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Information card for entry 4109920
Preview
| Coordinates | 4109920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H48 N18 O21 Ru3 Yb2 |
|---|---|
| Calculated formula | C24 H22 N18 O21 Ru3 Yb2 |
| Title of publication | Photophysical and Structural Properties of Cyanoruthenate Complexes of Hexaazatriphenylene |
| Authors of publication | Juan-Manuel Herrera; Simon J. A. Pope; Anthony J. H. M. Meijer; Timothy L. Easun; Harry Adams; Wassim Z. Alsindi; Xue-Zhong Sun; Michael W. George; Stephen Faulkner; Michael D. Ward |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 11491 - 11504 |
| a | 8.68 ± 0.0006 Å |
| b | 25.0903 ± 0.0015 Å |
| c | 11.0863 ± 0.0007 Å |
| α | 90° |
| β | 101.55 ± 0.004° |
| γ | 90° |
| Cell volume | 2365.5 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0715 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1167 |
| Weighted residual factors for all reflections included in the refinement | 0.1416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' 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 524 files were changed. |
4109920.cif |
| 178845 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/99. |
4109920.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109920.cif |
| 58699 | 2012-05-30 | cif/ Adding structures of 4109920 via cif-deposit CGI script. |
4109920.cif |
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Users of the data should acknowledge the original authors of the
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