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Information card for entry 7153062
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| Coordinates | 7153062.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H88 Cu4 Fe2 N4 P4 S4 |
|---|---|
| Calculated formula | C56 H88 Cu4 Fe2 N4 P4 S4 |
| Title of publication | A thiocyanato-bridged copper(i) cubane complex and its application in palladium-catalyzed Sonogashira coupling of aryl halides. |
| Authors of publication | Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 36 |
| Pages of publication | 12849 - 12852 |
| a | 32.8531 ± 0.0004 Å |
| b | 32.0553 ± 0.0006 Å |
| c | 21.088 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 22208.1 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A b a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.0772 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1012 |
| Weighted residual factors for all reflections included in the refinement | 0.1225 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180316 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/30. |
7153062.cif |
| 88053 | 2013-08-28 | cif/7/15/ (saulius@koala.ibt.lt) Splitting entry 7153062.cif in two (it originally contained two structures), and fixing the Hall symbol in the new 7153063.cif file, in the same way as it was fixed in the first structure of 7153062.cif. The two files contain measurements at different temperatures. |
7153062.cif |
| 88052 | 2013-08-28 | cif/7/15/ (saulius@koala.ibt.lt) Correcting Hall space group symbol in 30/7153062.cif. |
7153062.cif |
| 88051 | 2013-08-28 | cif/7/15/ (saulius@koala.ibt.lt) Adding manually a structure from 'Dalton Transactions' with an unusual cell setting. |
7153062.cif |
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