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Information card for entry 4324449
Preview
Coordinates | 4324449.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H136 Er2 N6 Na O8 Si8 |
---|---|
Calculated formula | C56 H136 Er2 N6 Na O8 Si8 |
SMILES | C[Si](C)(C)N([Er]1(N([Si](C)(C)C)[Si](C)(C)C)([O]2CCCC2)[N]2=[N]1[Er]2(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[O]1CCCC1)[Si](C)(C)C.[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
Title of publication | (N2)3- Radical Chemistry via Trivalent Lanthanide Salt/Alkali Metal Reduction of Dinitrogen: New Syntheses and Examples of (N2)2- and (N2)3- Complexes and Density Functional Theory Comparisons of Closed Shell Sc3+, Y3+, and Lu3+ versus 4f9 Dy3+ |
Authors of publication | Ming Fang; Jefferson E. Bates; Sara E. Lorenz; David S. Lee; Daniel B. Rego; Joseph W. Ziller; Filipp Furche; William J. Evans |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 1459 - 1469 |
a | 12.834 ± 0.002 Å |
b | 19.587 ± 0.003 Å |
c | 16.106 ± 0.003 Å |
α | 90° |
β | 92.12 ± 0.002° |
γ | 90° |
Cell volume | 4045.9 ± 1.2 Å3 |
Cell temperature | 163 ± 2 K |
Ambient diffraction temperature | 163 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0289 |
Residual factor for significantly intense reflections | 0.0225 |
Weighted residual factors for significantly intense reflections | 0.0571 |
Weighted residual factors for all reflections included in the refinement | 0.0614 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
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/4324449.html
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