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Information card for entry 1569271
Preview
Coordinates | 1569271.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H28 Fe I2 N5 O7 |
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Calculated formula | C34 H28 Fe I2 N5 O7 |
Title of publication | Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects. |
Authors of publication | Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J. |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 26 |
Pages of publication | 7185 - 7191 |
a | 11.8742 ± 0.0004 Å |
b | 12.3742 ± 0.0003 Å |
c | 12.7752 ± 0.0003 Å |
α | 80.502 ± 0.002° |
β | 69.212 ± 0.003° |
γ | 68.99 ± 0.003° |
Cell volume | 1636.7 ± 0.09 Å3 |
Cell temperature | 10 K |
Ambient diffraction temperature | 10 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 | 0.0451 |
Residual factor for significantly intense reflections | 0.0315 |
Weighted residual factors for significantly intense reflections | 0.0623 |
Weighted residual factors for all reflections included in the refinement | 0.067 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation probe | x-ray |
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/1569271.html
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Users of the data should acknowledge the original authors of the
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