Information card for entry 4082019

Structure parameters

• Formula: C19 H28 B Cl2 Cr N2
• Calculated formula: C19 H28 B Cl2 Cr N2
• SMILES: [Cr]123456(Cl)(Cl)N(C(=[N]([B]71=[CH]2[CH]3=[CH]4[CH]5=[CH]67)C(C)C)C)C(C)C.c1ccccc1
• 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: 10.2938 ± 0.0011 Å
• b: 18.1574 ± 0.0019 Å
• c: 11.13 ± 0.0012 Å
• α: 90°
• β: 93.944 ± 0.002°
• γ: 90°
• Cell volume: 2075.4 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No