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Information card for entry 1565132
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Coordinates | 1565132.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H38 Cu N2 O |
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Calculated formula | C27 H38 Cu N2 O |
Title of publication | Direct metal-carbon bonding in symmetric bis(C-H) agostic Nickel(I) complexes |
Authors of publication | He, Weiying; Beattie, D. Dawson; Zhou, Hao; Bowes, Eric G.; Schafer, Laurel L.; Love, Jennifer; Kennepohl, Pierre |
Journal of publication | Chemical Science |
Year of publication | 2021 |
a | 15.755 ± 0.004 Å |
b | 9.051 ± 0.002 Å |
c | 18.592 ± 0.004 Å |
α | 90° |
β | 101.785 ± 0.003° |
γ | 90° |
Cell volume | 2595.3 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0508 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.0948 |
Weighted residual factors for all reflections included in the refinement | 0.1031 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
270329 (current) | 2021-11-06 | cif/ Adding structures of 1565127, 1565128, 1565129, 1565130, 1565131, 1565132 via cif-deposit CGI script. |
1565132.cif |
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Users of the data should acknowledge the original authors of the
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