Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4082479
Preview
| Coordinates | 4082479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H39 B Cl2 N4 Zn |
|---|---|
| Calculated formula | C43 H39 B Cl2 N4 Zn |
| SMILES | [Zn]12(Cl)(Cl)[n]3c(cc(C#Cc4ccc(B(c5c(cc(cc5C)C)C)c5c(cc(cc5C)C)C)cc4)cc3c3[n]2cccc3)c2[n]1cccc2.C(#N)C |
| Title of publication | Terpyridine‒Triarylborane Conjugates for the Dual Complexation of Zinc(II) Cation and Fluoride Anion |
| Authors of publication | Lee, Young Hoon; Nghia, Nguyen Van; Go, Min Jeong; Lee, Junseong; Lee, Sang Uck; Lee, Min Hyung |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 3 |
| Pages of publication | 753 |
| a | 8.236 ± 0.0016 Å |
| b | 12.962 ± 0.003 Å |
| c | 18.207 ± 0.004 Å |
| α | 84.03 ± 0.03° |
| β | 85.26 ± 0.03° |
| γ | 83.31 ± 0.03° |
| Cell volume | 1915.1 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0666 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.1406 |
| Weighted residual factors for all reflections included in the refinement | 0.1529 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.63 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' 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 524 files were changed. |
4082479.cif |
| 178713 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/24. |
4082479.cif |
| 104417 | 2014-03-11 | cif/ Adding structures of 4082478, 4082479, 4082480, 4082481 via cif-deposit CGI script. |
4082479.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.