Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2236642
Preview
| Coordinates | 2236642.cif |
|---|---|
| Structure factors | 2236642.hkl |
| Original IUCr paper | HTML |
| Common name | Tris(η^5^-cyclopentadienyl)-[(tris-η^6^)-(9,10-dihydroanthracene-9,10-endo-\ 3',4'-(<i>N</i>-benzyl)-pyrrolidine)]-triruthenium(II) tris(hexafluorophosphate) |
|---|---|
| Chemical name | Tris(η^5^-cyclopentadienyl)-tris[η^6^-[9,10-dihydroanthracene-9,10- <i>endo</i>-3',4'-(<i>N</i>-benzyl)pyrrolidine]]triruthenium(II) tris(hexafluorophosphate) acteone disolvate |
| Formula | C46 H50 F18 N O2 P3 Ru3 |
| Calculated formula | C46 H50 F18 N O2 P3 Ru3 |
| Title of publication | Tris(η^5^-cyclopentadienyl)-tris[η^6^-[9,10-dihydroanthracene-9,10-<i>endo</i>-3',4'-(<i>N</i>-benzyl)pyrrolidine]]triruthenium(II) tris(hexafluorophosphate) acetone disolvate |
| Authors of publication | Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Saffon, Nathalie; Teuma, Emmanuelle; Gómez, Montserrat |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | m1313 - m1314 |
| a | 9.6054 ± 0.0007 Å |
| b | 36.567 ± 0.002 Å |
| c | 14.4207 ± 0.001 Å |
| α | 90° |
| β | 105.038 ± 0.003° |
| γ | 90° |
| Cell volume | 4891.7 ± 0.6 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0999 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.0793 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181288 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/66. |
2236642.cif 2236642.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2236642.cif 2236642.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236642.cif 2236642.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2236642.cif 2236642.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236642.cif 2236642.hkl |
| 70237 | 2012-12-21 | cif/ Adding structures of 2236642 via cif-deposit CGI script. |
2236642.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.