Information card for entry 7029049

Structure parameters

• Formula: C25 H29 Br N2 O3
• Calculated formula: C25 H29 Br N2 O3
• Title of publication: A spiroborate-based anionic bis-N-heterocyclic carbene.
• Authors of publication: Su, Jia-Hong; Lee, Gene-Hsiang; Peng, Shie-Ming; Chiu, Ching-Wen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 8
• Pages of publication: 3059 - 3062
• a: 18.758 ± 0.0018 Å
• b: 15.0409 ± 0.0014 Å
• c: 17.1991 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4852.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No