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Information card for entry 4109567
Preview
| Coordinates | 4109567.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H58 Cl2 N4 Ru2 |
|---|---|
| Calculated formula | C46 H58 Cl2 N4 Ru2 |
| SMILES | C12N(CCN1c1c(cc(cc1C[Ru]13=2([CH2]=[CH2]1)[Cl][Ru]12(=C4N(CCN4c4c(cc(cc4C1)C)C)c1c(cc(cc1C)C)C)([CH2]=[CH2]2)[Cl]3)C)C)c1c(C)cc(cc1C)C |
| Title of publication | Decomposition of Ruthenium Olefin Metathesis Catalysts |
| Authors of publication | Soon Hyeok Hong; Anna G. Wenzel; Tina T. Salguero; Michael W. Day; Robert H. Grubbs |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 7961 - 7968 |
| a | 9.8735 ± 0.0006 Å |
| b | 10.7053 ± 0.0007 Å |
| c | 11.8315 ± 0.0007 Å |
| α | 100.828 ± 0.002° |
| β | 98.018 ± 0.002° |
| γ | 116.447 ± 0.001° |
| Cell volume | 1063.77 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0724 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0667 |
| Weighted residual factors for all reflections included in the refinement | 0.0714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4109567.cif |
| 178841 | 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 4/10/95. |
4109567.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109567.cif |
| 58344 | 2012-05-28 | cif/ Adding structures of 4109567 via cif-deposit CGI script. |
4109567.cif |
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Users of the data should acknowledge the original authors of the
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