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Information card for entry 4102996
Preview
Coordinates | 4102996.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 6a |
---|---|
Formula | C78 H84 Au3 Cu2 N O6 P2 |
Calculated formula | C78 H84 Au3 Cu2 N O6 P2 |
SMILES | [Au]1[C]2[Cu]345([C]#2C2(O)CCCC2)[C]([Au][C]2[Cu]67([C]1#[C]6C1(O)CCCC1)([C]#2C1(O)CCCC1)[C]([Au][C]4#[C]5C1(O)CCCC1)#[C]7C1(O)CCCC1)#[C]3C1(O)CCCC1.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(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 | 17.1668 ± 0.0012 Å |
b | 16.0171 ± 0.0011 Å |
c | 26.2354 ± 0.0018 Å |
α | 90° |
β | 103.724 ± 0.001° |
γ | 90° |
Cell volume | 7007.8 ± 0.8 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 7 |
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 | 0.089 |
Residual factor for significantly intense reflections | 0.0444 |
Weighted residual factors for significantly intense reflections | 0.0829 |
Weighted residual factors for all reflections included in the refinement | 0.0977 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4102996.html
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