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Information card for entry 1568172
Preview
Coordinates | 1568172.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H56 Cl2 Cu2 N10 |
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Calculated formula | C42 H56 Cl2 Cu2 N10 |
Title of publication | The bridge towards a more stable and active side-on-peroxido (Cu<sub>2</sub><sup>II</sup>(µ-η<sup>2</sup>:η<sup>2</sup>-O<sub>2</sub>)) complex as a tyrosinase model system. |
Authors of publication | Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja |
Journal of publication | Faraday discussions |
Year of publication | 2023 |
Journal volume | 244 |
Journal issue | 0 |
Pages of publication | 134 - 153 |
a | 16.007 ± 0.003 Å |
b | 16.568 ± 0.003 Å |
c | 16.63 ± 0.003 Å |
α | 89.47 ± 0.03° |
β | 86.66 ± 0.03° |
γ | 87.22 ± 0.03° |
Cell volume | 4397.6 ± 1.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.044 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0799 |
Weighted residual factors for all reflections included in the refinement | 0.0832 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54186 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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286129 (current) | 2023-09-05 | cif/ Updating files of 1568167, 1568168, 1568169, 1568170, 1568171, 1568172, 1568173 Original log message: Adding full bibliography for 1568167--1568173.cif. |
1568172.cif |
280000 | 2022-12-22 | cif/ Adding structures of 1568167, 1568168, 1568169, 1568170, 1568171, 1568172, 1568173 via cif-deposit CGI script. |
1568172.cif |
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Users of the data should acknowledge the original authors of the
structural data.