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Information card for entry 4107822
Preview
Coordinates | 4107822.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H48 B Cu F20 N11 O3 |
---|---|
Calculated formula | C45 H48 B Cu F20 N11 O3 |
SMILES | [Cu]123(ON(=O)=O)[N](=C(N(C)C)N(C)C)CC[N]1(CC[N]2=C(N(C)C)N(C)C)CC[N]3=C(N(C)C)N(C)C.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | Reaction of a Copper-Dioxygen Complex with Nitrogen Monoxide (.NO) Leads to a Copper(II)-Peroxynitrite Species |
Authors of publication | Debabrata Maiti; Dong-Heon Lee; Amy A. Narducci Sarjeant; Monita Y. M. Pau; Edward I. Solomon; Katya Gaoutchenova; Jörg Sundermeyer; Kenneth D. Karlin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 6700 - 6701 |
a | 13.433 ± 0.003 Å |
b | 13.442 ± 0.004 Å |
c | 17.5504 ± 0.0016 Å |
α | 70.037 ± 0.017° |
β | 74.295 ± 0.014° |
γ | 60.28 ± 0.03° |
Cell volume | 2566.7 ± 1.2 Å3 |
Ambient diffraction temperature | 110 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 | 0.1204 |
Residual factor for significantly intense reflections | 0.066 |
Weighted residual factors for significantly intense reflections | 0.0965 |
Weighted residual factors for all reflections included in the refinement | 0.1174 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
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/4107822.html
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Users of the data should acknowledge the original authors of the
structural data.