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Information card for entry 4310271
Preview
| Coordinates | 4310271.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H8 Ag N5 O3 |
|---|---|
| Calculated formula | C12 H8 Ag N5 O3 |
| SMILES | c1c(ccc[n]1[Ag][n]1cc(ccc1)C#N)C#N.N(=O)(=O)[O-] |
| Title of publication | New 1- and 2-Dimensional Polymeric Structures of Cyanopyridine Complexes of AgI and CuI |
| Authors of publication | Ping Lin; Richard A. Henderson; Ross W. Harrington; William Clegg; Chuan-De Wu; Xin-Tao Wu |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 181 - 188 |
| a | 27.356 ± 0.006 Å |
| b | 6.5352 ± 0.0015 Å |
| c | 3.7201 ± 0.0009 Å |
| α | 90° |
| β | 92.481 ± 0.004° |
| γ | 90° |
| Cell volume | 664.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0611 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1573 |
| Weighted residual factors for all reflections included in the refinement | 0.1624 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4310271.cif |
| 179141 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/02. |
4310271.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310271.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310271.cif |
| 31986 | 2012-01-04 | cif/ Changing more tags to match the dictionary specifications: -_diffrn_standards_interval_count none -_diffrn_standards_interval_time none -_diffrn_standards_number none +_diffrn_standards_interval_count 0 +_diffrn_standards_interval_time . +_diffrn_standards_number 0 |
4310271.cif |
| 1759 | 2010-11-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4310271 via cif-deposit CGI script. |
4310271.cif |
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