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Information card for entry 4127511
Preview
Coordinates | 4127511.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H40 Cl4 Co4 N8 O10 |
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Calculated formula | C44 H40 Cl4 Co4 N8 O10 |
SMILES | c1cccc2C3([O]45[Co]67([n]12)(Cl)[n]1c(C2(c8cccc[n]8[Co]84([n]4c3cccc4)([O]72[Co]234([n]7ccccc7C7(c9cccc[n]9[Co]95([n]5ccccc5C(c5cccc[n]25)([O]849)O)([O]637)Cl)O)Cl)Cl)O)cccc1)O.O.O |
Title of publication | Mechanistically Driven Control over Cubane Oxo Cluster Catalysts. |
Authors of publication | Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 22 |
Pages of publication | 8846 - 8857 |
a | 23.9436 ± 0.0004 Å |
b | 23.9436 ± 0.0004 Å |
c | 23.9436 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 13726.8 ± 0.4 Å3 |
Cell temperature | 183.05 ± 0.1 K |
Ambient diffraction temperature | 183.05 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 220 |
Hermann-Mauguin space group symbol | I -4 3 d |
Hall space group symbol | I -4bd 2c 3 |
Residual factor for all reflections | 0.0297 |
Residual factor for significantly intense reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.0687 |
Weighted residual factors for all reflections included in the refinement | 0.0697 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation probe | x-ray |
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/4127511.html
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Users of the data should acknowledge the original authors of the
structural data.