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Information card for entry 7036333
Preview
| Coordinates | 7036333.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cis-NO2' |
|---|---|
| Chemical name | cis-NO2' |
| Formula | C61 H48.5 B N5.5 O2 P Ru |
| Calculated formula | C61 H48.5 B N5.5 O2 P Ru |
| SMILES | [n]12[Ru]34([n]5c(c2cccc1)cccc5c1[n]3cccc1)([n]1cccc2cccc([P]4(c3ccccc3)c3ccccc3)c12)N(=O)=O.N#CC.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Syntheses and properties of phosphine-substituted ruthenium(ii) polypyridine complexes with nitrogen oxides. |
| Authors of publication | Nakamura, Go; Kondo, Mio; Crisalli, Meredith; Lee, Sze Koon; Shibata, Akane; Ford, Peter C.; Masaoka, Shigeyuki |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 39 |
| Pages of publication | 17189 - 17200 |
| a | 10.2764 ± 0.0002 Å |
| b | 21.2343 ± 0.0004 Å |
| c | 24.3802 ± 0.0004 Å |
| α | 77.006 ± 0.001° |
| β | 78.953 ± 0.001° |
| γ | 74.936 ± 0.001° |
| Cell volume | 4955.3 ± 0.16 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0392 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.1031 |
| Weighted residual factors for all reflections included in the refinement | 0.1071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7036333.cif |
| 161246 | 2015-10-09 | cif/ Updating files of 7036332, 7036333, 7036334 Original log message: Adding full bibliography for 7036332--7036334.cif. |
7036333.cif |
| 153782 | 2015-08-29 | cif/ Adding structures of 7036332, 7036333, 7036334 via cif-deposit CGI script. |
7036333.cif |
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