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Information card for entry 7014393
Preview
| Coordinates | 7014393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H33 N3 O6 Ru |
|---|---|
| Calculated formula | C27 H33 N3 O6 Ru |
| SMILES | [Ru]123456([c]7([c]1([c]2([c]3([c]4([c]57C)C)C)C)C)C)(OC1=CC=CC=CC1=[O]6)n1nc(c(n1)C(=O)OCC)C(=O)OCC |
| Title of publication | Mono and dinuclear arene ruthenium(II) triazoles by 1,3-dipolar cycloadditions to a coordinated azide in ruthenium(II) compounds. |
| Authors of publication | Singh, Keisham Sarjit; Svitlyk, Volodymyr; Mozharivskyj, Yurij |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 5 |
| Pages of publication | 1020 - 1023 |
| a | 9.4032 ± 0.0004 Å |
| b | 11.5596 ± 0.0005 Å |
| c | 14.423 ± 0.0006 Å |
| α | 111.292 ± 0.003° |
| β | 92.407 ± 0.004° |
| γ | 109.007 ± 0.003° |
| Cell volume | 1358.04 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0759 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.0867 |
| Weighted residual factors for all reflections included in the refinement | 0.0946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.919 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179847 (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 7/01/43. |
7014393.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014393.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014393.cif |
| 14743 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014392, 7014393 via cif-deposit CGI script. |
7014393.cif |
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Users of the data should acknowledge the original authors of the
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