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Information card for entry 7711373
Preview
Coordinates | 7711373.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H36 N2 Pt S |
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Calculated formula | C40 H36 N2 Pt S |
SMILES | [Pt]12([n]3c(c4c2cccc4)cc(cc3c2[n]1c1ccccc1s2)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)C#Cc1ccccc1 |
Title of publication | Isoelectronic Pt(II) Complexes of Cyclometalating C^N^N Ligands with Phenyl/(Benzo)thiophenyl and Pyridyl/(Benzo)thiazolyl Moieties |
Authors of publication | Krause, Maren; Friedel, Joshua; Buss, Stefan; Bruenkink, Dana; Berger, Annemarie; Strassert, Cristian Alejandro; Doltsinis, Nikos; Klein, Axel |
Journal of publication | Dalton Transactions |
Year of publication | 2022 |
a | 13.1805 ± 0.0004 Å |
b | 37.3146 ± 0.0019 Å |
c | 6.7184 ± 0.0002 Å |
α | 90° |
β | 100.192 ± 0.003° |
γ | 90° |
Cell volume | 3252.1 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1542 |
Residual factor for significantly intense reflections | 0.1016 |
Weighted residual factors for significantly intense reflections | 0.2208 |
Weighted residual factors for all reflections included in the refinement | 0.2434 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.56076 Å |
Diffraction radiation type | AgKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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