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Information card for entry 4106791
Preview
Coordinates | 4106791.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H75 Co N3 O2 P3 Zr |
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Calculated formula | C46 H75 Co N3 O2 P3 Zr |
SMILES | [Zr]1234([Co]([P](N1c1c(cc(cc1C)C)C)(C(C)C)C(C)C)([P](N2c1c(cc(cc1C)C)C)(C(C)C)C(C)C)(O3)C#[O])[P](N4c1c(cc(cc1C)C)C)(C(C)C)C(C)C |
Title of publication | Activation of CO2 by a Heterobimetallic Zr/Co Complex |
Authors of publication | Jeremy P. Krogman; Bruce M. Foxman; Christine M. Thomas |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 14582 - 14585 |
a | 10.7492 ± 0.0005 Å |
b | 11.2308 ± 0.0006 Å |
c | 20.7876 ± 0.0011 Å |
α | 93.048 ± 0.003° |
β | 103.754 ± 0.003° |
γ | 100.868 ± 0.003° |
Cell volume | 2381.2 ± 0.2 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0681 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for all reflections | 0.1147 |
Weighted residual factors for significantly intense reflections | 0.1063 |
Weighted residual factors for all reflections included in the refinement | 0.1147 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4106791.html
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Users of the data should acknowledge the original authors of the
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