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Information card for entry 7035963
Preview
Coordinates | 7035963.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H26 Fe2 I3 O2 |
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Calculated formula | C28 H26 Fe2 I3 O2 |
SMILES | I[I-]I.[Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)c1c(cc(OC)c(OC)c1)[c]12[cH]3[Fe]49%10%11%12%131([cH]2[cH]4[cH]39)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Tuning of intramolecular charge transfer properties and charge distributions in ferrocene-appended catechol derivatives by chemical substitution. |
Authors of publication | Tahara, Keishiro; Akehi, Shogo; Akita, Tetsuhiro; Katao, Shohei; Kikuchi, Jun-Ichi; Tokunaga, Ken |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 33 |
Pages of publication | 14635 - 14645 |
a | 10.36558 ± 0.00019 Å |
b | 27.558 ± 0.0005 Å |
c | 10.61742 ± 0.00019 Å |
α | 90° |
β | 112.24 ± 0.0007° |
γ | 90° |
Cell volume | 2807.29 ± 0.09 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.0173 |
Weighted residual factors for all reflections included in the refinement | 0.0389 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
Diffraction radiation wavelength | 0.71075 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/7035963.html
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Users of the data should acknowledge the original authors of the
structural data.