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Information card for entry 1564339
Preview
| Coordinates | 1564339.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H45 F20 N5 O3 Pd |
|---|---|
| Calculated formula | C69 H45 F20 N5 O3 Pd |
| Title of publication | Chromophore-Supported Structural and Functional Model of Dinuclear Copper Enzymes, for Facilitating Mechanism of Action Studies |
| Authors of publication | Chen, Qiu-Cheng; Fridman, Natalia; Tumanskii, Boris L.; Gross, Zeev |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 7.8433 ± 0.0002 Å |
| b | 18.5899 ± 0.0005 Å |
| c | 21.063 ± 0.0005 Å |
| α | 89.12 ± 0.002° |
| β | 86.471 ± 0.002° |
| γ | 86.785 ± 0.002° |
| Cell volume | 3060.25 ± 0.13 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0759 |
| Residual factor for significantly intense reflections | 0.0706 |
| Weighted residual factors for significantly intense reflections | 0.1806 |
| Weighted residual factors for all reflections included in the refinement | 0.1841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268012 (current) | 2021-08-11 | cif/ Adding structures of 1564338, 1564339 via cif-deposit CGI script. |
1564339.cif |
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Users of the data should acknowledge the original authors of the
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