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Information card for entry 4069379
Preview
| Coordinates | 4069379.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H73 F24 N15 P4 Ru2 |
|---|---|
| Calculated formula | C52 H73 F24 N15 P4 Ru2 |
| SMILES | CC#N.[Ru]123([n]4c5c6[n]1cccc6ccc5ccc4)([N]#CC)[N]1(CC[N]3(CC[N]2(C)CC1)C)C.[P](F)(F)(F)(F)(F)[F-].CC#N.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Ruthenium(II) Isocyanide Complexes Supported by Triazacyclononane/Trithiacyclononane and Aromatic Diimine: Structural, Spectroscopic, and Theoretical Studies |
| Authors of publication | Wong, Chun-Yuen; Lai, Lo-Ming; Leung, Hung-Fan; Wong, Sze-Ho |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 12 |
| Pages of publication | 3537 |
| a | 12.0416 ± 0.0005 Å |
| b | 15.8303 ± 0.0006 Å |
| c | 18.8685 ± 0.0007 Å |
| α | 85.705 ± 0.003° |
| β | 78.584 ± 0.003° |
| γ | 85.926 ± 0.003° |
| Cell volume | 3509.9 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1175 |
| Residual factor for significantly intense reflections | 0.0684 |
| Weighted residual factors for significantly intense reflections | 0.1718 |
| Weighted residual factors for all reflections included in the refinement | 0.1861 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4069379.cif |
| 178582 | 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 4/06/93. |
4069379.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069379.cif |
| 40271 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069379, 4069380, 4069381, 4069382 via cif-deposit CGI script. |
4069379.cif |
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