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Information card for entry 2230668
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| Coordinates | 2230668.cif |
|---|---|
| Structure factors | 2230668.hkl |
| Original IUCr paper | HTML |
| Chemical name | {<i>N</i>,<i>N</i>'-Bis[1-(pyridin-2-yl)ethylidene]propane-1,3- diamine}bromidocopper(II) tetrafluoridoborate |
|---|---|
| Formula | C17 H20 B Br Cu F4 N4 |
| Calculated formula | C17 H20 B Br Cu F4 N4 |
| SMILES | [Cu]123(Br)[n]4c(cccc4)C(=[N]1CCC[N]2=C(C)c1[n]3cccc1)C.[B](F)(F)(F)[F-] |
| Title of publication | {<i>N</i>,<i>N</i>'-Bis[1-(pyridin-2-yl)ethylidene]propane-1,3-diamine}bromidocopper(II) tetrafluoridoborate |
| Authors of publication | Liu, Li-Jun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m878 |
| a | 8.2508 ± 0.0017 Å |
| b | 8.9511 ± 0.0018 Å |
| c | 13.158 ± 0.003 Å |
| α | 92.391 ± 0.002° |
| β | 94.847 ± 0.002° |
| γ | 96.422 ± 0.002° |
| Cell volume | 960.9 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 all reflections | 0.0602 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181228 (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 2/23/06. |
2230668.cif 2230668.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. |
2230668.cif 2230668.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230668.cif 2230668.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2230668.cif 2230668.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230668.cif 2230668.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230668.cif 2230668.hkl |
| 22983 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230668 via cif-deposit CGI script. |
2230668.cif |
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Users of the data should acknowledge the original authors of the
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