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Information card for entry 4031535
Preview
Coordinates | 4031535.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H22 F12 N10 P2 Ru |
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Calculated formula | C20 H22 F12 N10 P2 Ru |
SMILES | CN1C2=[Ru]3(=C4N(C)C=CN4c4nccc[n]34)([n]3c(N2C=C1)nccc3)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction. |
Authors of publication | Chen, Chao; Lu, Chunxin; Zheng, Qing; Ni, Shengliang; Zhang, Min; Chen, Wanzhi |
Journal of publication | Beilstein journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 11 |
Pages of publication | 1786 - 1795 |
a | 23.24 ± 0.003 Å |
b | 10.341 ± 0.0005 Å |
c | 16.06 ± 0.004 Å |
α | 90° |
β | 130.19 ± 0.03° |
γ | 90° |
Cell volume | 2948.4 ± 1.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0617 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1465 |
Weighted residual factors for all reflections included in the refinement | 0.1558 |
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 |
Revision | Date | Message | Files |
---|---|---|---|
176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4031535.cif |
173610 | 2016-01-06 | cif/ Updating files of 4031535, 4031536, 4031537, 4031538, 4031539 Original log message: Adding full bibliography for 4031535--4031539.cif. |
4031535.cif |
159065 | 2015-10-01 | cif/ Adding structures of 4031535, 4031536, 4031537, 4031538, 4031539 via cif-deposit CGI script. |
4031535.cif |
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Users of the data should acknowledge the original authors of the
structural data.