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Information card for entry 2233880
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| Coordinates | 2233880.cif |
|---|---|
| Structure factors | 2233880.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chloridobis(1,2,3,4-tetrahydro-1,4,6,11-tetraazanaphthacene- κ<i>N</i>^6^)copper(I) |
|---|---|
| Formula | C28 H24 Cl Cu N8 |
| Calculated formula | C28 H24 Cl Cu N8 |
| SMILES | Cl[Cu]([n]1c2ccccc2nc2c1cc1NCCNc1c2)[n]1c2ccccc2nc2c1cc1NCCNc1c2 |
| Title of publication | Chloridobis(1,2,3,4-tetrahydro-1,4,6,11-tetraazanaphthacene-κ<i>N</i>^6^)copper(I) |
| Authors of publication | Chen, Xing-Shun; Zhang, Jing-Jing; Duan, Tai-Ke; Chen, Qun; Zhang, Qian-Feng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m297 |
| a | 16.987 ± 0.004 Å |
| b | 11.606 ± 0.003 Å |
| c | 14.487 ± 0.004 Å |
| α | 90° |
| β | 118.492 ± 0.003° |
| γ | 90° |
| Cell volume | 2510.2 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0428 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0991 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181260 (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 2/23/38. |
2233880.cif 2233880.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. |
2233880.cif 2233880.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233880.cif 2233880.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. | 2233880.cif 2233880.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233880.cif 2233880.hkl |
| 51132 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233880 via cif-deposit CGI script. |
2233880.cif |
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Users of the data should acknowledge the original authors of the
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