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Information card for entry 1571752
Preview
Coordinates | 1571752.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C195 H152 F15.66 Fe2 I2.17 N36 O6 P2.61 |
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Calculated formula | C180 H120 F15.6636 Fe2 I2.1682 N36 O P2.6106 |
Title of publication | Engineered π⋯π interactions favour supramolecular dimers X@[FeL<sub>3</sub>]<sub>2</sub> (X = Cl, Br, I): solid state and solution structure. |
Authors of publication | Risa, Arnau; Barrios, Leoní A; Diego, Rosa; Roubeau, Olivier; Aleshin, Dmitry Y.; Nelyubina, Yulia; Novikov, Valentin; Teat, Simon J.; Ribas-Ariño, Jordi; Aromí, Guillem |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 24 |
Pages of publication | 9047 - 9053 |
a | 26.532 ± 0.003 Å |
b | 26.532 ± 0.003 Å |
c | 26.532 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 18677 ± 4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 198 |
Hermann-Mauguin space group symbol | P 21 3 |
Hall space group symbol | P 2ac 2ab 3 |
Residual factor for all reflections | 0.0546 |
Residual factor for significantly intense reflections | 0.0542 |
Weighted residual factors for significantly intense reflections | 0.1597 |
Weighted residual factors for all reflections included in the refinement | 0.1604 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.72932 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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