Information card for entry 1560373

Structure parameters

• Formula: C22 H34 B4 F16 N14
• Calculated formula: C22 H34 B4 F16 N14
• 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: 10.15 ± 0.02 Å
• b: 11.83 ± 0.03 Å
• c: 15.93 ± 0.04 Å
• α: 97.92 ± 0.09°
• β: 92.65 ± 0.07°
• γ: 102.91 ± 0.07°
• Cell volume: 1841 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No