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Information card for entry 2210669
Preview
| Coordinates | 2210669.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Di-μ-chloro-bis({methyl [N,N-bis(2-pyridylmethyl)amino]acetate- κ^4^N,N',N'',O}copper(II)) diperchlorate monohydrate |
|---|---|
| Formula | C30 H36 Cl4 Cu2 N6 O13 |
| Calculated formula | C30 H36 Cl4 Cu2 N6 O13 |
| SMILES | c1cc2C[N]34Cc5[n]([Cu]4([n]2cc1)([O]=C(OC)C3)Cl)cccc5.Cl(=O)(=O)(=O)[O-].O |
| Title of publication | Di-μ-chloro-bis({methyl [<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)amino]acetate- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}copper(II)) diperchlorate monohydrate |
| Authors of publication | Nielsen, Anne; McKenzie, Christine J.; Bond, Andrew D. |
| Journal of publication | Acta Crystallographica, Section E |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 10 |
| Pages of publication | m2453 - m2454 |
| a | 19.1398 ± 0.0007 Å |
| b | 8.5993 ± 0.0003 Å |
| c | 24.1605 ± 0.0008 Å |
| α | 90° |
| β | 111.38 ± 0.001° |
| γ | 90° |
| Cell volume | 3702.9 ± 0.2 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0694 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.1158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176787 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/21. |
2210669.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2210669.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2210669.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2210669.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
2210669.cif |
| 326 | 2008-04-03 | Adding all Acta Cryst. B, C, and E missing retrospective CIF files up to 2008 February, generated from the files that were automatically downloaded from the IUCr site. |
2210669.cif |
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Users of the data should acknowledge the original authors of the
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