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Information card for entry 4069038
Preview
Coordinates | 4069038.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H80 N6 Si2 Sm2 |
---|---|
Calculated formula | C50 H80 N6 Si2 Sm2 |
SMILES | [Sm]123456789%10([n]%11n1[n]([Sm]1%12%13%14%15%16%17%18%19([n]%20n1[n]2cc%20[Si](C)(C)C)([c]1([c]%15([c]%14([c]%13([c]%121C)C)C)C)C)[c]1([c]%16([c]%17([c]%18([c]%191C)C)C)C)C)cc%11[Si](C)(C)C)([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)[c]1([c]%10([c]9([c]8([c]71C)C)C)C)C |
Title of publication | Synthetic Diversity in the Formation of Triazoles from Nitriles and Diazo Compounds Using Metallocenes of Electropositive Metals |
Authors of publication | Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 9 |
Pages of publication | 2897 |
a | 10.3605 ± 0.0009 Å |
b | 12.3316 ± 0.0011 Å |
c | 21.5539 ± 0.0019 Å |
α | 88.025 ± 0.001° |
β | 76.914 ± 0.002° |
γ | 75.122 ± 0.001° |
Cell volume | 2591.5 ± 0.4 Å3 |
Cell temperature | 143 ± 2 K |
Ambient diffraction temperature | 143 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0279 |
Residual factor for significantly intense reflections | 0.0216 |
Weighted residual factors for significantly intense reflections | 0.0515 |
Weighted residual factors for all reflections included in the refinement | 0.0546 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/4069038.html
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Users of the data should acknowledge the original authors of the
structural data.