Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070308
Preview
| Coordinates | 4070308.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H32 Cl3 F2 N2 O0.5 P2 Ru |
|---|---|
| Calculated formula | C39 H30 Cl3 F2 N2 O0.5 P2 Ru |
| SMILES | [Ru]123456([P]7(c8c([P]1(c1c(F)cccc1)c1c(cccc1)N1C=6N(c6c7cccc6)C=C1)cccc8)c1c(F)cccc1)[cH]1[cH]2[cH]3[cH]4[cH]51.[Cl-].C(Cl)Cl.O |
| Title of publication | Synthesis of a Ruthenium(II) Complex Containing an [11]ane-P2CNHC(NHC = Imidazolidin-2-ylidene) Macrocycle |
| Authors of publication | Flores-Figueroa, Aarón; Kaufhold, Oliver; Hepp, Alexander; Fröhlich, Roland; Hahn, F. Ekkehardt |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 21 |
| Pages of publication | 6362 |
| a | 20.0186 ± 0.0005 Å |
| b | 22.1164 ± 0.0007 Å |
| c | 18.4397 ± 0.0007 Å |
| α | 90° |
| β | 107.58 ± 0.002° |
| γ | 90° |
| Cell volume | 7782.7 ± 0.4 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0613 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1469 |
| Weighted residual factors for all reflections included in the refinement | 0.1532 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4070308.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070308.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070308.cif |
| 40683 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070308, 4070309, 4070310, 4070311 via cif-deposit CGI script. |
4070308.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.