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Information card for entry 2206566
Preview
Coordinates | 2206566.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Di-μ-aqua-bis[{N-[(2-dimethylamino-κN)ethyl]-N,N',N'-trimethylethane- 1,2-diamine-κ^2^N,N'}sodium(I)] diiodide |
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Formula | C18 H50 I2 N6 Na2 O2 |
Calculated formula | C18 H50 I2 N6 Na2 O2 |
SMILES | C(C[N]1(CC[N]2(C)C)C)[N](C)(C)[Na]123[OH2][Na]12([OH2]3)[N](C)(C)CC[N]1(CC[N]2(C)C)C.[I-].[I-] |
Title of publication | Di-μ-aqua-bis[{<i>N</i>- [(2-dimethylamino-κ<i>N</i>)ethyl]-<i>N</i>,<i>N</i>',<i>N</i>'-trimethylethane- 1,2-diamine-κ^2^<i>N</i>,<i>N</i>'}sodium(I)] diiodide |
Authors of publication | Jeanneau, Erwann; Mishra, Shashank; Hubert-Pfalzgraf, Liliane G. |
Journal of publication | Acta Crystallographica, Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 8 |
Pages of publication | o1528 - o1530 |
a | 13.7534 ± 0.0006 Å |
b | 17.1348 ± 0.0008 Å |
c | 7.6723 ± 0.0003 Å |
α | 90° |
β | 120.997 ± 0.002° |
γ | 90° |
Cell volume | 1549.87 ± 0.12 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for all reflections | 0.049 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for all reflections | 0.099 |
Weighted residual factors for significantly intense reflections | 0.091 |
Weighted residual factors for all reflections included in the refinement | 0.091 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.872 |
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/2206566.html
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Users of the data should acknowledge the original authors of the
structural data.