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Information card for entry 7027743
Preview
| Coordinates | 7027743.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Bis(triphenylphosphine)tris(mu-pyridazine)dicopper(I) hexafluorophosphate dichloromethane adduct (1/1) |
|---|---|
| Formula | C49 H44 Cl2 Cu2 F12 N6 P4 |
| Calculated formula | C49 H44 Cl2 Cu2 F12 N6 P4 |
| Title of publication | The role of hydrogen-bonding interactions in stabilising trigonal planar copper(I) in Cu(BF4)–pyridazine–nitrile systems † |
| Authors of publication | Batsanov, Andrei S.; Begley, Michael J.; George, Michael W.; Hubberstey, Peter; Munakata, Meguma; Russell, Claire E.; Walton, Paul H. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1999 |
| Journal issue | 23 |
| Pages of publication | 4251 |
| a | 29.281 ± 0.009 Å |
| b | 8.567 ± 0.003 Å |
| c | 21.389 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5365 ± 3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n a m |
| Hall space group symbol | -P 2c 2n |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Goodness-of-fit parameter for significantly intense reflections | 1.0223 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7027743.cif |
| 179983 | 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 7/02/77. |
7027743.cif |
| 95693 | 2014-01-28 | cif/ Adding structures of 7027739, 7027740, 7027741, 7027742, 7027743 via cif-deposit CGI script. |
7027743.cif |
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Users of the data should acknowledge the original authors of the
structural data.