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Information card for entry 2238376
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| Coordinates | 2238376.cif |
|---|---|
| Structure factors | 2238376.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[μ-3,5-bis(pyridin-2-yl)pyrazolato]bis[(hexafluorophosphato)copper(II)] |
|---|---|
| Formula | C26 H18 Cu2 F12 N8 P2 |
| Calculated formula | C26 H18 Cu2 F12 N8 P2 |
| SMILES | [F]([P](F)(F)(F)(F)F)[Cu]123n4c(cc5c6cccc[n]6[Cu]6([n]45)([F][P](F)(F)(F)(F)F)n4c(cc(c5cccc[n]15)[n]24)c1[n]6cccc1)c1[n]3cccc1 |
| Title of publication | Bis[μ-3,5-bis(pyridin-2-yl)pyrazolato]bis[(hexafluorophosphato)copper(II)] |
| Authors of publication | Mishima, Akio; Katsuta, Nagisa; Furusyou, Midori; Fuyuhiro, Akira; Kawata, Satoshi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | m455 - m456 |
| a | 6.3558 ± 0.0004 Å |
| b | 21.2388 ± 0.0014 Å |
| c | 10.9252 ± 0.0009 Å |
| α | 90° |
| β | 95.753 ± 0.002° |
| γ | 90° |
| Cell volume | 1467.36 ± 0.18 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for all reflections included in the refinement | 0.0739 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/83. |
2238376.cif 2238376.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238376.cif 2238376.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238376.cif 2238376.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238376.cif 2238376.hkl |
| 88219 | 2013-09-04 | cif/ Adding structures of 2238376 via cif-deposit CGI script. |
2238376.cif |
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