]=C(O7)C(F)(F)F.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: A step forward in gold-silver metallophilicity. An AuAg4 moiety with a square pyramidal arrangement.
• Authors of publication: Fernandez, Eduardo J.; Laguna, Antonio; Lopez-de-Luzuriaga, Jose M; Monge, Miguel; Montiel, Manuel; Olmos, M. Elena; Perez, Javier; Puelles, Raquel C.; Saenz, Juan C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 7
• Pages of publication: 1162 - 1164
• a: 19.2046 ± 0.0002 Å
• b: 17.4577 ± 0.0002 Å
• c: 24.2007 ± 0.0003 Å
• α: 90°
• β: 101.637 ± 0.0006°
• γ: 90°
• Cell volume: 7946.95 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0731
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No