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Information card for entry 7043415
Preview
Coordinates | 7043415.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C73 H56 Br N2 O5 Re S2 |
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Calculated formula | C73 H56 Br N2 O5 Re S2 |
SMILES | C1(=C2N(C=CN2c2c(cc(cc2C(c2ccccc2)c2ccccc2)OC)C(c2ccccc2)c2ccccc2)c2c(cc(cc2C(c2ccccc2)c2ccccc2)OC)C(c2ccccc2)c2ccccc2)S[Re](C#[O])(C#[O])(C#[O])(S1)Br |
Title of publication | Synthesis and complexation of superbulky imidazolium-2-dithiocarboxylate ligands |
Authors of publication | Beltrán, Tomás F.; Zaragoza, Guillermo; Delaude, Lionel |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 20.7406 ± 0.0008 Å |
b | 14.4781 ± 0.0005 Å |
c | 19.8518 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5961.2 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.082 |
Residual factor for significantly intense reflections | 0.0477 |
Weighted residual factors for significantly intense reflections | 0.0813 |
Weighted residual factors for all reflections included in the refinement | 0.0928 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.7107 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/7043415.html
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