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Information card for entry 4346909
Preview
Coordinates | 4346909.cif |
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Original paper (by DOI) | HTML |
Common name | (4,6-di-tert-butyl-6-[(E)-({2-methyl-1-[(methylamino)carbonyl]-2-oxi- do-4-oxopentyl}imino)methyl]benzenolato-N,O,O',O")-dioxo-molybdenum(VI) acetonitrile solvate (1:1) |
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Chemical name | (4,6-di-tert-butyl-6-[(E)-({2-methyl-1-[(methylamino)carbonyl]-2-oxi- do-4-oxopentyl}imino)methyl]benzenolato-N,O,O',O")-dioxo-molybdenum(VI) acetonitrile solvate (1:1) |
Formula | C28 H43 Mo N3 O6 |
Calculated formula | C28 H43 Mo N3 O6 |
Title of publication | Templated C-C and C-N Bond Formation Facilitated by a Molybdenum(VI) Metal Center. |
Authors of publication | Zwettler, Niklas; Dupé, Antoine; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 24 |
Pages of publication | 11969 - 11976 |
a | 22.3972 ± 0.0013 Å |
b | 7.9229 ± 0.0004 Å |
c | 34.2903 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6084.8 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0661 |
Residual factor for significantly intense reflections | 0.0465 |
Weighted residual factors for significantly intense reflections | 0.1158 |
Weighted residual factors for all reflections included in the refinement | 0.1341 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4346909.html
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structural data.