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Information card for entry 2227764
Preview
| Coordinates | 2227764.cif |
|---|---|
| Structure factors | 2227764.hkl |
| Original IUCr paper | HTML |
| Chemical name | [μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-pyridylmethyl)butane- 1,4-diamine]bis[dibromidocopper(II)] |
|---|---|
| Formula | C28 H32 Br4 Cu2 N6 |
| Calculated formula | C28 H32 Br4 Cu2 N6 |
| SMILES | C1c2cccc[n]2[Cu]2([N]1(Cc1cccc[n]21)CCCC[N]12Cc3cccc[n]3[Cu]2([n]2c(C1)cccc2)(Br)Br)(Br)Br |
| Title of publication | [μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-pyridylmethyl)butane-1,4-diamine]bis[dibromidocopper(II)] |
| Authors of publication | Bartholomä, Mark; Cheung, Hoi; Zubieta, Jon |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m1198 |
| a | 8.8613 ± 0.0006 Å |
| b | 14.249 ± 0.001 Å |
| c | 11.9488 ± 0.0009 Å |
| α | 90° |
| β | 98.588 ± 0.002° |
| γ | 90° |
| Cell volume | 1491.8 ± 0.18 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0843 |
| Residual factor for significantly intense reflections | 0.0736 |
| Weighted residual factors for significantly intense reflections | 0.144 |
| Weighted residual factors for all reflections included in the refinement | 0.1474 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.375 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181198 (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 2/22/77. |
2227764.cif 2227764.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. |
2227764.cif 2227764.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227764.cif 2227764.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. | 2227764.cif 2227764.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227764.cif 2227764.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227764.cif 2227764.hkl |
| 4801 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227764 via cif-deposit CGI script. |
2227764.cif |
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Users of the data should acknowledge the original authors of the
structural data.