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Information card for entry 4070057
Preview
| Coordinates | 4070057.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H57 Cu I4 N9 O3 P3 |
|---|---|
| Calculated formula | C24 H57 Cu I4 N9 O3 P3 |
| SMILES | CC[N+]12C[P]3(CN(C1)CN(C2)C3)[Cu](I)([P]12CN3C[N+](C1)(CN(C2)C3)CC)[P]12CN3C[N+](C1)(CN(C2)C3)CC.[I-].O.[I-].[I-].O.O |
| 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 | 21.059 ± 0.001 Å |
| b | 21.059 Å |
| c | 15.2873 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5871.3 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.0314 |
| Residual factor for significantly intense reflections | 0.0279 |
| Weighted residual factors for significantly intense reflections | 0.0684 |
| Weighted residual factors for all reflections included in the refinement | 0.0698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71069 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. |
4070057.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070057.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070057.cif |
| 40581 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070056, 4070057, 4070058 via cif-deposit CGI script. |
4070057.cif |
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