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Information card for entry 2232600
Preview
| Coordinates | 2232600.cif |
|---|---|
| Structure factors | 2232600.hkl |
| Original IUCr paper | HTML |
| Common name | 1λ^5^,4λ^5^-Diazatetracyclo[6.6.2.0^4,16^.0^11,15^hexadeca- 1(15),4(16),5,7,9,11,13-heptaene-1,4-bis(ylium) tri-iodidocuprate(I) |
|---|---|
| Chemical name | 4,5-Dihydro-3a,5a-diazoniapyrene triiodidocuprate(I) |
| Formula | C14 H12 Cu I3 N2 |
| Calculated formula | C14 H12 Cu I3 N2 |
| SMILES | [I-][Cu](I)[I-].[n+]12cccc3ccc4ccc[n+](c4c13)CC2 |
| Title of publication | 4,5-Dihydro-3a,5a-diazoniapyrene triiodidocuprate(I) |
| Authors of publication | Wu, Di; Hao, Peng-Chao; Niu, Yun-Yin; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1839 |
| a | 7.6018 ± 0.0006 Å |
| b | 15.0917 ± 0.0012 Å |
| c | 14.2776 ± 0.0012 Å |
| α | 90° |
| β | 98.903 ± 0.001° |
| γ | 90° |
| Cell volume | 1618.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0402 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0596 |
| Weighted residual factors for all reflections included in the refinement | 0.0645 |
| 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 |
|---|---|---|---|
| 181248 (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 2/23/26. |
2232600.cif 2232600.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. |
2232600.cif 2232600.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232600.cif 2232600.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. | 2232600.cif 2232600.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232600.cif 2232600.hkl |
| 31473 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232600 via cif-deposit CGI script. |
2232600.cif |
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Users of the data should acknowledge the original authors of the
structural data.