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Information card for entry 4122662
Preview
Coordinates | 4122662.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H95 As2 O S6 Sm3 |
---|---|
Calculated formula | C55 H95 As2 O S6 Sm3 |
SMILES | [Sm]1234567([S]8[Sm]9%10%11%12%13%14([S]%15[Sm]%16%17%18%19%20([S]1[As]8%15)([S]%10[As]([S]29)[S]3%16)[c]1([c]%17([cH]%18[c]%19([cH]%201)C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([c]%11([cH]%12[c]%13([cH]%141)C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([c]4([cH]5[c]6([cH]71)C(C)(C)C)C(C)(C)C)C(C)(C)C.O1CCCC1 |
Title of publication | Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster. |
Authors of publication | Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 40 |
Pages of publication | 14023 |
a | 14.0987 ± 0.0005 Å |
b | 28.9735 ± 0.0014 Å |
c | 16.6015 ± 0.0006 Å |
α | 90° |
β | 112.253 ± 0.003° |
γ | 90° |
Cell volume | 6276.4 ± 0.5 Å3 |
Cell temperature | 100.15 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 6 |
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 | 0.0632 |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for significantly intense reflections | 0.0435 |
Weighted residual factors for all reflections included in the refinement | 0.0499 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.808 |
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/4122662.html
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.