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Information card for entry 2240495
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| Coordinates | 2240495.cif |
|---|---|
| Structure factors | 2240495.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[silver(I)-{μ-2,6-bis[(1<i>H</i>-pyrazol-1-yl)methyl]pyridine-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2'^}] nitrate] |
|---|---|
| Formula | C13 H13 Ag N6 O3 |
| Calculated formula | C13 H13 Ag N6 O3 |
| SMILES | [Ag]1([n]2n(ccc2)Cc2[n]1c(ccc2)Cn1nccc1)[n]1n(Cc2[n]3[Ag][n]4n(ccc4)Cc3ccc2)ccc1.N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Crystal structure of <i>catena</i>-poly[[silver(I)-{μ-2,6-bis[(1<i>H</i>-pyrazol-1-yl)methyl]pyridine-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2'^}] nitrate] |
| Authors of publication | Kim, Daeyoung; Kang, Sung Kwon |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | m79 - m80 |
| a | 9.9604 ± 0.0006 Å |
| b | 14.3192 ± 0.0009 Å |
| c | 10.6878 ± 0.0007 Å |
| α | 90° |
| β | 98.91 ± 0.0009° |
| γ | 90° |
| Cell volume | 1505.95 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0354 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for all reflections included in the refinement | 0.0625 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240495.cif 2240495.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240495.cif 2240495.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240495.cif 2240495.hkl |
| 134016 | 2015-03-18 | cif/ hkl/ Adding structures of 2240495 via cif-deposit CGI script. |
2240495.cif 2240495.hkl |
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Users of the data should acknowledge the original authors of the
structural data.