Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4334902
Preview
| Coordinates | 4334902.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C125 H125 N73 Na2 O2 Sm6 |
|---|---|
| Calculated formula | C125 H125 N73 Na2 O2 Sm6 |
| SMILES | c1cccc[n]1[Sm]123456[N]7(=N#N)[Sm]89([O]%103[Sm]3%11%12([N](=N#N)[Sm]%13([O]4%12[Sm]([N]1=N#N)([N]2=N#N)(N=N#N)([n]1ccccc1)([n]1ccccc1)([N]%11=N#N)[N]%13=N#N)([N]6=N#N)(N=N#N)([n]1ccccc1)[n]1ccccc1)([N]1(=N#N)[Sm]%10([N]3=N#N)(N=N#[N][Na]1([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)([N]5=N#N)([N]9=N#N)([n]1ccccc1)[n]1ccccc1)([N]8=N#N)[n]1ccccc1)([n]1ccccc1)([n]1ccccc1)N=N#[N][Na]7([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.c1ccncc1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1 |
| Title of publication | Lanthanide Clusters with Azide Capping Ligands |
| Authors of publication | Brian F. Moore; Thomas J. Emge; John G. Brennan |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 6021 - 6027 |
| a | 25.523 ± 0.003 Å |
| b | 18.941 ± 0.0018 Å |
| c | 33.039 ± 0.003 Å |
| α | 90° |
| β | 112.106 ± 0.002° |
| γ | 90° |
| Cell volume | 14798 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0777 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.1276 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179452 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/49. |
4334902.cif |
| 100787 | 2014-02-07 | cif/ Adding structures of 4334902 via cif-deposit CGI script. |
4334902.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.