Information card for entry 1560374

Structure parameters

• Formula: C42 H57 Ag4 B4 F15.987 N27
• Calculated formula: C42 H57 Ag4 B4 F15.9867 N27
• Title of publication: The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac
• Authors of publication: Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 3170 - 3178
• a: 11.052 ± 0.003 Å
• b: 14.637 ± 0.004 Å
• c: 21.244 ± 0.005 Å
• α: 85.032 ± 0.007°
• β: 81.796 ± 0.008°
• γ: 77.855 ± 0.007°
• Cell volume: 3319.6 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.02 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: 0.085
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0461
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No