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Information card for entry 2234685
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| Coordinates | 2234685.cif |
|---|---|
| Structure factors | 2234685.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[diaquanickel(II)]-μ-pyrazine-2-carboxylato-silver(I)-\ μ-pyrazine-2-carboxylato] nitrate dihydrate] |
|---|---|
| Formula | C10 H14 Ag N5 Ni O11 |
| Calculated formula | C10 H14 Ag N5 Ni O11 |
| SMILES | [Ag][n]1cc[n]2[Ni]3([OH2])([OH2])(OC(=O)c2c1)OC(=O)c1[n]3cc[n](c1)[Ag][n]1cc[n]2[Ni]3(OC(=O)c2c1)(OC(=O)c1[n]3ccnc1)([OH2])[OH2].O=N(=O)[O-].O=N(=O)[O-].O.O.O.O |
| Title of publication | <i>catena</i>-Poly[[[diaquanickel(II)]-μ-pyrazine-2-carboxylato-silver(I)-μ-pyrazine-2-carboxylato] nitrate dihydrate] |
| Authors of publication | Yang, Min; Chai, Li-Yuan; Yi, Xiao-Yi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | m689 |
| a | 5.1997 ± 0.001 Å |
| b | 27.188 ± 0.005 Å |
| c | 6.4347 ± 0.0013 Å |
| α | 90° |
| β | 111.24 ± 0.03° |
| γ | 90° |
| Cell volume | 847.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0947 |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.2245 |
| Weighted residual factors for all reflections included in the refinement | 0.2445 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181268 (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 2/23/46. |
2234685.cif 2234685.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. |
2234685.cif 2234685.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234685.cif 2234685.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. | 2234685.cif 2234685.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234685.cif 2234685.hkl |
| 60172 | 2012-06-14 | cif/ Adding structures of 2234685 via cif-deposit CGI script. |
2234685.cif |
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Users of the data should acknowledge the original authors of the
structural data.