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Information card for entry 2234383
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| Coordinates | 2234383.cif |
|---|---|
| Structure factors | 2234383.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-nitrito-κ^2^<i>O</i>:<i>O</i>)bis[bis(1-methyl-1<i>H</i>-imidazole- κ<i>N</i>^3^)(nitrito-κ<i>O</i>)copper(II)] |
|---|---|
| Formula | C16 H24 Cu2 N12 O8 |
| Calculated formula | C16 H24 Cu2 N12 O8 |
| SMILES | O=NO[Cu]([n]1ccn(c1)C)([n]1ccn(c1)C)ON=O |
| Title of publication | Bis(μ-nitrito-κ^2^<i>O</i>:<i>O</i>)bis[bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(nitrito-κ<i>O</i>)copper(II)] |
| Authors of publication | Zhu, Run-Qiang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m398 |
| a | 7.8281 ± 0.0016 Å |
| b | 8.4873 ± 0.0017 Å |
| c | 10.054 ± 0.002 Å |
| α | 80.35 ± 0.03° |
| β | 77.72 ± 0.03° |
| γ | 79.46 ± 0.03° |
| Cell volume | 635.9 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0466 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.0909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181265 (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 2/23/43. |
2234383.cif 2234383.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. |
2234383.cif 2234383.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234383.cif 2234383.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. | 2234383.cif 2234383.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234383.cif 2234383.hkl |
| 55656 | 2012-05-05 | cif/ Adding structures of 2234383 via cif-deposit CGI script. |
2234383.cif |
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Users of the data should acknowledge the original authors of the
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