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Information card for entry 4325871
Preview
| Coordinates | 4325871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H36 B9 Cl2 P2 Ru |
|---|---|
| Calculated formula | C30 H36 B9 Cl2 P2 Ru |
| SMILES | [Ru]123456(Cl)[P](CCCC[P]1(c1ccccc1)c1ccccc1)(c1c([B]7896[BH]6%104[CH]4%112[CH]2%123[BH]3%13%11[BH]%1164[BH]48%10[BH]63%11[BH]3%12%13[B]572(Cl)[BH]9463)cccc1)c1ccccc1 |
| Title of publication | Carborane Complexes of Ruthenium(III): Studies on Thermal Reaction Chemistry and the Catalyst Design for Atom Transfer Radical Polymerization of Methyl Methacrylate |
| Authors of publication | Ivan D. Grishin; Dmitrii I. D'yachihin; Alexander V. Piskunov; Fedor M. Dolgushin; Alexander F. Smol'yakov; Mikhail M. Il'in; Vadim A. Davankov; Igor T. Chizhevsky; Dmitry F. Grishin |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 7574 - 7585 |
| a | 10.332 ± 0.002 Å |
| b | 10.45 ± 0.002 Å |
| c | 16.281 ± 0.003 Å |
| α | 74.691 ± 0.003° |
| β | 76.727 ± 0.003° |
| γ | 82.264 ± 0.003° |
| Cell volume | 1645 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0695 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.0747 |
| Weighted residual factors for all reflections included in the refinement | 0.0831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179361 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/58. |
4325871.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325871.cif |
| 46907 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4325871 via cif-deposit CGI script. |
4325871.cif |
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