Information card for entry 4325007

Structure parameters

• Formula: C14 H32 B10 Br2 N2 O2
• Calculated formula: C14 H32 B10 Br2 N2 O2
• Title of publication: m-Carborane-Based Chiral NBN Pincer-Metal Complexes: Synthesis, Structure, and Application in Asymmetric Catalysis
• Authors of publication: Mohamed E. El-Zaria; Hidekazu Arii; Hiroyuki Nakamura
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4149 - 4161
• a: 21.6668 ± 0.0017 Å
• b: 21.6668 ± 0.0017 Å
• c: 10.4424 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4902.2 ± 0.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No