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Information card for entry 7019938
Preview
Coordinates | 7019938.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H26 F12 N4 O3 P2 Re |
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Calculated formula | C23 H26 F12 N4 O3 P2 Re |
SMILES | [Re]1([n]2ccc(cc2c2[n]1ccc(c2)C[N+](CC)(CC)CC)C)([N]#CC)(C#[O])(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Synthesis, structure, photophysics and electrochemiluminescence of Re(i) tricarbonyl complexes with cationic 2,2-bipyridyl ligands. |
Authors of publication | Li, Mei-Jin; Liu, Xing; Shi, Yun-Qin; Xie, Rui-Jia; Wei, Qiao-Hua; Chen, Guo-Nan |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 35 |
Pages of publication | 10612 - 10618 |
a | 8.242 ± 0.0016 Å |
b | 14.566 ± 0.003 Å |
c | 25.304 ± 0.005 Å |
α | 90° |
β | 92.72 ± 0.03° |
γ | 90° |
Cell volume | 3034.4 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0166 |
Residual factor for significantly intense reflections | 0.0149 |
Weighted residual factors for significantly intense reflections | 0.0371 |
Weighted residual factors for all reflections included in the refinement | 0.0376 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.75 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179903 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/99. |
7019938.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019938.cif |
66501 | 2012-09-11 | cif/ Adding structures of 7019938, 7019939 via cif-deposit CGI script. |
7019938.cif |
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Users of the data should acknowledge the original authors of the
structural data.