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Information card for entry 7711788
Preview
Coordinates | 7711788.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H66 Fe I N7 P2 Ru S2 |
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Calculated formula | C52 H66 Fe I N7 P2 Ru S2 |
Title of publication | Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands. |
Authors of publication | He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2022 |
a | 15.1864 ± 0.0003 Å |
b | 15.4588 ± 0.0003 Å |
c | 23.6654 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5555.8 ± 0.2 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 8 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0598 |
Residual factor for significantly intense reflections | 0.0458 |
Weighted residual factors for significantly intense reflections | 0.0929 |
Weighted residual factors for all reflections included in the refinement | 0.0982 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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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