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Information card for entry 4323961
Preview
Coordinates | 4323961.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H84 Li6 N6 S6 |
---|---|
Calculated formula | C60 H84 Li6 N6 S6 |
SMILES | [Li]123[S]4(c5c(cccc5)[C@H]([N]1(C)C)C)[Li]16[S]5(c7c(cccc7)[C@H]([N]1(C)C)C)[Li]14[S]4(c7c(cccc7)[C@H]([N]1(C)C)C)[Li]15[S]5(c7c(cccc7)[C@H]([N]1(C)C)C)[Li]14[S]3(c3c(cccc3)[C@H]([N]1(C)C)C)[Li]15[S]26c2c(cccc2)[C@H]([N]1(C)C)C |
Title of publication | Structural Aspects of Lithium Arenethiolate Complexes with Intramolecular Coordinating Amine Donors |
Authors of publication | Maurits D. Janssen; Evelien Rijnberg; Corine A. de Wolf; Marinus P. Hogerheide; Dennis Kruis; Huub Kooijman; Anthony L. Spek; David M. Grove; Gerard van Koten |
Journal of publication | Inorganic Chemistry |
Year of publication | 1996 |
Journal volume | 35 |
Pages of publication | 6735 - 6741 |
a | 29.187 ± 0.006 Å |
b | 20.008 ± 0.004 Å |
c | 13.274 ± 0.003 Å |
α | 90° |
β | 90.82 ± 0.02° |
γ | 90° |
Cell volume | 7751 ± 3 Å3 |
Cell temperature | 423 ± 2 K |
Ambient diffraction temperature | 423 ± 2 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.1923 |
Residual factor for significantly intense reflections | 0.093 |
Weighted residual factors for all reflections | 0.2356 |
Weighted residual factors for significantly intense reflections | 0.198 |
Goodness-of-fit parameter for all reflections | 0.772 |
Goodness-of-fit parameter for significantly intense reflections | 1.144 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKa |
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/4323961.html
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