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Information card for entry 4066006
Preview
| Coordinates | 4066006.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C69 H93.5 Cl2 Cu6 N4 O1.75 P4 Si4 |
|---|---|
| Calculated formula | C69 H93.5 Cl2 Cu6 N4 O1.75 P4 Si4 |
| Title of publication | Rare, Hexatomic, Boat-Shaped, Cross-Linked Bis(iminodiphenylphosphorano)methanediide Pincer Carbon Bridged Photoluminescent Copper Clusters Capped with Methyl or Halide Bridges |
| Authors of publication | Ma, Guibin; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 19 |
| Pages of publication | 4251 |
| a | 14.4174 ± 0.0005 Å |
| b | 21.766 ± 0.0007 Å |
| c | 25.8932 ± 0.0008 Å |
| α | 100.512 ± 0.0004° |
| β | 98.6051 ± 0.0004° |
| γ | 97.5673 ± 0.0004° |
| Cell volume | 7792.9 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0633 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0861 |
| Weighted residual factors for all reflections included in the refinement | 0.0997 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4066006.cif |
| 178504 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/60. |
4066006.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066006.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066006.cif |
| 33749 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066005, 4066006, 4066007, 4066008, 4066009, 4066010 via cif-deposit CGI script. |
4066006.cif |
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Users of the data should acknowledge the original authors of the
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