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Information card for entry 4069541
Preview
| Coordinates | 4069541.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C110 H96 Fe N16 O2 Ru4 |
|---|---|
| Calculated formula | C110 H96 Fe N16 O2 Ru4 |
| SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[c]8([cH]7[cH]6[cH]12)C#C[Ru]1234[n]5ccccc5N(c5ccccc5)[Ru]4(N(c4[n]1cccc4)c1ccccc1)(N(c1[n]2cccc1)c1ccccc1)N(c1[n]3cccc1)c1ccccc1)C#C[Ru]1234[n]5ccccc5N(c5ccccc5)[Ru]2(N(c2[n]1cccc2)c1ccccc1)(N(c1[n]3cccc1)c1ccccc1)N(c1[n]4cccc1)c1ccccc1.C1CCCO1.C1CCCO1 |
| Title of publication | Dimer of Diruthenium Compound Bridged by 1,1′-Diethynylferrocene: Ferrocene as a Weak Mediator for Electronic Coupling |
| Authors of publication | Fan, Yang; Liu, Isiah Po-Chun; Fanwick, Phillip E.; Ren, Tong |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 13 |
| Pages of publication | 3959 |
| a | 10.0503 ± 0.0002 Å |
| b | 13.2396 ± 0.0002 Å |
| c | 20.3788 ± 0.0004 Å |
| α | 80.546 ± 0.0009° |
| β | 80.8887 ± 0.0009° |
| γ | 77.4834 ± 0.0008° |
| Cell volume | 2589.94 ± 0.08 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.069 |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for significantly intense reflections | 0.174 |
| Weighted residual factors for all reflections included in the refinement | 0.182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CU-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288533 (current) | 2023-12-24 | Changed data name '_commputing_cell_refinement' to '_computing_cell_refinement' in entries 4024870, 4069541. |
4069541.cif |
| 288193 | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9828. This change affected only the misspelt variants of the '_exptl_absorpt_process_details' data name. |
4069541.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4069541.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069541.cif |
| 40325 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069541 via cif-deposit CGI script. |
4069541.cif |
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Users of the data should acknowledge the original authors of the
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