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Information card for entry 4102993
Preview
| Coordinates | 4102993.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2 |
|---|---|
| Formula | C50 H48 Au N O2 P2 |
| Calculated formula | C50 H48 Au N O2 P2 |
| SMILES | C([Au]C#CC1(CCCC1)O)#CC1(CCCC1)O.N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters |
| Authors of publication | Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 12307 - 12318 |
| a | 17.8938 ± 0.0009 Å |
| b | 15.1515 ± 0.0008 Å |
| c | 15.3494 ± 0.0008 Å |
| α | 90° |
| β | 103.356 ± 0.001° |
| γ | 90° |
| Cell volume | 4048.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0372 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0625 |
| Weighted residual factors for all reflections included in the refinement | 0.0655 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178775 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/29. |
4102993.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102993.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102993.cif |
| 25929 | 2011-09-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4102993 via cif-deposit CGI script. |
4102993.cif |
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