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Information card for entry 2312230
Preview
Coordinates | 2312230.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10.86 H8 Fe0.29 N1.71 S0.57 |
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Calculated formula | C10.8571 H8 Fe0.285714 N1.71429 S0.571429 |
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 | 12.9231 ± 0.0003 Å |
b | 14.98 ± 0.0004 Å |
c | 17.6199 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3411 ± 0.14 Å3 |
Cell temperature | 205 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.1786 |
Residual factor for significantly intense reflections | 0.109 |
Weighted residual factors for significantly intense reflections | 0.1478 |
Weighted residual factors for all reflections included in the refinement | 0.1686 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.206 |
Diffraction radiation wavelength | 0.65524 Å |
Diffraction radiation type | Synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2312230.html
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