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Information card for entry 7108098
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Coordinates | 7108098.cif |
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Original paper (by DOI) | HTML |
Common name | Mo(O)(DBCat)2(ONC5H4CH3) . 1.5 C6H12 |
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Chemical name | Oxobis(3,5-di-tert-butylcatecholato)(4-picoline-N-oxide)molybdenum(VI) sesquicyclohexane solvate |
Formula | C43 H65 Mo N O6 |
Calculated formula | C43 H65 Mo N O6 |
Title of publication | Nonclassical oxygen atom transfer reactions of oxomolybdenum(VI) bis(catecholate) |
Authors of publication | Travis Marshall-Roth; Sean C. Liebscher; Karl Rickert; Nicholas J. Seewald; Allen G. Oliver; Seth N. Brown |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 7826 |
a | 14.4007 ± 0.0009 Å |
b | 35.85 ± 0.002 Å |
c | 16.3779 ± 0.0011 Å |
α | 90° |
β | 90.045 ± 0.002° |
γ | 90° |
Cell volume | 8455.3 ± 0.9 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.099 |
Residual factor for significantly intense reflections | 0.0547 |
Weighted residual factors for significantly intense reflections | 0.1231 |
Weighted residual factors for all reflections included in the refinement | 0.142 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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