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Information card for entry 1519443
Preview
| Coordinates | 1519443.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C219 H238.34 Cu15 F45 N48 O117.67 P6 S15 |
|---|---|
| Calculated formula | C219 H207 Cu15 F45 N48 O117.666 P6 S15 |
| Title of publication | Homochiral self-assembly of biocoordination polymers: anion-triggered helicity and absolute configuration inversion |
| Authors of publication | Marino, Nadia; Armentano, Donatella; Pardo, Emilio; Vallejo, Julia; Neve, Francesco; Di Donna, Leonardo; De Munno, Giovanni |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 7 |
| Pages of publication | 4300 |
| a | 17.821 ± 0.002 Å |
| b | 49.945 ± 0.005 Å |
| c | 18.529 ± 0.002 Å |
| α | 90° |
| β | 108.269 ± 0.006° |
| γ | 90° |
| Cell volume | 15661 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0621 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1454 |
| Weighted residual factors for all reflections included in the refinement | 0.1564 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary. |
1519443.cif |
| 143364 | 2015-07-10 | cif/ Updating files of 1519442, 1519443 Original log message: Adding full bibliography for 1519442--1519443.cif. |
1519443.cif |
| 135808 | 2015-05-09 | cif/ Adding structures of 1519442, 1519443 via cif-deposit CGI script. |
1519443.cif |
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Users of the data should acknowledge the original authors of the
structural data.