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Information card for entry 4309475
Preview
| Coordinates | 4309475.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H72 Cu2 N20 |
|---|---|
| Calculated formula | C32 H72 Cu2 N20 |
| SMILES | C(CCC)[N+](CCCC)(CCCC)CCCC.[N]1(=N#N)[Cu](N=N#N)(N=N#N)[N](=N#N)[Cu]1(N=N#N)N=N#N.C(CCC)[N+](CCCC)(CCCC)CCCC |
| Title of publication | Cation-Dependent Nuclearity of the Copper-Azido Moiety: Synthesis, Structure, and Magnetic Study |
| Authors of publication | Sandip Saha; Subratanath Koner; Jean-Pierre Tuchagues; Athanassios K. Boudalis; Ken-Ichi Okamoto; Surajit Banerjee; Dasarath Mal |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 6379 - 6385 |
| a | 10.671 ± 0.009 Å |
| b | 12.239 ± 0.009 Å |
| c | 10.591 ± 0.005 Å |
| α | 110.01 ± 0.04° |
| β | 93.91 ± 0.05° |
| γ | 113.28 ± 0.05° |
| Cell volume | 1160.3 ± 1.6 Å3 |
| Cell temperature | 296.2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0629 |
| Weighted residual factors for all reflections included in the refinement | 0.1885 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4309475.cif |
| 287933 | 2023-12-01 | cif/ Removed extra trailing semicolon symbols (';') from data names in entries 1549372, 4309475, 7208838, 7208839, 7208840, 7709641. |
4309475.cif |
| 179132 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/94. |
4309475.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309475.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309475.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309475.cif |
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