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Information card for entry 7053487
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Coordinates | 7053487.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 04357 |
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Formula | C49 H113 Ba2 K O Si10 |
Calculated formula | C49 H113 Ba2 K O Si10 |
Title of publication | Allyl complexes of the heavy alkaline-earth metals: molecular structure and catalytic behavior |
Authors of publication | Quisenberry, Keith T.; White, Rosemary E.; Hanusa, Timothy P.; Brennessel, William W. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2010 |
Journal volume | 34 |
Journal issue | 8 |
Pages of publication | 1579 |
a | 11.4705 ± 0.0014 Å |
b | 21.891 ± 0.003 Å |
c | 30.387 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7630.2 ± 1.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.045 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.0819 |
Weighted residual factors for all reflections included in the refinement | 0.0882 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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