Information card for entry 7015941

Structure parameters

• Formula: C55 H63 Ag F3 N3 O3 S
• Calculated formula: C55 H63 Ag F3 N3 O3 S
• SMILES: [Ag]123([N](=C(c4[n]1c(ccc4)C(=[N]2c1cc(ccc1C(C)(C)C)C(C)(C)C)c1ccccc1)c1ccccc1)c1cc(ccc1C(C)(C)C)C(C)(C)C)[cH]1cc(cc[cH]31)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Novel pincer complexes of Ag(I), coordination of toluene and their comparison with indium analogues.
• Authors of publication: Jurca, Titel; Gorelsky, Serge I.; Korobkov, Ilia; Richeson, Darrin S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4394 - 4396
• a: 11.1617 ± 0.0005 Å
• b: 15.355 ± 0.0006 Å
• c: 16.026 ± 0.0007 Å
• α: 76.361 ± 0.002°
• β: 78.113 ± 0.002°
• γ: 69.665 ± 0.002°
• Cell volume: 2479.56 ± 0.19 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: 0.0695
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No