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Information card for entry 2237261
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| Coordinates | 2237261.cif |
|---|---|
| Structure factors | 2237261.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis[μ-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>'](μ-1- ethylthiourea-κ^2^<i>S</i>:<i>S</i>)bis[iodidocopper(I)] acetonitrile sesquisolvate |
|---|---|
| Formula | C56 H56.5 Cu2 I2 N3.5 P4 S |
| Calculated formula | C56 H56.5 Cu2 I2 N3.5 P4 S |
| Title of publication | Bis[μ-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>'](μ-1-ethylthiourea-κ^2^<i>S</i>:<i>S</i>)bis[iodidocopper(I)] acetonitrile sesquisolvate |
| Authors of publication | Nimthong, Ruthairat; Wattanakanjana, Yupa; Pakawatchai, Chaveng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | m68 - m69 |
| a | 13.7751 ± 0.0006 Å |
| b | 24.5147 ± 0.0011 Å |
| c | 18.0172 ± 0.0008 Å |
| α | 90° |
| β | 111.72 ± 0.001° |
| γ | 90° |
| Cell volume | 5652.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0612 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.1006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| 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. |
2237261.cif 2237261.hkl |
| 181294 | 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 2/23/72. |
2237261.cif 2237261.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2237261.cif 2237261.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237261.cif 2237261.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. | 2237261.cif 2237261.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237261.cif 2237261.hkl |
| 73493 | 2013-02-20 | cif/ Adding structures of 2237261 via cif-deposit CGI script. |
2237261.cif |
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Users of the data should acknowledge the original authors of the
structural data.