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Information card for entry 1569262
Preview
Coordinates | 1569262.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 | 12.0079 ± 0.0009 Å |
b | 12.4717 ± 0.001 Å |
c | 12.8977 ± 0.0005 Å |
α | 80.54 ± 0.005° |
β | 69.855 ± 0.005° |
γ | 69.795 ± 0.007° |
Cell volume | 1699.5 ± 0.2 Å3 |
Cell temperature | 300 ± 0.2 K |
Ambient diffraction temperature | 300 ± 0.2 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 | 0.0579 |
Residual factor for significantly intense reflections | 0.0544 |
Weighted residual factors for significantly intense reflections | 0.1592 |
Weighted residual factors for all reflections included in the refinement | 0.1612 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1569262.html
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Users of the data should acknowledge the original authors of the
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