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Information card for entry 4066008
Preview
| Coordinates | 4066008.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C64 H81 Cu6 I2 N4 O0.5 P4 Si4 |
|---|---|
| Calculated formula | C64 H81 Cu6 I2 N4 O0.5 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 | 14.6629 ± 0.0008 Å |
| b | 23.1444 ± 0.0012 Å |
| c | 21.4145 ± 0.0011 Å |
| α | 90° |
| β | 99.688 ± 0.001° |
| γ | 90° |
| Cell volume | 7163.7 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0591 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.123 |
| Weighted residual factors for all reflections included in the refinement | 0.1331 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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. |
4066008.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. |
4066008.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066008.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066008.cif |
| 33749 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066005, 4066006, 4066007, 4066008, 4066009, 4066010 via cif-deposit CGI script. |
4066008.cif |
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Users of the data should acknowledge the original authors of the
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