Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070058
Preview
| Coordinates | 4070058.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H38 Cu3 I5 N6 P2 |
|---|---|
| Calculated formula | C18 H38 Cu3 I5 N6 P2 |
| SMILES | [I]12[Cu]([I]3[Cu]41(I)[I][Cu]234I)([P]12CN3CN(C1)C[N+](C2)(C3)CCC)[P]12CN3CN(C1)C[N+](C2)(C3)CCC |
| Title of publication | Copper(I) Iodide Complexes Derived fromN-Alkyl-1,3,5-triaza-7-phosphaadamantanes: Synthesis, Crystal Structures, Photoluminescence, and Identification of the Unprecedented {Cu3I5}2−Cluster |
| Authors of publication | Kirillov, Alexander M.; Smoleński, Piotr; Ma, Zhen; da Silva, M. Fátima C. Guedes; Haukka, Matti; Pombeiro, Armando J. L. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 22 |
| Pages of publication | 6425 |
| a | 12.176 ± 0.0011 Å |
| b | 9.4131 ± 0.0009 Å |
| c | 14.5144 ± 0.001 Å |
| α | 90° |
| β | 107.862 ± 0.005° |
| γ | 90° |
| Cell volume | 1583.4 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0512 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0784 |
| Weighted residual factors for all reflections included in the refinement | 0.0837 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178589 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/00. |
4070058.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070058.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070058.cif |
| 40581 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070056, 4070057, 4070058 via cif-deposit CGI script. |
4070058.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.