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Information card for entry 4122274
Preview
Coordinates | 4122274.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C242 H352 Cd31 N22 O44 Se20 |
---|---|
Calculated formula | Cd31 Se20 |
SMILES | [Cd]123[Se]45[Cd]6[Se]78[Cd][Se]9[Cd][Se]%10%11[Cd][Se]%12%13[Cd]%14[Se]%15%16[Cd][Se]([Cd]%12)[Cd][Se]%12%17[Cd]%16[Se]%161[Cd]1[Se]%18([Cd][Se]%19%20[Cd]4[Se]4([Cd][Se]([Cd]%19)[Cd][Se]([Cd]4[Se]2([Cd]8%10)[Cd]%13%17)([Cd]%16%20)[Cd]%12)[Cd]7)[Cd][Se]2[Cd][Se]1([Cd]%15)[Cd]1[Se]3%14[Cd]%11[Se]6([Cd]9)[Cd][Se]1([Cd]5%18)[Cd]2 |
Title of publication | Atomic structures and gram scale synthesis of three tetrahedral quantum dots. |
Authors of publication | Beecher, Alexander N.; Yang, Xiaohao; Palmer, Joshua H.; LaGrassa, Alexandra L.; Juhas, Pavol; Billinge, Simon J. L.; Owen, Jonathan S. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 30 |
Pages of publication | 10645 - 10653 |
a | 36.837 ± 0.01 Å |
b | 44.172 ± 0.012 Å |
c | 35.269 ± 0.01 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 57388 ± 3 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 6 |
Space group number | 63 |
Hermann-Mauguin space group symbol | C m c m |
Hall space group symbol | -C 2c 2 |
Residual factor for all reflections | 0.2458 |
Residual factor for significantly intense reflections | 0.1969 |
Weighted residual factors for significantly intense reflections | 0.4961 |
Weighted residual factors for all reflections included in the refinement | 0.5222 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.639 |
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/4122274.html
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Users of the data should acknowledge the original authors of the
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