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Information card for entry 7104559
Preview
Coordinates | 7104559.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H22 N4 O10 Re2 |
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Calculated formula | C38 H22 N4 O10 Re2 |
SMILES | C(#[O])[Re]12(C#[O])(Oc3c4c(c5ccccc5c5c4c(O[Re](C#[O])(C#[O])(C#[O])([n]4cn(cc4)Cc4ccc(Cn6c[n]1cc6)cc4)O5)c1c3cccc1)O2)C#[O] |
Title of publication | Neutral metallacyclic rotors. |
Authors of publication | Sathiyendiran, Malaichamy; Wu, Jing-Yun; Velayudham, Murugesan; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2009 |
Journal volume | 34 |
Journal issue | 25 |
Pages of publication | 3795 - 3797 |
a | 23.8693 ± 0.0006 Å |
b | 25.9927 ± 0.0007 Å |
c | 10.8655 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6741.3 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 64 |
Hermann-Mauguin space group symbol | C m c a |
Hall space group symbol | -C 2ac 2 |
Residual factor for all reflections | 0.026 |
Residual factor for significantly intense reflections | 0.0222 |
Weighted residual factors for significantly intense reflections | 0.0451 |
Weighted residual factors for all reflections included in the refinement | 0.0464 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
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/7104559.html
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