Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7217725
Preview
| Coordinates | 7217725.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C125 H84 Cl12 F20 N12 O5 Zn4 |
|---|---|
| Calculated formula | C108 H56 Cl8 F20 N12 Zn4 |
| SMILES | Cl[Zn]1([n]2ccc(cc2)c2cc(cc(n2)c2cc[n](cc2)[Zn]([n]2ccc(cc2)c2cc(cc(n2)c2cc[n](cc2)[Zn]([n]2ccc(cc2)c2cc(cc(n2)c2cc[n](cc2)[Zn]([n]2ccc(cc2)c2cc(cc(n2)c2cc[n]1cc2)c1ccc(cc1)c1c(F)c(F)c(F)c(F)c1F)(Cl)Cl)c1ccc(cc1)c1c(F)c(F)c(F)c(F)c1F)(Cl)Cl)c1ccc(cc1)c1c(F)c(F)c(F)c(F)c1F)(Cl)Cl)c1ccc(cc1)c1c(F)c(F)c(F)c(F)c1F)Cl |
| Title of publication | Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes |
| Authors of publication | Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 37 |
| Pages of publication | 8691 |
| a | 23.6145 ± 0.0015 Å |
| b | 23.6145 ± 0.0015 Å |
| c | 16.4568 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9177 ± 1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.1907 |
| Residual factor for significantly intense reflections | 0.0769 |
| Weighted residual factors for significantly intense reflections | 0.159 |
| Weighted residual factors for all reflections included in the refinement | 0.1884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.853 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180508 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/77. |
7217725.cif |
| 123427 | 2014-09-08 | cif/ Updating files of 7217724, 7217725, 7217726, 7217727, 7217728, 7217729 Original log message: Adding full bibliography for 7217724--7217729.cif. |
7217725.cif |
| 121921 | 2014-08-14 | cif/ Adding structures of 7217724, 7217725, 7217726, 7217727, 7217728, 7217729 via cif-deposit CGI script. |
7217725.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.