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Information card for entry 7248903
Preview
Coordinates | 7248903.cif |
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Original paper (by DOI) | HTML |
Formula | C135 H168 Cl10 Fe2 N4 O14 |
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Calculated formula | C135 H168 Cl10 Fe2 N4 O14 |
Title of publication | Elucidating the role of the o-methoxy group at the lower rim appended salicylideneamine substituents of calix[4]arene ligand on the molecular and electronic structure of dinuclear Fe(III) based “diamond core” complexes |
Authors of publication | Strelnikova, Iuliia V.; Shutilov, Ilya Denisovich; Ovsyannikov, Alexander; Islamov, Daut; Pyataev, Andrew Vasilevich; Gerasimova, Tatiana; Ayrat, Khamatgalimov; Khrizanforov, Mikhail; Gubaidullin, Aidar Timergalievich; Burilov, Vladimir; Solovieva, Svetlana; Antipin, Igor S. |
Journal of publication | CrystEngComm |
Year of publication | 2024 |
a | 22.9 ± 0.005 Å |
b | 12.187 ± 0.002 Å |
c | 52.643 ± 0.011 Å |
α | 90° |
β | 98.41 ± 0.03° |
γ | 90° |
Cell volume | 14534 ± 5 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.2338 |
Residual factor for significantly intense reflections | 0.1214 |
Weighted residual factors for significantly intense reflections | 0.3118 |
Weighted residual factors for all reflections included in the refinement | 0.3953 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.7454 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7248903.html
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