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Information card for entry 7715786
Preview
Coordinates | 7715786.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H28 F2 Fe N12 O2 |
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Calculated formula | C34 H28 F2 Fe N12 O2 |
Title of publication | Rotational order-disorder and spin crossover behaviour in a neutral iron(II) complex based on asymmetrically substituted large planar ionogenic ligand |
Authors of publication | Seredyuk, Maksym; Znovjyak, Kateryna O.; Valverde-Muñoz, Francisco Javier; Muñoz, M. Carmen; Fritsky, Igor O.; Real Cabezos, José Antonio A |
Journal of publication | Dalton Transactions |
Year of publication | 2024 |
a | 13.05 ± 0.02 Å |
b | 10.401 ± 0.018 Å |
c | 25.06 ± 0.04 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3401 ± 10 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.152 |
Residual factor for significantly intense reflections | 0.0624 |
Weighted residual factors for significantly intense reflections | 0.1477 |
Weighted residual factors for all reflections included in the refinement | 0.2283 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
291279 (current) | 2024-04-19 | cif/ Adding structures of 7715785, 7715786 via cif-deposit CGI script. |
7715786.cif |
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