Information card for entry 7018552

Structure parameters

• Formula: C53 H60 Ag F3 N4 O3 S
• Calculated formula: C53 H60 Ag F3 N4 O3 S
• SMILES: [Ag]12([N](=C(c3[n]2c(C(=[N]1c1c(ccc(c1)C(C)(C)C)C(C)(C)C)c1ccccc1)ccc3)c1ccccc1)c1c(ccc(c1)C(C)(C)C)C(C)(C)C)[n]1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: The interplay of metal and supporting ligand in labile coordination to pincer complexes of Ag(i).
• Authors of publication: Jurca, Titel; Ouanounou, Sarah; Gorelsky, Serge I.; Korobkov, Ilia; Richeson, Darrin S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 16
• Pages of publication: 4765 - 4771
• a: 11.1402 ± 0.0004 Å
• b: 15.4794 ± 0.0005 Å
• c: 15.6244 ± 0.0006 Å
• α: 98.249 ± 0.003°
• β: 110.516 ± 0.002°
• γ: 91.383 ± 0.002°
• Cell volume: 2489.27 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No