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Information card for entry 2233689
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| Coordinates | 2233689.cif |
|---|---|
| Structure factors | 2233689.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquabis(<i>N</i>,<i>N</i>-diethylpyridine-3-carboxamide-κ<i>N</i>^1^)bis{4- [2-(2,4-dioxopentan-3-ylidene)hydrazin-1-yl]benzoato-κ<i>O</i>}copper(II) |
|---|---|
| Formula | C44 H54 Cu N8 O12 |
| Calculated formula | C44 H54 Cu N8 O12 |
| Title of publication | Diaquabis(<i>N</i>,<i>N</i>-diethylpyridine-3-carboxamide-κ<i>N</i>^1^)bis{4-[2-(2,4-dioxopentan-3-ylidene)hydrazin-1-yl]benzoato-κ<i>O</i>}copper(II) |
| Authors of publication | Alieva, Rafiqa A.; Mardanova, Vusala I.; Chyraqov, Famil M.; Gurbanov, Atash V.; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m127 |
| a | 7.7429 ± 0.0004 Å |
| b | 8.7029 ± 0.0004 Å |
| c | 19.0069 ± 0.0009 Å |
| α | 85.695 ± 0.001° |
| β | 83.218 ± 0.001° |
| γ | 64.882 ± 0.001° |
| Cell volume | 1151.12 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1262 |
| Weighted residual factors for all reflections included in the refinement | 0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181258 (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 2/23/36. |
2233689.cif 2233689.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. |
2233689.cif 2233689.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233689.cif 2233689.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. | 2233689.cif 2233689.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233689.cif 2233689.hkl |
| 38503 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233689 via cif-deposit CGI script. |
2233689.cif |
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Users of the data should acknowledge the original authors of the
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