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Information card for entry 7027192
Preview
| Coordinates | 7027192.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [LCu2](BF4)2-CH2Cl2 |
|---|---|
| Formula | C52 H59 B2 Cl2 Cu2 F8 N9 |
| Calculated formula | C52 H59 B2 Cl2 Cu2 F8 N9 |
| Title of publication | Co-ordination chemistry of CuI with 1,3,5-tris[bis(pyridin-2-ylmethyl)aminomethyl]-2,4,6-triethylbenzene, a conformationally constrained trinucleating ligand |
| Authors of publication | Walsdorff, Christian; Park, Sunyoung; Kim, Jeongho; Heo, Jungseok; Park, Ki-Min; Oh, Jinho; Kim, Kimoon |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1999 |
| Journal issue | 6 |
| Pages of publication | 923 |
| a | 10.034 ± 0.004 Å |
| b | 27.69 ± 0.03 Å |
| c | 19.83 ± 0.02 Å |
| α | 90° |
| β | 92.45 ± 0.05° |
| γ | 90° |
| Cell volume | 5505 ± 8 Å3 |
| Cell temperature | 188 ± 2 K |
| Ambient diffraction temperature | 188 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.13 |
| Residual factor for significantly intense reflections | 0.0783 |
| Weighted residual factors for significantly intense reflections | 0.1368 |
| Weighted residual factors for all reflections included in the refinement | 0.1602 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.181 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7027192.cif |
| 179977 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/71. |
7027192.cif |
| 95130 | 2014-01-28 | cif/ Adding structures of 7027188, 7027189, 7027190, 7027191, 7027192, 7027193 via cif-deposit CGI script. |
7027192.cif |
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Users of the data should acknowledge the original authors of the
structural data.