Information card for entry 1560098

Structure parameters

• Formula: C22 H34 Cl2 N2 O6 Rh2
• Calculated formula: C22 H34 Cl2 N2 O6 Rh2
• SMILES: CC(C)(C)C1N(C)[C@@H]2CCC(=O)[Rh]32([O]=1)(C#[O])[Cl][Rh]12([C@H](CCC2=O)N(C(C(C)(C)C)=[O]1)C)(C#[O])[Cl]3
• Title of publication: Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes
• Authors of publication: Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3599 - 3607
• a: 9.2163 ± 0.0004 Å
• b: 11.7129 ± 0.0005 Å
• c: 13.3216 ± 0.0005 Å
• α: 90°
• β: 108.006 ± 0.001°
• γ: 90°
• Cell volume: 1367.63 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No