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Information card for entry 2236700
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| Coordinates | 2236700.cif |
|---|---|
| Structure factors | 2236700.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)copper(II) monohydrate |
|---|---|
| Formula | C12 H18 Cu N4 O5 S |
| Calculated formula | C12 H16 Cu N4 O5 S |
| Title of publication | Bis(benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)copper(II) monohydrate |
| Authors of publication | Djebli, Yacine; Boufas, Sihem; Bencharif, Leila; Roisnel, Thierry; Bencharif, Mustafa |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | m1411 - m1412 |
| a | 18.6794 ± 0.0004 Å |
| b | 7.5317 ± 0.0002 Å |
| c | 21.9757 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3091.71 ± 0.13 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.0966 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181289 (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 2/23/67. |
2236700.cif 2236700.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. |
2236700.cif 2236700.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236700.cif 2236700.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. | 2236700.cif 2236700.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236700.cif 2236700.hkl |
| 70300 | 2012-12-21 | cif/ Adding structures of 2236700 via cif-deposit CGI script. |
2236700.cif |
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Users of the data should acknowledge the original authors of the
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