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Information card for entry 2228935
Preview
| Coordinates | 2228935.cif |
|---|---|
| Structure factors | 2228935.hkl |
| Original IUCr paper | HTML |
| Chemical name | {3-[Bis(2-pyridylmethyl-κ<i>N</i>)amino-κ<i>N</i>]propanol}bis(nitrato- κ<i>O</i>)copper(II) |
|---|---|
| Formula | C15 H19 Cu N5 O7 |
| Calculated formula | C15 H19 Cu N5 O7 |
| SMILES | [Cu]12([n]3ccccc3C[N]1(Cc1[n]2cccc1)CCCO)(ON(=O)=O)ON(=O)=O |
| Title of publication | {3-[Bis(2-pyridylmethyl-κ<i>N</i>)amino-κ<i>N</i>]propanol}bis(nitrato-κ<i>O</i>)copper(II) |
| Authors of publication | Rowthu, Sankara Rao; Shin, Jong Won; Seo, Yu Rim; Min, Kil Sik |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | m85 |
| a | 8.3499 ± 0.0007 Å |
| b | 14.7703 ± 0.0012 Å |
| c | 14.5134 ± 0.0012 Å |
| α | 90° |
| β | 95.055 ± 0.002° |
| γ | 90° |
| Cell volume | 1783 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.132 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1119 |
| Weighted residual factors for all reflections included in the refinement | 0.1508 |
| 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 | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181210 (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 2/22/89. |
2228935.cif 2228935.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. |
2228935.cif 2228935.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228935.cif 2228935.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. | 2228935.cif 2228935.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228935.cif 2228935.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228935.cif 2228935.hkl |
| 10191 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228935 via cif-deposit CGI script. |
2228935.cif |
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Users of the data should acknowledge the original authors of the
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