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Information card for entry 7711794
Preview
Coordinates | 7711794.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H31 Cl2 N P2 Ru |
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Calculated formula | C33 H31 Cl2 N P2 Ru |
SMILES | [Ru]12345([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)(C#N)[cH]1[cH]2[cH]5[cH]4[cH]31.ClCCl |
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 | 12.923 ± 0.002 Å |
b | 9.1065 ± 0.0014 Å |
c | 25.677 ± 0.004 Å |
α | 90° |
β | 90.032 ± 0.003° |
γ | 90° |
Cell volume | 3021.8 ± 0.8 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 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 | 0.0364 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0816 |
Weighted residual factors for all reflections included in the refinement | 0.0839 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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