Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4329154
Preview
| Coordinates | 4329154.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C98 H78 Ag4 B6 F24 Fe2 N30 O12 |
|---|---|
| Calculated formula | C98 H78 Ag4 B6 F24 Fe2 N30 O12 |
| SMILES | [Fe]12345n6[n]7[Ag]89[Ag]%10([n]%11c(c7cc6c6[n]1c(ccc6)c1[n]2cccc1)cccc%11c1[n]%10cccc1)[n]1n2[Fe]67%10([n]%11c(c2cc1c1[n]8c(ccc1)c1[n]9cccc1)cccc%11c1[n]6cccc1)n1[n]2[Ag]68[Ag]9([n]%11c(c2cc1c1[n]7c(ccc1)c1[n]%10cccc1)cccc%11c1[n]9cccc1)[n]1n3c(cc1c1[n]6c(ccc1)c1[n]8cccc1)c1[n]4c(ccc1)c1[n]5cccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N(=O)(=O)C.N(=O)(=O)C.N(=O)(=O)C.N(=O)(=O)C.N(=O)(=O)C.N(=O)(=O)C |
| Title of publication | Grid Expansion: a Rhombiclike [L4Fe2(Ag2)2] Complex Containing Ag2 Dumbbells at Two Vertices |
| Authors of publication | Benjamin Schneider; Serhiy Demeshko; Sebastian Dechert; Franc Meyer |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 4912 - 4914 |
| a | 15.7063 ± 0.0008 Å |
| b | 19.1343 ± 0.0008 Å |
| c | 20.4113 ± 0.0008 Å |
| α | 66.06 ± 0.003° |
| β | 79.413 ± 0.004° |
| γ | 87.507 ± 0.004° |
| Cell volume | 5507.7 ± 0.4 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0956 |
| Residual factor for significantly intense reflections | 0.074 |
| Weighted residual factors for significantly intense reflections | 0.1941 |
| Weighted residual factors for all reflections included in the refinement | 0.2064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179394 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/91. |
4329154.cif |
| 78194 | 2013-04-01 | cif/ Adding structures of 4329154 via cif-deposit CGI script. |
4329154.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.