Information card for entry 4325008

Structure parameters

• Formula: C22 H32 B10 Cl2 N2 O2
• Calculated formula: C22 H32 B10 Cl2 N2 O2
• SMILES: ClC[C@@H](NC(=O)[C]1234[BH]567[BH]891[BH]1%104[BH]4%113[BH]326[BH]265[BH]543[BH]342[BH]81([BH]%10%1153)[C]7964C(=O)N[C@H](CCl)Cc1ccccc1)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: 9.7591 ± 0.001 Å
• b: 10.1277 ± 0.001 Å
• c: 15.0464 ± 0.0015 Å
• α: 94.212 ± 0.001°
• β: 102.301 ± 0.001°
• γ: 94.304 ± 0.001°
• Cell volume: 1442.8 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No