Information card for entry 4325005

Structure parameters

• Formula: C22 H30 B10 N2 O2
• Calculated formula: C22 H30 B10 N2 O2
• SMILES: [BH]1234[BH]567[BH]891[BH]1%105[BH]5%118[BH]8%12%13[BH]%142([BH]2%158[BH]61([BH]%105%122)[C]37%14%15C1=N[C@H](CO1)Cc1ccccc1)[C]49%11%13C1=N[C@H](CO1)Cc1ccccc1
• 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: 12.2405 ± 0.001 Å
• b: 6.6058 ± 0.0005 Å
• c: 31.33 ± 0.003 Å
• α: 90°
• β: 99.54 ± 0.001°
• γ: 90°
• Cell volume: 2498.3 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No