Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4512405
Preview
| Coordinates | 4512405.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H41 Cd N4 O5 |
|---|---|
| Calculated formula | C52 H41 Cd N4 O5 |
| Title of publication | Molecular Tectonics of Four-Connected Network Topologies by Regulating the Ratios of Tetrahedral and Square-Planar Building Units |
| Authors of publication | Qin, Ling; Jia, Hai-Lang; Guo, Zi-Jian; Zheng, He-Gen |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 12 |
| Pages of publication | 6607 |
| a | 8.8305 ± 0.0006 Å |
| b | 19.9787 ± 0.0015 Å |
| c | 25.7425 ± 0.0019 Å |
| α | 90° |
| β | 96.821 ± 0.001° |
| γ | 90° |
| Cell volume | 4509.4 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0631 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1072 |
| Weighted residual factors for all reflections included in the refinement | 0.1121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
4512405.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4512405.cif |
| 131346 | 2015-02-07 | cif/ Updating files of 4512404, 4512405, 4512406 Original log message: Adding full bibliography for 4512404--4512406.cif. |
4512405.cif |
| 127621 | 2014-11-21 | cif/ Adding structures of 4512404, 4512405, 4512406 via cif-deposit CGI script. |
4512405.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.