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Information card for entry 7039142
Preview
Coordinates | 7039142.cif |
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Original paper (by DOI) | HTML |
Formula | C50 H50 B Cu N4 P2 |
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Calculated formula | C50 H50 B Cu N4 P2 |
SMILES | [Cu]1([n]2cccn2[B]2(C3CCCC2CCC3)[n]2ccc[n]12)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
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 | 12.083 ± 0.0005 Å |
b | 23.5983 ± 0.0009 Å |
c | 15.664 ± 0.0006 Å |
α | 90° |
β | 100.122 ± 0.0015° |
γ | 90° |
Cell volume | 4396.9 ± 0.3 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 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 | 0.0681 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.0861 |
Weighted residual factors for all reflections included in the refinement | 0.0992 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7039142.html
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