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Information card for entry 7709234
Preview
Coordinates | 7709234.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H42 B3 F12 Fe N6 O6 |
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Calculated formula | C36 H42 B3 F12 Fe N6 O6 |
Title of publication | Mononuclear Iron(III) Complex with Unusual Temperature Change of Color and Magneto-Structural Properties: Synthesis, Structure, Magnetization, Multi-frequency ESR and DFT Study |
Authors of publication | Garg, Nitish Kumar; Goriya, Yogesh; Seetharaman, Manojveer; Muratović, Senada; Pajić, Damir; Cetina, Mario; Petreska, Irina; Krupskaya, Yulia; Kataev, Vladislav; Johnson, Magnus T.; Wendt, Ola F.; Žilić, Dijana |
Journal of publication | Dalton Transactions |
Year of publication | 2022 |
a | 14.3913 ± 0.0007 Å |
b | 14.3913 ± 0.0007 Å |
c | 38.125 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 6838.2 ± 0.9 Å3 |
Cell temperature | 125 K |
Ambient diffraction temperature | 125 K |
Number of distinct elements | 7 |
Space group number | 167 |
Hermann-Mauguin space group symbol | R -3 c :H |
Hall space group symbol | -R 3 2"c |
Residual factor for all reflections | 0.136 |
Residual factor for significantly intense reflections | 0.0826 |
Weighted residual factors for significantly intense reflections | 0.2167 |
Weighted residual factors for all reflections included in the refinement | 0.2693 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7709234.html
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