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Information card for entry 7011864
Preview
| Coordinates | 7011864.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C220 H204 Cu22 O2 P8 S8 Se16 |
|---|---|
| Calculated formula | C220 H204 Cu22 O2 P8 S8 Se16 |
| Title of publication | New copper selenium clusters with a sulfur functionalised ligand shell |
| Authors of publication | Fuhr, Olaf; Meredith, Anthony; Fenske, Dieter |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 22 |
| Pages of publication | 4091 |
| a | 17.164 ± 0.003 Å |
| b | 19.871 ± 0.004 Å |
| c | 20.644 ± 0.004 Å |
| α | 70.6 ± 0.03° |
| β | 74.31 ± 0.03° |
| γ | 66.62 ± 0.03° |
| Cell volume | 6017 ± 3 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0925 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1745 |
| Weighted residual factors for all reflections included in the refinement | 0.2018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7011864.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011864.cif |
| 179822 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/18. |
7011864.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011864.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011864.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011864.cif |
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Users of the data should acknowledge the original authors of the
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