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Information card for entry 4346907
Preview
Coordinates | 4346907.cif |
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Original paper (by DOI) | HTML |
Common name | [2,2'-{5-[(tert-butylamino)carbonyl]-3-[2-(tert-butylamino)-2-oxoethyl]imi- dazolidine-2,4-diyl}diphenolato-O,O',O"]-dioxo-molybdenum(VI) heptane methanol solvate (2:1:4) |
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Chemical name | [2,2'-{5-[(tert-butylamino)carbonyl]-3-[2-(tert-butylamino)-2-oxoethyl]imi- dazolidine-2,4-diyl}diphenolato-O,O',O"]-dioxo-molybdenum(VI) heptane methanol solvate (2:1:4) |
Formula | C63 H100 Mo2 N8 O16 |
Calculated formula | C63 H100 Mo2 N8 O16 |
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 | 20.5952 ± 0.001 Å |
b | 13.0143 ± 0.0006 Å |
c | 26.4203 ± 0.0012 Å |
α | 90° |
β | 94.0172 ± 0.0008° |
γ | 90° |
Cell volume | 7064.1 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0285 |
Residual factor for significantly intense reflections | 0.0244 |
Weighted residual factors for significantly intense reflections | 0.0636 |
Weighted residual factors for all reflections included in the refinement | 0.0658 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
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/4346907.html
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