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Information card for entry 4109247
Preview
| Coordinates | 4109247.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H26 N6 Na2 O9 Ru |
|---|---|
| Calculated formula | C14 H8 N6 Na2 O7 Ru |
| SMILES | C(#N)[Ru]1(C#N)(C#N)(C#N)[n]2c(c3cccc[n]13)cccc2.[Na+].O.[Na+].O.O.O.O.O.O |
| Title of publication | Structural and Photophysical Properties of Adducts of [Ru(bipy)(CN)4]2- with Different Metal Cations: Metallochromism and Its Use in Switching Photoinduced Energy Transfer |
| Authors of publication | Theodore Lazarides; Timothy L. Easun; Claire Veyne-Marti; Wassim Z. Alsindi; Michael W. George; Nina Deppermann; Christopher A. Hunter; Harry Adams; Michael D. Ward |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 4014 - 4027 |
| a | 6.9796 ± 0.001 Å |
| b | 30.805 ± 0.004 Å |
| c | 10.517 ± 0.0014 Å |
| α | 90° |
| β | 107.714 ± 0.001° |
| γ | 90° |
| Cell volume | 2154 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0473 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.1175 |
| Weighted residual factors for all reflections included in the refinement | 0.1245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.732 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178838 (current) | 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 4/10/92. |
4109247.cif |
| 134573 | 2015-04-01 | cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values. |
4109247.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109247.cif |
| 58011 | 2012-05-23 | cif/ Adding structures of 4109247 via cif-deposit CGI script. |
4109247.cif |
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Users of the data should acknowledge the original authors of the
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