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Information card for entry 2235303
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| Coordinates | 2235303.cif |
|---|---|
| Structure factors | 2235303.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chlorido{μ-2,6-bis[(2-aminoethyl)iminomethyl]-4-chlorophenolato}-μ-oxido- dicopper(II) trihydrate |
|---|---|
| Formula | C14 H26 Cl2 Cu2 N4 O5 |
| Calculated formula | C14 H26 Cl2 Cu2 N4 O5 |
| SMILES | Clc1cc2C=[N]3[Cu]4(Cl)(O[Cu]56[N](=Cc(c2[O]45)c1)CCC[NH2]6)[NH2]CCC3.O.O.O |
| Title of publication | Chlorido{μ-2,6-bis[(2-aminoethyl)iminomethyl]-4-chlorophenolato}-μ-oxido-dicopper(II) trihydrate |
| Authors of publication | Zhou, Jing-Jing; Xiao, Wei; Mao, Jia-Wei; Zhou, Hong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | m794 - m795 |
| a | 11.201 ± 0.005 Å |
| b | 12.387 ± 0.007 Å |
| c | 16.718 ± 0.007 Å |
| α | 90° |
| β | 93.18 ± 0.04° |
| γ | 90° |
| Cell volume | 2316 ± 1.9 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0754 |
| Residual factor for significantly intense reflections | 0.0607 |
| Weighted residual factors for significantly intense reflections | 0.1686 |
| Weighted residual factors for all reflections included in the refinement | 0.1745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181275 (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 2/23/53. |
2235303.cif 2235303.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. |
2235303.cif 2235303.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235303.cif 2235303.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. | 2235303.cif 2235303.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235303.cif 2235303.hkl |
| 61989 | 2012-07-05 | cif/ Adding structures of 2235303 via cif-deposit CGI script. |
2235303.cif |
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Users of the data should acknowledge the original authors of the
structural data.