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Information card for entry 4114644
Preview
Coordinates | 4114644.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H39 Co2 F6 N12 O7 P |
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Calculated formula | C41 H39 Co2 F6 N12 O7 P |
SMILES | [Co]1234([n]5[n]6[Co]789(N(C(=O)C[N]8(Cc8[n]9cccc8)Cc8[n]7cccc8)c7c(cccc7)c6oc5c5ccccc5N1C(=O)C[N]2(Cc1[n]3cccc1)C)OO4)N(=O)=O.C(#N)C.C(#N)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Bimetallic Reactivity. One-Site Addition Two-Metal Oxidation Reaction of Dioxygen with a Bimetallic Dicobalt(II) Complex Bearing Five- and Six-Coordinate Sites |
Authors of publication | Anna L. Gavrilova; C. Jin Qin; Roger D. Sommer; Arnold L. Rheingold; B. Bosnich |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 1714 - 1722 |
a | 10.4971 ± 0.0011 Å |
b | 11.383 ± 0.0013 Å |
c | 19.466 ± 0.002 Å |
α | 91.013 ± 0.002° |
β | 101.484 ± 0.002° |
γ | 110.07 ± 0.002° |
Cell volume | 2131.6 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.1113 |
Residual factor for significantly intense reflections | 0.0574 |
Weighted residual factors for significantly intense reflections | 0.107 |
Weighted residual factors for all reflections included in the refinement | 0.1279 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/4114644.html
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Users of the data should acknowledge the original authors of the
structural data.