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Information card for entry 2230389
Preview
| Coordinates | 2230389.cif |
|---|---|
| Structure factors | 2230389.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(4-methyl-3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)silver(I) nitrate |
|---|---|
| Formula | C32 H28 Ag N5 O3 |
| Calculated formula | C32 H28 Ag N5 O3 |
| SMILES | c1(c(c([nH][n]1[Ag][n]1[nH]c(c(c1c1ccccc1)C)c1ccccc1)c1ccccc1)C)c1ccccc1.N(=O)(=O)[O-] |
| Title of publication | Bis(4-methyl-3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)silver(I) nitrate |
| Authors of publication | Hossaini Sadr, Moayad; Soltani, Behzad; Engle, James T.; Ziegler, Christopher J.; Kabirzadeh, M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m762 - m763 |
| a | 10.5529 ± 0.0012 Å |
| b | 10.8791 ± 0.0013 Å |
| c | 12.8396 ± 0.0015 Å |
| α | 80.454 ± 0.002° |
| β | 68.806 ± 0.002° |
| γ | 82.398 ± 0.002° |
| Cell volume | 1351.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0325 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0756 |
| Weighted residual factors for all reflections included in the refinement | 0.0839 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2230389.cif 2230389.hkl |
| 181225 | 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 2/23/03. |
2230389.cif 2230389.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. |
2230389.cif 2230389.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230389.cif 2230389.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. | 2230389.cif 2230389.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230389.cif 2230389.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230389.cif 2230389.hkl |
| 22369 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230389 via cif-deposit CGI script. |
2230389.cif |
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Users of the data should acknowledge the original authors of the
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