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Information card for entry 4106309
Preview
Coordinates | 4106309.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H68 Ca Cl2 F3 Mn N4 O15 S4 |
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Calculated formula | C45 H68 Ca Cl2 F3 Mn N4 O15 S4 |
Title of publication | The Effects of Redox-Inactive Metal Ions on the Activation of Dioxygen: Isolation and Characterization of a Heterobimetallic Complex Containing a MnIII-(μ-OH)-CaII Core |
Authors of publication | Young Jun Park; Joseph W. Ziller; A. S. Borovik |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 9258 - 9261 |
a | 14.4165 ± 0.0007 Å |
b | 14.7066 ± 0.0007 Å |
c | 15.7017 ± 0.0008 Å |
α | 112.429 ± 0.0006° |
β | 97.6849 ± 0.0006° |
γ | 106.548 ± 0.0006° |
Cell volume | 2837.2 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0635 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for significantly intense reflections | 0.1314 |
Weighted residual factors for all reflections included in the refinement | 0.1404 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/4106309.html
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