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Information card for entry 4069538
Preview
| Coordinates | 4069538.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4b |
|---|---|
| Formula | C32 H16 Br6 N4 O2 Ru |
| Calculated formula | C32 H16 Br6 N4 O2 Ru |
| SMILES | c12c3cccc2O[Ru]2([n]1ccc3)(C#[N]c1c(Br)cc(Br)cc1Br)(C#[N]c1c(Br)cc(Br)cc1Br)[n]1c3c(cccc3ccc1)O2 |
| 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 | 23.0841 ± 0.001 Å |
| b | 6.9214 ± 0.0003 Å |
| c | 23.5613 ± 0.0012 Å |
| α | 90° |
| β | 112.317 ± 0.006° |
| γ | 90° |
| Cell volume | 3482.5 ± 0.3 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 | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0697 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1728 |
| Weighted residual factors for all reflections included in the refinement | 0.178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
4069538.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. |
4069538.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069538.cif |
| 40323 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069538 via cif-deposit CGI script. |
4069538.cif |
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Users of the data should acknowledge the original authors of the
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