Information card for entry 7048199

Structure parameters

• Formula: C86 H115 Ag2 F12 N13 P2
• Calculated formula: C86 H115 Ag2 F12 N13 P2
• Title of publication: Metalation behavior of a bis-saturated NHC ligand with a flexible m-xylyl linker.
• Authors of publication: Quezada-Miriel, Magdalena; Ochoa-Sanfelice, J Rubén; Mendoza-Tellez, Sebastian; Martinez-Otero, Diego; Asay, Matthew
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 48
• Pages of publication: 17382 - 17391
• a: 11.8752 ± 0.0002 Å
• b: 12.8426 ± 0.0002 Å
• c: 15.1054 ± 0.0002 Å
• α: 94.7901 ± 0.0005°
• β: 99.9807 ± 0.0005°
• γ: 100.92 ± 0.0005°
• Cell volume: 2211.58 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No