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Information card for entry 7015349
Preview
Coordinates | 7015349.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Boc-Fca2-OMe |
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Formula | C28 H30 Fe2 N2 O5 |
Calculated formula | C28 H30 Fe2 N2 O5 |
SMILES | [Fe]12345678([c]9([cH]7[cH]4[cH]1[cH]69)NC(=O)[c]14[Fe]679%10%11%12%13([cH]%14[cH]6[cH]7[cH]9[c]%10%14NC(=O)OC(C)(C)C)[cH]([cH]%13[cH]1%11)[cH]4%12)[cH]1[c]2(C(=O)OC)[cH]8[cH]5[cH]31 |
Title of publication | Redox-responsive organometallic foldamers from ferrocene amino acid: solid-phase synthesis, secondary structure and mixed-valence properties. |
Authors of publication | Siebler, Daniel; Förster, Christoph; Heinze, Katja |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 14 |
Pages of publication | 3558 - 3575 |
a | 11.656 ± 0.003 Å |
b | 19.486 ± 0.004 Å |
c | 11.051 ± 0.003 Å |
α | 90° |
β | 105.01 ± 0.008° |
γ | 90° |
Cell volume | 2424.4 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.2516 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for significantly intense reflections | 0.0694 |
Weighted residual factors for all reflections included in the refinement | 0.1091 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.622 |
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/7015349.html
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Users of the data should acknowledge the original authors of the
structural data.