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Information card for entry 7113868
Preview
| Coordinates | 7113868.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H21 Br2 Hg N3 O |
|---|---|
| Calculated formula | C29 H21 Br2 Hg N3 O |
| 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 | 27.787 ± 0.0013 Å |
| b | 7.349 ± 0.0003 Å |
| c | 13.383 ± 0.0007 Å |
| α | 90° |
| β | 104.891 ± 0.004° |
| γ | 90° |
| Cell volume | 2641.1 ± 0.2 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.0408 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.0958 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7103899 |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7113868.cif |
| 180252 | 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 7/11/38. |
7113868.cif |
| 173443 | 2016-01-04 | cif/ (antanas@kurmis) Updating bibliographies for multiple entries. |
7113868.cif |
| 115318 | 2014-06-03 | cif/ Adding structures of 7113867, 7113868 via cif-deposit CGI script. |
7113868.cif |
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Users of the data should acknowledge the original authors of the
structural data.