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Information card for entry 4101716
Preview
Coordinates | 4101716.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C81 H144 La3 N15 Si6 |
---|---|
Calculated formula | C81 H144 La3 N15 Si6 |
SMILES | [c]12([c]3([c]4([c]5([c]1(C)[La]167892345(N=N#[N][La]2345%10%11%12%13([c]%14([c]2([c]3([c]4([c]5%14C)C)C)C)C)(N=N#[N][La]2345%14%15%16%17([c]%18([c]2([c]3([c]4([c]5%18C)C)C)C)C)(N=N#[N]9)([c]2([c]%14([c]%15([c]%16([c]%172C)C)C)C)C)C#[N]N([Si](C)(C)C)[Si](C)(C)C)([c]2([c]%10([c]%11([c]%12([c]%132C)C)C)C)C)C#[N]N([Si](C)(C)C)[Si](C)(C)C)([c]2([c]1([c]6([c]7([c]82C)C)C)C)C)C#[N]N([Si](C)(C)C)[Si](C)(C)C)C)C)C)C |
Title of publication | Organolanthanide-based synthesis of 1,2,3-triazoles from nitriles and diazo compounds. |
Authors of publication | Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Journal issue | 1 |
Pages of publication | 16 - 17 |
a | 20.4393 ± 0.001 Å |
b | 20.4393 ± 0.001 Å |
c | 14.4731 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 5236.3 ± 0.6 Å3 |
Cell temperature | 163 ± 2 K |
Ambient diffraction temperature | 163 ± 2 K |
Number of distinct elements | 5 |
Space group number | 147 |
Hermann-Mauguin space group symbol | P -3 |
Hall space group symbol | -P 3 |
Residual factor for all reflections | 0.0291 |
Residual factor for significantly intense reflections | 0.0255 |
Weighted residual factors for significantly intense reflections | 0.0742 |
Weighted residual factors for all reflections included in the refinement | 0.0772 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
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/4101716.html
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