Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7113867
Preview
| Coordinates | 7113867.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28.2 H19.8 Cl2 N2.6 O Zn |
|---|---|
| Calculated formula | C28.2 H19.8 Cl2 N2.6 O Zn |
| Title of publication | Spontaneous chiral resolution of a coordination polymer with distorted helical structure consisting of achiral building blocks |
| Authors of publication | Siemeling, Ulrich; Scheppelmann, Imke; Neumann, Beate; Stammler, Anja; Stammler, Hans-Georg; Frelek, Jadwiga |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 17 |
| Pages of publication | 2236 - 2237 |
| a | 27.453 ± 0.0008 Å |
| b | 7.125 ± 0.0003 Å |
| c | 13.017 ± 0.0005 Å |
| α | 90° |
| β | 104.473 ± 0.0015° |
| γ | 90° |
| Cell volume | 2465.36 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0523 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0841 |
| Weighted residual factors for all reflections included in the refinement | 0.0911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7103898 |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210639 (current) | 2018-09-09 | cif/7/ Updating bibliography in entries 7103898-7103899, 7113867-7113868. Marking entries 7113867-7113868 as duplicates of entries 7103898-7103899. |
7113867.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7113867.cif |
| 173443 | 2016-01-04 | cif/ (antanas@kurmis) Updating bibliographies for multiple entries. |
7113867.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7113867.cif |
| 115318 | 2014-06-03 | cif/ Adding structures of 7113867, 7113868 via cif-deposit CGI script. |
7113867.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.