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Information card for entry 7113433
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| Coordinates | 7113433.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Poly-(dipicolylglycyl-S-phenylalanine-zinc(ii) trifluormethanesulfonate) |
|---|---|
| Chemical name | Poly-(dipicolylglycyl-S-phenylalanine- zinc(II) trifluormethanesulfonate) |
| Formula | C24 H28.67 F3 N4 O8.83 S Zn |
| Calculated formula | C24 H23 F3 N4 O8.83333 S Zn |
| Title of publication | Dipicolylglycyl-phenylalanine zinc(II): a metallopeptide with a built-in conformational switch and its homochiral helical coordination polymer |
| Authors of publication | Niklas, Nicole; Hampel, Frank; Alsfasser, Ralf |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 13 |
| Pages of publication | 1586 - 1587 |
| a | 14.8038 ± 0.0001 Å |
| b | 26.8171 ± 0.0001 Å |
| c | 21.9026 ± 0.0001 Å |
| α | 90° |
| β | 92.039 ± 0.001° |
| γ | 90° |
| Cell volume | 8689.72 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0986 |
| Residual factor for significantly intense reflections | 0.082 |
| Weighted residual factors for significantly intense reflections | 0.2185 |
| Weighted residual factors for all reflections included in the refinement | 0.2283 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.725 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7103725 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210515 (current) | 2018-09-07 | cif/7/ Updating bibliography in entries 7103725, 7113433. Marking entry 7113433 as a duplicate of entry 7103725. |
7113433.cif |
| 180248 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/34. |
7113433.cif |
| 132627 | 2015-03-03 | cif/ (antanas@koala.ibt.lt) Removing unrecognised tags from CIFs in range 4/ and range 7/. |
7113433.cif |
| 115058 | 2014-06-02 | cif/ Adding structures of 7113433 via cif-deposit CGI script. |
7113433.cif |
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