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Information card for entry 4121419
Preview
Coordinates | 4121419.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H36 Cl2 Fe N10 O11 |
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Calculated formula | C39 H36 Cl2 Fe N10 O11 |
Title of publication | Three-Way Crystal-to-Crystal Reversible Transformation and Controlled Spin Switching by a Nonporous Molecular Material. |
Authors of publication | Costa, José Sánchez; Rodríguez-Jiménez, Santiago; Craig, Gavin A.; Barth, Benjamin; Beavers, Christine M.; Teat, Simon J.; Aromí, Guillem |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 10 |
Pages of publication | 3869 - 3874 |
a | 13.099 ± 0.005 Å |
b | 13.355 ± 0.005 Å |
c | 14.078 ± 0.005 Å |
α | 71.968 ± 0.004° |
β | 69.923 ± 0.004° |
γ | 70.857 ± 0.004° |
Cell volume | 2130.7 ± 1.4 Å3 |
Cell temperature | 250 ± 2 K |
Ambient diffraction temperature | 250 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1509 |
Residual factor for significantly intense reflections | 0.1055 |
Weighted residual factors for significantly intense reflections | 0.305 |
Weighted residual factors for all reflections included in the refinement | 0.3396 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.7749 Å |
Diffraction radiation type | synchrotron |
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/4121419.html
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