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Information card for entry 2239973
Preview
| Coordinates | 2239973.cif |
|---|---|
| Structure factors | 2239973.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cyclo</i>-Bis(μ~4~-2,2-diallylmalonato- κ^6^<i>O</i>^1^,<i>O</i>^3^:<i>O</i>^3^:<i>O</i>^1'^,<i>O</i>^3'^:<i>O</i>^1'^)tetrakis(triphenylphosphane-κ<i>P</i>)tetrasilver(I) |
|---|---|
| Formula | C90 H80 Ag4 O8 P4 |
| Calculated formula | C90 H80 Ag4 O8 P4 |
| SMILES | C12C(CC=C)(C3=[O][Ag]4([O]2[Ag]2([O]=C5C(C6=[O][Ag]([O]3[Ag]([O]=1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[O]26)([O]45)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(CC=C)CC=C)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)CC=C |
| Title of publication | Crystal structure of <i>cyclo</i>-bis(μ~4~-2,2-diallylmalonato-κ^6^<i>O</i>^1^,<i>O</i>^3^:<i>O</i>^3^:<i>O</i>^1'^,<i>O</i>^3'^:<i>O</i>^1'^)tetrakis(triphenylphosphane-κ<i>P</i>)tetrasilver(I) |
| Authors of publication | Frenzel, Peter; Jakob, Alexander; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | 174 - 177 |
| a | 16.0462 ± 0.0001 Å |
| b | 16.0462 ± 0.0001 Å |
| c | 15.3337 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3948.13 ± 0.06 Å3 |
| Cell temperature | 105 K |
| Ambient diffraction temperature | 105 K |
| Number of distinct elements | 5 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.0237 |
| Residual factor for significantly intense reflections | 0.0223 |
| Weighted residual factors for significantly intense reflections | 0.0471 |
| Weighted residual factors for all reflections included in the refinement | 0.0478 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181899 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/99. |
2239973.cif 2239973.hkl |
| 181318 | 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 2/23/99. |
2239973.cif 2239973.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. |
2239973.cif 2239973.hkl |
| 123681 | 2014-09-11 | cif/ hkl/ Adding structures of 2239973 via cif-deposit CGI script. |
2239973.cif 2239973.hkl |
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Users of the data should acknowledge the original authors of the
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