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Information card for entry 4069537
Preview
| Coordinates | 4069537.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3a |
|---|---|
| Formula | C33 H22 Cl4 N4 O2 Ru |
| Calculated formula | C33 H22 Cl4 N4 O2 Ru |
| SMILES | [Ru]12(Oc3c4[n]1cccc4ccc3)(Oc1c3[n]2cccc3ccc1)(C#[N]c1ccc(cc1)Cl)C#[N]c1ccc(cc1)Cl.ClCCl |
| Title of publication | Synthesis and Photophysical Properties of Ruthenium(II) Isocyanide Complexes Containing 8-Quinolinolate Ligands |
| Authors of publication | Leung, Chi-Fai; Ng, Siu-Mui; Xiang, Jing; Wong, Wai-Yeung; Lam, Michael Hon-Wah; Ko, Chi-Chiu; Lau, Tai-Chu |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 19 |
| Pages of publication | 5709 |
| a | 8.3101 ± 0.0004 Å |
| b | 13.0622 ± 0.0007 Å |
| c | 15.2027 ± 0.0005 Å |
| α | 78.156 ± 0.004° |
| β | 83.454 ± 0.003° |
| γ | 78.703 ± 0.004° |
| Cell volume | 1579.11 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0681 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1732 |
| Weighted residual factors for all reflections included in the refinement | 0.1795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
4069537.cif |
| 178584 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/95. |
4069537.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069537.cif |
| 40322 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069537 via cif-deposit CGI script. |
4069537.cif |
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Users of the data should acknowledge the original authors of the
structural data.