Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7006824
Preview
| Coordinates | 7006824.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H52 N6 Yb2 |
|---|---|
| Calculated formula | C46 H52 N6 Yb2 |
| SMILES | [Yb]123456789%10([NH]([Yb]%11%12%13%14%15%16%17%18%19([NH]1c1nc(cc([n]%181)C)C)([cH]1[cH]%11[cH]%12[cH]%13[cH]%141)[cH]1[cH]%17[cH]%19[cH]%16[cH]%151)c1nc(cc([n]21)C)C)([cH]1[cH]3[cH]4[cH]%10[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91.c1ccccc1C.c1ccccc1C |
| Title of publication | A structural and magnetic study of organolanthanide(III) amides. |
| Authors of publication | Layfield, Richard A.; Bashall, Alan; McPartlin, Mary; Rawson, Jeremy M.; Wright, Dominic S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 13 |
| Pages of publication | 1660 - 1666 |
| a | 13.12 ± 0.0002 Å |
| b | 13.6353 ± 0.0003 Å |
| c | 23.2134 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4152.76 ± 0.13 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0445 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.1062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179772 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/68. |
7006824.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006824.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006824.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006824.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.