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Information card for entry 7157983
Preview
Coordinates | 7157983.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H43 Cl2 N2 P Ru |
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Calculated formula | C41 H43 Cl2 N2 P Ru |
SMILES | [Ru]123456(Cl)([P](c7ccccc7CN7C=1N(c1c(cc(cc1C)C)C)C=C7)(c1ccccc1)c1ccccc1)[c]1([cH]2[cH]4[c]3([cH]6[cH]51)C)C(C)C.[Cl-] |
Title of publication | Ruthenium(II) complexes with N-heterocyclic carbene-phosphine ligands for the <i>N</i>-alkylation of amines with alcohols. |
Authors of publication | Huang, Ming; Li, Yinwu; Lan, Xiao-Bing; Liu, Jiahao; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 15 |
Pages of publication | 3451 - 3461 |
a | 10.0105 ± 0.0003 Å |
b | 11.3092 ± 0.0004 Å |
c | 19.085 ± 0.0007 Å |
α | 85.671 ± 0.003° |
β | 78.534 ± 0.003° |
γ | 67.01 ± 0.003° |
Cell volume | 1949.31 ± 0.12 Å3 |
Cell temperature | 282.72 ± 0.1 K |
Ambient diffraction temperature | 282.72 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0336 |
Residual factor for significantly intense reflections | 0.0301 |
Weighted residual factors for significantly intense reflections | 0.0737 |
Weighted residual factors for all reflections included in the refinement | 0.0759 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
264960 (current) | 2021-05-05 | cif/ Updating files of 7157983, 7157984, 7157985 Original log message: Adding full bibliography for 7157983--7157985.cif. |
7157983.cif |
263212 | 2021-03-21 | cif/ Adding structures of 7157983, 7157984, 7157985 via cif-deposit CGI script. |
7157983.cif |
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Users of the data should acknowledge the original authors of the
structural data.