Information card for entry 7039592

Structure parameters

• Formula: C81 H64 Ag Cl N2 O2
• Calculated formula: C81 H64 Ag Cl N2 O2
• Title of publication: Pentiptycene-based concave NHC-metal complexes.
• Authors of publication: Savka, Roman; Foro, Sabine; Plenio, Herbert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 11015 - 11024
• a: 11.8068 ± 0.0006 Å
• b: 14.7394 ± 0.0007 Å
• c: 22.52 ± 0.001 Å
• α: 90°
• β: 101.746 ± 0.005°
• γ: 90°
• Cell volume: 3837 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.2084
• Weighted residual factors for all reflections included in the refinement: 0.2379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No