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Information card for entry 2236795
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| Coordinates | 2236795.cif |
|---|---|
| Structure factors | 2236795.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | [Bis[μ-bis(diphenylphosphino)methane-1:2κ^2^<i>P</i>:<i>P</i>']- bis(nitrito-κ^2^<i>O</i>,<i>O</i>')]disilver(I) acetonitrile disolvate |
|---|---|
| Formula | C54 H50 Ag2 N4 O4 P4 |
| Calculated formula | C54 H50 Ag2 N4 O4 P4 |
| SMILES | C1[P](c2ccccc2)(c2ccccc2)[Ag]2(ON=[O]2)[P](c2ccccc2)(c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Ag]2(ON=[O]2)[P]1(c1ccccc1)c1ccccc1.N#CC.N#CC |
| Title of publication | [Bis[μ-bis(diphenylphosphino)methane-1:2κ^2^<i>P</i>:<i>P</i>']-bis(nitrito-κ^2^<i>O</i>,<i>O</i>')]disilver(I) acetonitrile disolvate |
| Authors of publication | Yang, Xue; Huang, Xu; Qiu, Qi-Ming; Jin, Qiong-Hua; Zhang, Cun-Lin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | m1367 |
| a | 12.139 ± 0.0011 Å |
| b | 11.1247 ± 0.0009 Å |
| c | 20.035 ± 0.0018 Å |
| α | 90° |
| β | 95.543 ± 0.001° |
| γ | 90° |
| Cell volume | 2692.9 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0455 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.0897 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| 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. |
2236795.cif 2236795.hkl |
| 181289 | 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 2/23/67. |
2236795.cif 2236795.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. |
2236795.cif 2236795.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236795.cif 2236795.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. | 2236795.cif 2236795.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236795.cif 2236795.hkl |
| 70404 | 2012-12-21 | cif/ Adding structures of 2236795 via cif-deposit CGI script. |
2236795.cif |
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Users of the data should acknowledge the original authors of the
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