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Information card for entry 2227657
Preview
| Coordinates | 2227657.cif |
|---|---|
| Structure factors | 2227657.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aqua{4,4',6,6'-tetrafluoro-2,2'-[(piperazine-1,4- diyl)dimethylene]diphenolato}copper(II) |
|---|---|
| Formula | C18 H18 Cu F4 N2 O3 |
| Calculated formula | C18 H18 Cu F4 N2 O3 |
| SMILES | [Cu]123(Oc4c(F)cc(F)cc4C[N]42CC[N]3(CC4)Cc2cc(F)cc(F)c2O1)[OH2] |
| Title of publication | Aqua{4,4',6,6'-tetrafluoro-2,2'-[(piperazine-1,4-diyl)dimethylene]diphenolato}copper(II) |
| Authors of publication | Kubono, Koji; Tsuno, Yuki; Tani, Keita; Yokoi, Kunihiko |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | m1397 - m1398 |
| a | 8.0157 ± 0.0017 Å |
| b | 9.6873 ± 0.001 Å |
| c | 11.7693 ± 0.0012 Å |
| α | 83.743 ± 0.009° |
| β | 87.763 ± 0.012° |
| γ | 74.42 ± 0.011° |
| Cell volume | 875 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for all reflections included in the refinement | 0.1084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181197 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/76. |
2227657.cif 2227657.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227657.cif 2227657.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227657.cif 2227657.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. | 2227657.cif 2227657.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227657.cif 2227657.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227657.cif 2227657.hkl |
| 4694 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227657 via cif-deposit CGI script. |
2227657.cif |
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Users of the data should acknowledge the original authors of the
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