Information card for entry 7103628

Structure parameters

• Formula: C33 H49.25 N6
• Calculated formula: C33 H46.839 N6
• Title of publication: A new entry to N-heterocyclic carbene chemistry: synthesis and characterisation of a triscarbene complex of thallium(I)
• Authors of publication: Nakai, Hidetaka; Tang, Yongjun; Gantzel, Peter; Meyer, Karsten
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 24 - 25
• a: 12.0758 ± 0.0007 Å
• b: 11.131 ± 0.0006 Å
• c: 23.7831 ± 0.0014 Å
• α: 90°
• β: 100.509 ± 0.001°
• γ: 90°
• Cell volume: 3143.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No