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Information card for entry 4064560
Preview
Coordinates | 4064560.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H80 Au2 N4 O4 P2 |
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Calculated formula | C78 H80 Au2 N4 O4 P2 |
SMILES | [Au]([P](c1ccc(cc1)c1ccc([P]([Au]c2c(cccc2C2=N[C@H](CO2)C(C)C)C2OC[C@@H](N=2)C(C)C)(c2ccccc2)c2ccccc2)cc1)(c1ccccc1)c1ccccc1)c1c(cccc1C1=N[C@H](CO1)C(C)C)C1=N[C@H](CO1)C(C)C.c1ccccc1 |
Title of publication | NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl |
Authors of publication | Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 10 |
Pages of publication | 2819 |
a | 11.1773 ± 0.0002 Å |
b | 11.1809 ± 0.0005 Å |
c | 14.7447 ± 0.0004 Å |
α | 102.303 ± 0.002° |
β | 102.379 ± 0.002° |
γ | 97.749 ± 0.001° |
Cell volume | 1726.76 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.023 |
Residual factor for significantly intense reflections | 0.0207 |
Weighted residual factors for significantly intense reflections | 0.0453 |
Weighted residual factors for all reflections included in the refinement | 0.0465 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/4064560.html
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Users of the data should acknowledge the original authors of the
structural data.