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Information card for entry 2312204
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Coordinates | 2312204.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H28 Fe N6 S2 |
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Calculated formula | C38 H28 Fe N6 S2 |
Title of publication | Structural insight into the cooperativity of spin crossover compounds. |
Authors of publication | Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K. |
Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
Year of publication | 2023 |
Journal volume | 79 |
Journal issue | Pt 5 |
Pages of publication | 354 - 367 |
a | 17.1908 ± 0.0002 Å |
b | 12.2568 ± 0.0001 Å |
c | 16.9166 ± 0.0002 Å |
α | 90° |
β | 115.826 ± 0.0011° |
γ | 90° |
Cell volume | 3208.39 ± 0.07 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0341 |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for significantly intense reflections | 0.0937 |
Weighted residual factors for all reflections included in the refinement | 0.0951 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.63582 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/2312204.html
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