Information card for entry 7113052

Structure parameters

• Common name: tricarbene
• Formula: C107 H134 N6
• Calculated formula: C59 H86 N6
• Title of publication: Cerberus-type N-heterocyclic carbenes: synthesis and study of the first tritopic carbenes with D(3h)-symmetry.
• Authors of publication: Williams, Kyle A.; Bielawski, Christopher W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 28
• Pages of publication: 5166 - 5168
• a: 27.7357 ± 0.0015 Å
• b: 20.3898 ± 0.0013 Å
• c: 16.5894 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9381.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1577
• Residual factor for significantly intense reflections: 0.1398
• Weighted residual factors for significantly intense reflections: 0.3217
• Weighted residual factors for all reflections included in the refinement: 0.3314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.962
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No