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Information card for entry 4512664
Preview
| Coordinates | 4512664.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H36 Cu2 F12 N12 P2 |
|---|---|
| Calculated formula | C36 H36 Cu2 F12 N12 P2 |
| SMILES | c1ccccc1.c12n3CCn4c2[n](cc4)[Cu]24[Cu]([n]1cc3)([n]1c3n(cc1)CCn1cc[n]2c31)[n]1ccn2c1c1[n]4ccn1CC2.[P](F)(F)(F)(F)(F)[F-].c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket |
| Authors of publication | Ferguson, Jayne L.; Fitchett, Christopher M. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 1280 |
| a | 13.3566 ± 0.0002 Å |
| b | 26.8329 ± 0.0005 Å |
| c | 12.1604 ± 0.0002 Å |
| α | 90° |
| β | 105.069 ± 0.002° |
| γ | 90° |
| Cell volume | 4208.38 ± 0.13 Å3 |
| Cell temperature | 290.81 ± 0.1 K |
| Ambient diffraction temperature | 290.81 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0344 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.0876 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4512664.cif |
| 179674 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/26. |
4512664.cif |
| 134742 | 2015-04-04 | cif/ Updating files of 4512656, 4512657, 4512658, 4512659, 4512660, 4512661, 4512662, 4512663, 4512664, 4512665 Original log message: Adding full bibliography for 4512656--4512665.cif. |
4512664.cif |
| 131281 | 2015-02-07 | cif/ Adding structures of 4512656, 4512657, 4512658, 4512659, 4512660, 4512661, 4512662, 4512663, 4512664, 4512665 via cif-deposit CGI script. |
4512664.cif |
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Users of the data should acknowledge the original authors of the
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