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Information card for entry 4107234
Preview
Coordinates | 4107234.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C98 H92 B2 Cl2 F48 Fe2 P8 |
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Calculated formula | C98 H92 B2 Cl2 F48 Fe2 P8 |
Title of publication | Topological and Electronic Influences on Magnetic Exchange Coupling in Fe(III) Ethynylbenzene Dendritic Building Blocks |
Authors of publication | Wesley A. Hoffert; Anthony K. Rappé; Matthew P. Shores |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 20823 - 20836 |
a | 13.4127 ± 0.0007 Å |
b | 14.1127 ± 0.0007 Å |
c | 17.5241 ± 0.001 Å |
α | 66.813 ± 0.001° |
β | 67.956 ± 0.001° |
γ | 81.356 ± 0.002° |
Cell volume | 2826.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0571 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for significantly intense reflections | 0.1045 |
Weighted residual factors for all reflections included in the refinement | 0.1219 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/4107234.html
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Users of the data should acknowledge the original authors of the
structural data.