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Information card for entry 4309473
Preview
| Coordinates | 4309473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C88 H72 Cl6 Cu2 F12 N4 P6 |
|---|---|
| Calculated formula | C88 H72 Cl6 Cu2 F12 N4 P6 |
| SMILES | c1([P](c2ccccc2)([Cu]2([n]3ccccc3c3[n]2cc2[n](c3)[Cu]([n]3ccccc23)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)ccccc1.[P](F)(F)(F)(F)(F)[F-].ClC(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)(Cl)Cl |
| Title of publication | Synthesis, Structure, Spectroscopic Properties, and Photochemistry of Homo- and Heteropolynuclear Copper(I) Complexes Bridged by the 2,5-Bis(2-pyridyl)pyrazine Ligand |
| Authors of publication | Taro Tsubomura; Shinya Enoto; Shinya Endo; Tsuyoshi Tamane; Kenji Matsumoto; Toshiaki Tsukuda |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 6373 - 6378 |
| a | 13.974 ± 0.002 Å |
| b | 13.993 ± 0.002 Å |
| c | 13.537 ± 0.002 Å |
| α | 101.98 ± 0.01° |
| β | 103.22 ± 0.01° |
| γ | 113.9 ± 0.01° |
| Cell volume | 2217.8 ± 0.6 Å3 |
| Cell temperature | 296.2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.1725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| 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. |
4309473.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4309473.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309473.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309473.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). |
4309473.cif |
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