Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2236809
Preview
| Coordinates | 2236809.cif |
|---|---|
| Structure factors | 2236809.hkl |
| Original IUCr paper | HTML |
| Common name | Dicarbonyl(1-phenyl-1,3-butanedionato)rhodium(I) |
|---|---|
| Chemical name | (Benzoylacetonato-κ^2^<i>O</i>,<i>O</i>')dicarbonylrhodium(I) |
| Formula | C12 H9 O4 Rh |
| Calculated formula | C12 H9 O4 Rh |
| Title of publication | (Benzoylacetonato-κ^2^<i>O</i>,<i>O</i>')dicarbonylrhodium(I) |
| Authors of publication | Pretorius, Carla; Roodt, Andreas |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1451 - m1452 |
| a | 7.5887 ± 0.0002 Å |
| b | 6.7522 ± 0.0001 Å |
| c | 22.5299 ± 0.0005 Å |
| α | 90° |
| β | 98.85 ± 0.001° |
| γ | 90° |
| Cell volume | 1140.7 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0214 |
| Residual factor for significantly intense reflections | 0.0178 |
| Weighted residual factors for all reflections included in the refinement | 0.048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181290 (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 2/23/68. |
2236809.cif 2236809.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. |
2236809.cif 2236809.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236809.cif 2236809.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. | 2236809.cif 2236809.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. |
2236809.cif 2236809.hkl |
| 71056 | 2013-01-18 | cif/ Adding structures of 2236809 via cif-deposit CGI script. |
2236809.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.