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Information card for entry 2237269
Preview
| Coordinates | 2237269.cif |
|---|---|
| Structure factors | 2237269.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>cis</i>-Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(pyridin-4-amine- κ<i>N</i>^1^)ruthenium(II) bis(hexafluoridophosphate) |
|---|---|
| Formula | C34 H28 F12 N8 P2 Ru |
| Calculated formula | C34 H28 F12 N8 P2 Ru |
| SMILES | [Ru]12([n]3ccc(N)cc3)([n]3c4c5[n]2cccc5ccc4ccc3)([n]2c3c4c(ccc3ccc2)ccc[n]14)[n]1ccc(cc1)N.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | <i>cis</i>-Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(pyridin-4-amine-κ<i>N</i>^1^)ruthenium(II) bis(hexafluoridophosphate) |
| Authors of publication | Camilo, Mariana R.; Martins, Felipe T.; Malta, Valéria R. S.; Ellena, Javier; Carlos, Rose M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | m75 - m76 |
| a | 13.0943 ± 0.0003 Å |
| b | 14.573 ± 0.0003 Å |
| c | 19.9366 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3804.37 ± 0.15 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P 21 c n |
| Hall space group symbol | P -2n 2a |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for all reflections included in the refinement | 0.1506 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2237269.cif 2237269.hkl |
| 181294 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/72. |
2237269.cif 2237269.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237269.cif 2237269.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2237269.cif 2237269.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237269.cif 2237269.hkl |
| 75267 | 2013-03-09 | cif/ Adding structures of 2237269 via cif-deposit CGI script. |
2237269.cif |
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Users of the data should acknowledge the original authors of the
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