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Information card for entry 4110663
Preview
Coordinates | 4110663.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H26 Cl3 N O Pt S |
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Calculated formula | C34 H26 Cl3 N O Pt S |
SMILES | [Pt]12(c3c(c4[n]1c(c1c2cc2c(c1)cccc2)cc(c4)c1ccccc1)cc1c(c3)cccc1)[S](=O)(C)C.C(Cl)(Cl)Cl |
Title of publication | Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands |
Authors of publication | Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2006 |
Journal volume | 128 |
Pages of publication | 8297 - 8309 |
a | 10.947 ± 0.002 Å |
b | 18.146 ± 0.004 Å |
c | 15.211 ± 0.003 Å |
α | 90° |
β | 101.45 ± 0.03° |
γ | 90° |
Cell volume | 2961.4 ± 1.1 Å3 |
Cell temperature | 253 ± 2 K |
Ambient diffraction temperature | 253 ± 2 K |
Number of distinct elements | 7 |
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 | 0.053 |
Residual factor for significantly intense reflections | 0.0312 |
Weighted residual factors for significantly intense reflections | 0.0625 |
Weighted residual factors for all reflections included in the refinement | 0.0657 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.77 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178877 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/06. |
4110663.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110663.cif |
59479 | 2012-06-12 | cif/ Adding structures of 4110663 via cif-deposit CGI script. |
4110663.cif |
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Users of the data should acknowledge the original authors of the
structural data.