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Information card for entry 7219001
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| Coordinates | 7219001.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (η^5^-cyclopentadienyl)-bis[4-(tetrahydro-1,4-oxazino)methyl]phosphine- bis(triphenylphosphine)-ruthenium(II) tetrafluoroborate |
|---|---|
| Formula | C51 H56 B F4 N2 O2 P3 Ru |
| Calculated formula | C51 H56 B F4 N2 O2 P3 Ru |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Ru]2345([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[PH](CN1CCOCC1)CN1CCOCC1.[B](F)(F)(F)[F-] |
| Title of publication | Unexpected formation of [Ru(η5-C5H5)(PH{CH2N(CH2CH2)2O}2)(PPh3)2]BF4 - the first „piano-stool” ruthenium complex bearing secondary aminomethylphosphane ligand |
| Authors of publication | Płotek, Michał; Starosta, Radosław; Komarnicka, Urszula K.; Skórska-Stania, Agnieszka; Stochel, Grazyna; Kyzioł, Agnieszka; Jezowska-Bojczuk, Malgorzata |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| a | 28.1859 ± 0.0001 Å |
| b | 28.1859 ± 0.0001 Å |
| c | 23.7177 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 18842.4 ± 0.18 Å3 |
| Cell temperature | 119.8 ± 0.5 K |
| Ambient diffraction temperature | 119.8 ± 0.5 K |
| Number of distinct elements | 8 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0374 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.0726 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7219001.cif |
| 128069 | 2014-12-03 | cif/ Adding structures of 7219001 via cif-deposit CGI script. |
7219001.cif |
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