Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4325870
Preview
| Coordinates | 4325870.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H39 B9 Cl3 P2 Ru |
|---|---|
| Calculated formula | C31 H39 B9 Cl3 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[BH]572[BH]9463)cccc1)c1ccccc1.ClCCl |
| 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 | 17.2584 ± 0.0009 Å |
| b | 14.1124 ± 0.0007 Å |
| c | 28.7848 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7010.8 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0526 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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. |
4325870.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325870.cif |
| 46906 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4325870 via cif-deposit CGI script. |
4325870.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.