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Information card for entry 2227015
Preview
| Coordinates | 2227015.cif |
|---|---|
| Structure factors | 2227015.hkl |
| Original IUCr paper | HTML |
| Chemical name | [1,2-Bis(2-pyridylmethoxy)benzene- κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']bis(nitrato-κ<i>O</i>)copper(II) |
|---|---|
| Formula | C18 H16 Cu N4 O8 |
| Calculated formula | C18 H16 Cu N4 O8 |
| SMILES | c1cccc2C[O]3c4ccccc4[O]4Cc5cccc[n]5[Cu]534([n]12)(ON(=O)=O)ON(=[O]5)=O |
| Title of publication | [1,2-Bis(2-pyridylmethoxy)benzene-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']bis(nitrato-κ<i>O</i>)copper(II) |
| Authors of publication | Yu, Ying-Hui; Gao, Jin-Sheng; Wang, Li-Xin; Liu, Ying; Hou, Guang-Feng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 8 |
| Pages of publication | m872 |
| a | 8.621 ± 0.005 Å |
| b | 10.826 ± 0.006 Å |
| c | 10.887 ± 0.006 Å |
| α | 78.75 ± 0.02° |
| β | 77.59 ± 0.019° |
| γ | 76.54 ± 0.02° |
| Cell volume | 953.8 ± 0.9 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 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 | 0.0721 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181191 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/70. |
2227015.cif 2227015.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227015.cif 2227015.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227015.cif 2227015.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. | 2227015.cif 2227015.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227015.cif 2227015.hkl |
| 1704 | 2010-11-03 | hkl/2/ Adding Fobs files for the recently deposited IUCr data. |
2227015.cif 2227015.hkl |
| 1553 | 2010-10-08 | cif/2/ Adding data from Acta-Cryst-E-2010_08/. |
2227015.cif |
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Users of the data should acknowledge the original authors of the
structural data.