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Information card for entry 7018687
Preview
Coordinates | 7018687.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C101 H80 Cl6 Fe2 N12 |
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Calculated formula | C99 H78 Fe2 N12 |
SMILES | c1[n]2[Fe]3456n7cc(cc7C(=c2cc1)c1ccccc1)C(c1c[n]2c(c1)=C(c1n(ccc1)[Fe]172(n2cccc2C(=c2cc(c[n]12)C(c1cn5c(c1)C(=c1[n]6ccc1)c1ccccc1)(C)C)c1ccccc1)n1cccc1C(=c1[n]7cc(C(c2cc(n4c2)C(=c2[n]3ccc2)c2ccccc2)(C)C)c1)c1ccccc1)c1ccccc1)(C)C |
Title of publication | Diastereoselective generation of triple-stranded helicates induced by gem-dimethyl groups on a linker. |
Authors of publication | Zhang, Zhan; Chen, Yakun; Dolphin, David |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 16 |
Pages of publication | 4751 - 4753 |
a | 28.2832 ± 0.0019 Å |
b | 12.7319 ± 0.0008 Å |
c | 24.0914 ± 0.0014 Å |
α | 90° |
β | 95.252 ± 0.003° |
γ | 90° |
Cell volume | 8638.9 ± 0.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0581 |
Residual factor for significantly intense reflections | 0.0456 |
Weighted residual factors for significantly intense reflections | 0.1194 |
Weighted residual factors for all reflections included in the refinement | 0.1265 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7018687.html
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Users of the data should acknowledge the original authors of the
structural data.