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Information card for entry 2240456
Preview
| Coordinates | 2240456.cif |
|---|---|
| Structure factors | 2240456.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | {(But-3-en-1-yl)bis[(pyridin-2-yl)methyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''} dichloridocopper(II) diethyl ether hemisolvate |
|---|---|
| Formula | C18 H24 Cl2 Cu N3 O0.5 |
| Calculated formula | C18 H24 Cl2 Cu N3 O0.5 |
| SMILES | C1[N]2(Cc3cccc[n]3[Cu]2([n]2c1cccc2)(Cl)Cl)CCC=C.O(CC)CC |
| Title of publication | Crystal structure of {(but-3-en-1-yl)bis[(pyridin-2-yl)methyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dichloridocopper(II) diethyl ether hemisolvate |
| Authors of publication | Bussey, Katherine A.; Connell, Jennifer R.; McGlone, Annie R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | 309 - 311 |
| a | 22.1614 ± 0.0013 Å |
| b | 11.5738 ± 0.0005 Å |
| c | 16.453 ± 0.0007 Å |
| α | 90° |
| β | 108.771 ± 0.001° |
| γ | 90° |
| Cell volume | 3995.6 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0392 |
| Residual factor for significantly intense reflections | 0.0276 |
| Weighted residual factors for significantly intense reflections | 0.0667 |
| Weighted residual factors for all reflections included in the refinement | 0.0721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240456.cif 2240456.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240456.cif 2240456.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2240456.cif 2240456.hkl |
| 132452 | 2015-02-26 | cif/ hkl/ Adding structures of 2240456 via cif-deposit CGI script. |
2240456.cif 2240456.hkl |
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Users of the data should acknowledge the original authors of the
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