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Information card for entry 1508824
Preview
Coordinates | 1508824.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H29 N O3 Pt |
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Calculated formula | C28 H29 N O3 Pt |
SMILES | [Pt]12(c3c(c4[n]2cccc4)c2oc4c(c2cc3)cccc4)OC(=CC(=[O]1)C(C)(C)C)C(C)(C)C |
Title of publication | Photo- and Electroluminescence from 2-(Dibenzo[b,d]furan-4-yl)pyridine-Based Heteroleptic Cyclometalated Platinum(II) Complexes: Excimer Formation Drastically Facilitated by an Aromatic Diketonate Ancillary Ligand |
Authors of publication | Shigehiro, Tatsuya; Yagi, Shigeyuki; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki; Sakurai, Yoshiaki |
Journal of publication | The Journal of Physical Chemistry C |
Year of publication | 2013 |
Journal volume | 117 |
Journal issue | 1 |
Pages of publication | 532 |
a | 8.8407 ± 0.0004 Å |
b | 17.8439 ± 0.0009 Å |
c | 31.9076 ± 0.0015 Å |
α | 90° |
β | 92.0189 ± 0.0015° |
γ | 90° |
Cell volume | 5030.4 ± 0.4 Å3 |
Cell temperature | 296.1 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 significantly intense reflections | 0.0691 |
Weighted residual factors for all reflections included in the refinement | 0.0679 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1508824.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508824.cif |
86269 | 2013-05-17 | smi/1 Adding SMILES in subdir 1 with checked/fixed bracketed oxygens ([O]) |
1508824.cif |
73979 | 2013-02-21 | cif/ Adding structures of 1508823, 1508824 via cif-deposit CGI script. |
1508824.cif |
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Users of the data should acknowledge the original authors of the
structural data.