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Information card for entry 4338410
Preview
Coordinates | 4338410.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H68 Cl3 F6 N8 O2 P Pd4 |
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Calculated formula | C57 H68 Cl3 F6 N8 O2 P Pd4 |
SMILES | c1c2c3cc4c1N([Pd]1(c5c(cccc5)C[N]1(C)C)O4)CCc1cccc[n]1[Pd]1(c4ccccc4C[N]1(C)C)[Cl][Pd]1(c4ccccc4C[N]1(C)C)[n]1c(CCN2[Pd]2(c4c(cccc4)C[N]2(C)C)O3)cccc1.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Reversible switching of the coordination modes of a pyridine-functionalized quinonoid zwitterion; its di- and tetranuclear palladium complexes. |
Authors of publication | Ghisolfi, Alessio; Waldvogel, Audrey; Routaboul, Lucie; Braunstein, Pierre |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Journal volume | 53 |
Journal issue | 11 |
Pages of publication | 5515 - 5526 |
a | 13.7587 ± 0.0008 Å |
b | 16.4948 ± 0.001 Å |
c | 16.8929 ± 0.001 Å |
α | 67.263 ± 0.001° |
β | 72.179 ± 0.001° |
γ | 67.758 ± 0.001° |
Cell volume | 3215 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1356 |
Residual factor for significantly intense reflections | 0.0784 |
Weighted residual factors for significantly intense reflections | 0.2213 |
Weighted residual factors for all reflections included in the refinement | 0.246 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
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/4338410.html
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