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Information card for entry 7031652
Preview
| Coordinates | 7031652.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [RuBr(NO)2(PPh3)2]BF4 |
|---|---|
| Formula | C36 H30 B Br F4 N2 O2 P2 Ru |
| Calculated formula | C36 H30 B Br F4 N2 O2 P2 Ru |
| SMILES | [Ru](Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(N=O)N=O.[B](F)(F)(F)[F-] |
| Title of publication | NO-binding in {Ru(NO)2}(8)-type [Ru(NO)2(PR3)2X]BF4 compounds. |
| Authors of publication | Gallien, Anna K. E.; Schaniel, Dominik; Woike, Theo; Klüfers, Peter |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 35 |
| Pages of publication | 13278 - 13292 |
| a | 19.2932 ± 0.0003 Å |
| b | 9.9662 ± 0.0001 Å |
| c | 20.7107 ± 0.0003 Å |
| α | 90° |
| β | 116.937 ± 0.001° |
| γ | 90° |
| Cell volume | 3550.2 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0453 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0684 |
| Weighted residual factors for all reflections included in the refinement | 0.0745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180022 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/16. |
7031652.cif |
| 123443 | 2014-09-08 | cif/ Updating files of 7031650, 7031651, 7031652, 7031653, 7031654, 7031655, 7031656, 7031657, 7031658, 7031659, 7031660, 7031661, 7031662 Original log message: Adding full bibliography for 7031650--7031662.cif. |
7031652.cif |
| 120476 | 2014-07-16 | cif/ Adding structures of 7031650, 7031651, 7031652, 7031653, 7031654, 7031655, 7031656, 7031657, 7031658, 7031659, 7031660, 7031661, 7031662 via cif-deposit CGI script. |
7031652.cif |
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Users of the data should acknowledge the original authors of the
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