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Information card for entry 4089096
Preview
Coordinates | 4089096.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C69 H53 Au Cu F6 O P5 |
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Calculated formula | C69 H53 Au Cu F6 O P5 |
SMILES | [C]1(#CC(c2ccccc2)(c2ccccc2)O)[Cu]234[P](c5c(cccc5)[P](c5ccccc5)(c5ccccc5)[Au]14)(c1ccccc1[P]2(c1ccccc1)c1ccccc1)c1ccccc1[P]3(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines |
Authors of publication | Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O. |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 21 |
Pages of publication | 3763 |
a | 21.974 ± 0.009 Å |
b | 20.503 ± 0.01 Å |
c | 26.6 ± 0.011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 11984 ± 9 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0675 |
Residual factor for significantly intense reflections | 0.0437 |
Weighted residual factors for significantly intense reflections | 0.0812 |
Weighted residual factors for all reflections included in the refinement | 0.0892 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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