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Information card for entry 4106075
Preview
Coordinates | 4106075.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (K(18-crown-6))4[BiGe8-Ge8Bi] 5en |
---|---|
Formula | C58 H136 Bi2 Ge16 K4 N10 O24 |
Calculated formula | C58 H136 Bi2 Ge16 K4 N10 O24 |
SMILES | [K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.NCCN.NCCN.NCCN.[Bi]123[Ge]45[Ge]6[Ge]24[Ge]2([Ge]47[Ge]1([Ge]564)[Ge]327)[Ge]12[Ge]34[Ge]56[Bi]7([Ge]89[Ge]([Ge]278)[Ge]469)[Ge]135.NCCN.NCCN |
Title of publication | "n-Doping" of Deltahedral Zintl Ions |
Authors of publication | Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 6560 - 6562 |
a | 15.347 ± 0.003 Å |
b | 21.923 ± 0.005 Å |
c | 17.287 ± 0.003 Å |
α | 90° |
β | 90.963 ± 0.011° |
γ | 90° |
Cell volume | 5815 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.1446 |
Residual factor for significantly intense reflections | 0.0617 |
Weighted residual factors for significantly intense reflections | 0.1381 |
Weighted residual factors for all reflections included in the refinement | 0.1822 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
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/4106075.html
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Users of the data should acknowledge the original authors of the
structural data.