Information card for entry 4082024

Structure parameters

• Formula: C15 H26 B Cl2 Cr N2
• Calculated formula: C15 H26 B Cl2 Cr N2
• SMILES: [Cr]123456(Cl)(Cl)[N](=C(N([B]71=[CH]2[C]3(=[CH]4[C]5(=[CH]67)C)C)C(C)C)C)C(C)C
• Title of publication: Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium
• Authors of publication: Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6166
• a: 8.907 ± 0.004 Å
• b: 14.937 ± 0.007 Å
• c: 15.214 ± 0.007 Å
• α: 103.623 ± 0.008°
• β: 97.051 ± 0.009°
• γ: 93.087 ± 0.009°
• Cell volume: 1945.1 ± 1.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1453
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.2235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No