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Information card for entry 2230535
Preview
| Coordinates | 2230535.cif |
|---|---|
| Structure factors | 2230535.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(nitrato-κ<i>O</i>)(3-oxapentane-1,5-diamine- κ^3^<i>N</i>,<i>O</i>,<i>N</i>')zinc(II) |
|---|---|
| Formula | C4 H12 N4 O7 Zn |
| Calculated formula | C4 H12 N4 O7 Zn |
| SMILES | C1C[O]2CC[NH2][Zn]2([NH2]1)(ON(=O)=O)ON(=O)=O |
| Title of publication | Bis(nitrato-κ<i>O</i>)(3-oxapentane-1,5-diamine-κ^3^<i>N</i>,<i>O</i>,<i>N</i>')zinc(II) |
| Authors of publication | Jia, Fei; Kou, Fan; Liu, Bin; Jia, Bei-Bei; Wu, Hui-Lu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m764 |
| a | 8.031 ± 0.019 Å |
| b | 8.034 ± 0.019 Å |
| c | 9.55 ± 0.02 Å |
| α | 103.97 ± 0.02° |
| β | 101.9 ± 0.02° |
| γ | 115.879 ± 0.018° |
| Cell volume | 503 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0306 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.063 |
| Weighted residual factors for all reflections included in the refinement | 0.0647 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181227 (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 2/23/05. |
2230535.cif 2230535.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. |
2230535.cif 2230535.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230535.cif 2230535.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. | 2230535.cif 2230535.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230535.cif 2230535.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230535.cif 2230535.hkl |
| 22529 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230535 via cif-deposit CGI script. |
2230535.cif |
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Users of the data should acknowledge the original authors of the
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