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Information card for entry 2235617
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| Coordinates | 2235617.cif |
|---|---|
| Structure factors | 2235617.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-azido-κ^4^<i>N</i>:<i>N</i>-bis({2-[(3-amino-2,2- dimethylpropyl)iminomethyl]-6-methoxyphenolato- 1κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^}copper(II)) |
|---|---|
| Formula | C26 H38 Cu2 N10 O4 |
| Calculated formula | C26 H38 Cu2 N10 O4 |
| SMILES | COc1c2O[Cu]34([N](=Cc2ccc1)CC(C[NH2]3)(C)C)[N](=N#N)[Cu]12(Oc3c(cccc3C=[N]1CC(C[NH2]2)(C)C)OC)[N]4=N#N |
| Title of publication | Di-μ-azido-κ^4^<i>N</i>:<i>N</i>-bis({2-[(3-amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^}copper(II)) |
| Authors of publication | Ghaemi, Akbar; Rayati, Saeed; Fayyazi, Kazem; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | m993 - m994 |
| a | 9.1733 ± 0.0005 Å |
| b | 12.2369 ± 0.0005 Å |
| c | 13.0988 ± 0.0006 Å |
| α | 90° |
| β | 98.203 ± 0.005° |
| γ | 90° |
| Cell volume | 1455.33 ± 0.12 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0539 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0909 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181278 (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 2/23/56. |
2235617.cif 2235617.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. |
2235617.cif 2235617.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235617.cif 2235617.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. | 2235617.cif 2235617.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235617.cif 2235617.hkl |
| 64089 | 2012-08-11 | cif/ Adding structures of 2235617 via cif-deposit CGI script. |
2235617.cif |
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Users of the data should acknowledge the original authors of the
structural data.