Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2232571
Preview
| Coordinates | 2232571.cif |
|---|---|
| Structure factors | 2232571.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[3-dimethylamino-1-(pyridin-2-yl)prop-2-en-1-one- κ^2^<i>N</i>^1^,<i>O</i>]tris(nitrato-κ^2^<i>O</i>,<i>O</i>)gadolinium(III) ethanol disolvate |
|---|---|
| Formula | C24 H36 Gd N7 O13 |
| Calculated formula | C24 H36 Gd N7 O13 |
| Title of publication | Bis[3-dimethylamino-1-(pyridin-2-yl)prop-2-en-1-one-κ^2^<i>N</i>^1^,<i>O</i>]tris(nitrato-κ^2^<i>O</i>,<i>O</i>)gadolinium(III) ethanol disolvate |
| Authors of publication | Liu, Xia; Hu, Dahua |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1876 |
| a | 21.322 ± 0.002 Å |
| b | 10.9876 ± 0.0011 Å |
| c | 16.3844 ± 0.0016 Å |
| α | 90° |
| β | 121.02 ± 0.002° |
| γ | 90° |
| Cell volume | 3289.5 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0607 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181247 (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 2/23/25. |
2232571.cif 2232571.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. |
2232571.cif 2232571.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232571.cif 2232571.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. | 2232571.cif 2232571.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232571.cif 2232571.hkl |
| 31444 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232571 via cif-deposit CGI script. |
2232571.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.