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Information card for entry 2239629
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| Coordinates | 2239629.cif |
|---|---|
| Structure factors | 2239629.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>catena</i>-Poly[[bis(dicyanamido-κ<i>N</i>^1^)cobalt(II)]bis{μ-1,2-bis[(1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^}] |
|---|---|
| Formula | C28 H24 Co N18 |
| Calculated formula | C28 H24 Co N18 |
| SMILES | [Co]1(N=C=NC#N)(N=C=NC#N)[n]2cnn(c2)Cc2c(cccc2)Cn2nc[n](c2)[Co](N=C=NC#N)(N=C=NC#N)([n]2cnn(Cc3c(cccc3)Cn3nc[n]1c3)c2)([n]1cnn(Cc2c(cccc2)Cn2ncnc2)c1)[n]1cnn(Cc2c(cccc2)Cn2ncnc2)c1 |
| Title of publication | <i>catena</i>-Poly[[bis(dicyanamido-κ<i>N</i>^1^)cobalt(II)]bis{μ-1,2-bis[(1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^}] |
| Authors of publication | Zhang, Jixia; Shen, Xiaoping |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | m244 |
| a | 8.517 ± 0.002 Å |
| b | 9.092 ± 0.002 Å |
| c | 9.622 ± 0.003 Å |
| α | 93.984 ± 0.007° |
| β | 95.015 ± 0.007° |
| γ | 97.587 ± 0.007° |
| Cell volume | 733.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0675 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1009 |
| Weighted residual factors for all reflections included in the refinement | 0.1105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239629.cif 2239629.hkl |
| 181315 | 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 2/23/96. |
2239629.cif 2239629.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. |
2239629.cif 2239629.hkl |
| 115551 | 2014-06-04 | cif/ hkl/ Adding structures of 2239629 via cif-deposit CGI script. |
2239629.cif 2239629.hkl |
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Users of the data should acknowledge the original authors of the
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