Information card for entry 7039144

Structure parameters

• Formula: C40 H64 B2 Cu2 N8
• Calculated formula: C40 H64 B2 Cu2 N8
• Title of publication: Catalyst design based on agostic interactions: synthesis, characterization, and catalytic activity of bis(pyrazolyl)borate copper complexes.
• Authors of publication: Cao, Hou-Ji; Zhao, Qianyi; Zhang, Qian-Fan; Li, Jiaxuan; Hamilton, Ewan J. M.; Zhang, Jie; Wang, Lai-Sheng; Chen, Xuenian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10194 - 10199
• a: 20.5734 ± 0.0014 Å
• b: 18.8925 ± 0.0014 Å
• c: 10.6494 ± 0.0007 Å
• α: 90°
• β: 98.618 ± 0.002°
• γ: 90°
• Cell volume: 4092.5 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No