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Information card for entry 7052790
Preview
| Coordinates | 7052790.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H74 N4 P2 Ru |
|---|---|
| Calculated formula | C76 H74 N4 P2 Ru |
| SMILES | C1=c2c(c(c3=Cc4c(c(c5=Cc6c(c(c7C=c8c(c(c1[n]8[Ru]([n]45)(n23)(n67)([P](c1ccccc1)(c1ccccc1)C#Cc1ccccc1)[P](c1ccccc1)(c1ccccc1)C#Cc1ccccc1)CC)CC)CC)CC)CC)CC)CC)CC |
| Title of publication | Ruthenium(ii) and rhodium(iii) porphyrin phosphine complexes: influence of substitution pattern on structure and electronic properties |
| Authors of publication | Bond, Andrew D.; Sanders, Jeremy K. M.; Stulz, Eugen |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 11 |
| Pages of publication | 2691 |
| a | 11.5833 ± 0.0003 Å |
| b | 12.2478 ± 0.0003 Å |
| c | 13.1535 ± 0.0003 Å |
| α | 96.18 ± 0.001° |
| β | 110.866 ± 0.001° |
| γ | 113.422 ± 0.001° |
| Cell volume | 1530.94 ± 0.07 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.045 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0868 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180081 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/27. |
7052790.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052790.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052790.cif |
| 30111 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7052788, 7052789, 7052790, 7052791, 7052792 via cif-deposit CGI script. |
7052790.cif |
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Users of the data should acknowledge the original authors of the
structural data.