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Information card for entry 2232840
Preview
| Coordinates | 2232840.cif |
|---|---|
| Structure factors | 2232840.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-azido-κ^4^<i>N</i>:<i>N</i>-bis{aqua[bis(1<i>H</i>- benzimidazol-2-ylmethyl)amine]copper(II)} dinitrate |
|---|---|
| Formula | C32 H34 Cu2 N18 O8 |
| Calculated formula | C32 H34 Cu2 N18 O8 |
| SMILES | C1c2[n](c3c([nH]2)cccc3)[Cu]2([NH]1Cc1[n]2c2ccccc2[nH]1)N=N#N.N(=O)(=O)[O-].O |
| Title of publication | Di-μ-azido-κ^4^<i>N</i>:<i>N</i>-bis{aqua[bis(1<i>H</i>-benzimidazol-2-ylmethyl)amine]copper(II)} dinitrate |
| Authors of publication | Luo, Yuan-yuan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1703 - m1704 |
| a | 11.1435 ± 0.001 Å |
| b | 14.1942 ± 0.0012 Å |
| c | 12.6567 ± 0.0011 Å |
| α | 90° |
| β | 112.046 ± 0.001° |
| γ | 90° |
| Cell volume | 1855.6 ± 0.3 Å3 |
| Cell temperature | 289 ± 2 K |
| Ambient diffraction temperature | 289 ± 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 | 0.104 |
| Residual factor for significantly intense reflections | 0.0706 |
| Weighted residual factors for significantly intense reflections | 0.1564 |
| Weighted residual factors for all reflections included in the refinement | 0.1714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mokα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181250 (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 2/23/28. |
2232840.cif 2232840.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. |
2232840.cif 2232840.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232840.cif 2232840.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. | 2232840.cif 2232840.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232840.cif 2232840.hkl |
| 31721 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232840 via cif-deposit CGI script. |
2232840.cif |
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Users of the data should acknowledge the original authors of the
structural data.