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Information card for entry 2014417
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Coordinates | 2014417.cif |
---|---|
Structure factors | 2014417.hkl |
Original IUCr paper | HTML |
Common name | Dichloro(1,2-dimethoxyethane)bis(tosylimido)molybdenum(VI) |
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Chemical name | Dichloro(dimethoxyethano)bis(para-toluenesulfonimino-N)molybdenum(VI) |
Formula | C18 H24 Cl2 Mo N2 O6 S2 |
Calculated formula | C18 H24 Cl2 Mo N2 O6 S2 |
SMILES | c1(ccc(cc1)C)S(=O)(=O)N=[Mo]1(Cl)(Cl)([O](C)CC[O]1C)=NS(=O)(=O)c1ccc(cc1)C |
Title of publication | Dichloro(1,2-dimethoxyethane)bis(tosylimido)molybdenum(VI), a versatile nitrene transfer reagent |
Authors of publication | Rufanov, Konstantin A.; Ziemer, Burkhard |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 2 |
Pages of publication | m54 - m55 |
a | 11.895 ± 0.002 Å |
b | 13.124 ± 0.002 Å |
c | 15.564 ± 0.003 Å |
α | 90° |
β | 104.66 ± 0.02° |
γ | 90° |
Cell volume | 2350.6 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0402 |
Residual factor for significantly intense reflections | 0.0307 |
Weighted residual factors for significantly intense reflections | 0.0677 |
Weighted residual factors for all reflections included in the refinement | 0.0708 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2014417.html
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