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Information card for entry 4080604
Preview
Coordinates | 4080604.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [K(2,2,2-crypt)][As3C2Ph2]*0.5THF |
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Formula | C34 H50 As3 K N2 O6.5 |
Calculated formula | C34 H50 As3 K N2 O6.5 |
SMILES | [As-]1C(=C([As]=[As]1)c1ccccc1)c1ccccc1.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.C1OCCC1 |
Title of publication | Synthesis and Characterization of Free and Coordinated 1,2,3-Tripnictolide Anions |
Authors of publication | Turbervill, Robert S. P.; Jupp, Andrew R.; McCullough, Phillip S. B.; Ergöçmen, Doruk; Goicoechea, Jose M. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 7 |
Pages of publication | 2234 |
a | 20.5579 ± 0.0001 Å |
b | 21.2058 ± 0.0001 Å |
c | 19.8422 ± 0.0002 Å |
α | 90° |
β | 115.888 ± 0.001° |
γ | 90° |
Cell volume | 7782.09 ± 0.12 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0623 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.0776 |
Weighted residual factors for all reflections included in the refinement | 0.0872 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4080604.html
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