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Information card for entry 2229894
Preview
| Coordinates | 2229894.cif |
|---|---|
| Structure factors | 2229894.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1<i>H</i>-Benzimidazole-5-carboxylic acid-κ<i>N</i>^3^)(1<i>H</i>- benzimidazole-6-carboxylic acid-κ<i>N</i>^3^)silver(I) perchlorate |
|---|---|
| Formula | C16 H12 Ag Cl N4 O8 |
| Calculated formula | C16 H12 Ag Cl N4 O8 |
| SMILES | [Ag]([n]1c[nH]c2c1cc(cc2)C(=O)O)[n]1c[nH]c2c1ccc(c2)C(=O)O.Cl(=O)(=O)(=O)[O-] |
| Title of publication | (1<i>H</i>-Benzimidazole-5-carboxylic acid-κ<i>N</i>^3^)(1<i>H</i>-benzimidazole-6-carboxylic acid-κ<i>N</i>^3^)silver(I) perchlorate |
| Authors of publication | Ma, Li; Huang, Yu-Hua; Xu, Jian-Feng; Deng, Hong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | m494 - m495 |
| a | 4.933 ± 0.002 Å |
| b | 13.33 ± 0.005 Å |
| c | 14.498 ± 0.006 Å |
| α | 78.566 ± 0.005° |
| β | 89.111 ± 0.005° |
| γ | 82.554 ± 0.005° |
| Cell volume | 926.5 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.053 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181219 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/98. |
2229894.cif 2229894.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229894.cif 2229894.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229894.cif 2229894.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. | 2229894.cif 2229894.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229894.cif 2229894.hkl |
| 19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2229894.cif 2229894.hkl |
| 19373 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2229894 via cif-deposit CGI script. |
2229894.cif |
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Users of the data should acknowledge the original authors of the
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