Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4325148
Preview
| Coordinates | 4325148.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | tetrakis(triisopropylphosphino)-hexakis(copper-phenylselenolate) |
|---|---|
| Chemical name | tris(μ~3~-phenylselenido)-tris(μ~2~-phenylselenido) -tetrakis(triisopropylphosphine)-hexa-copper |
| Formula | C72 H114 Cu6 P4 Se6 |
| Calculated formula | C72 H114 Cu6 P4 Se6 |
| SMILES | [Cu]1([Se]([Cu]2[Se]3(c4ccccc4)[Cu]([Se]4(c5ccccc5)[Cu]([Se]2([Cu]([Se]([Cu]34[P](C(C)C)(C(C)C)C(C)C)c2ccccc2)[P](C(C)C)(C(C)C)C(C)C)c2ccccc2)[P](C(C)C)(C(C)C)C(C)C)[Se]1c1ccccc1)c1ccccc1)[P](C(C)C)(C(C)C)C(C)C |
| Title of publication | Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding |
| Authors of publication | Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 4742 - 4752 |
| a | 14.9051 ± 0.0007 Å |
| b | 16.5766 ± 0.0009 Å |
| c | 18.5139 ± 0.001 Å |
| α | 102.399 ± 0.004° |
| β | 103.369 ± 0.004° |
| γ | 100.992 ± 0.004° |
| Cell volume | 4205.3 ± 0.4 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0451 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0651 |
| Weighted residual factors for all reflections included in the refinement | 0.0703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4325148.cif |
| 179354 | 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 4/32/51. |
4325148.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325148.cif |
| 43601 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4325148 via cif-deposit CGI script. |
4325148.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.