Information card for entry 7700625

Structure parameters

• Formula: C82 H96 Ag4 Br4 Cl4 N12
• Calculated formula: C82 H96 Ag4 Br4 Cl4 N12
• Title of publication: Synthesis and structural characterization of 20-membered macrocyclic rings bearing trans-chelating bis(N-heterocyclic carbene) ligands and the catalytic activity of their palladium(ii) complexes.
• Authors of publication: Thapa, Rajesh; Kilyanek, Stefan M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 33
• Pages of publication: 12577 - 12590
• a: 31.67 ± 0.04 Å
• b: 10.719 ± 0.017 Å
• c: 25.17 ± 0.04 Å
• α: 90°
• β: 105.24 ± 0.02°
• γ: 90°
• Cell volume: 8244 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.2037
• Weighted residual factors for all reflections included in the refinement: 0.2256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No