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Information card for entry 7217727
Preview
| Coordinates | 7217727.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C206 H146 Cl18 N18 O2 Zn6 |
|---|---|
| Calculated formula | C186 H126 Cl12 N18 Zn6 |
| SMILES | [Zn]1(Cl)(Cl)[n]2ccc(cc2)c2nc(cc(c2)c2ccc(cc2)c2c3ccccc3ccc2)c2cc[n]([Zn](Cl)(Cl)[n]3ccc(cc3)c3nc(cc(c3)c3ccc(cc3)c3c4ccccc4ccc3)c3cc[n]([Zn](Cl)(Cl)[n]4ccc(cc4)c4nc(cc(c4)c4ccc(cc4)c4c5ccccc5ccc4)c4cc[n]([Zn](Cl)(Cl)[n]5ccc(cc5)c5nc(cc(c5)c5ccc(cc5)c5c6ccccc6ccc5)c5cc[n]([Zn](Cl)(Cl)[n]6ccc(cc6)c6nc(cc(c6)c6ccc(cc6)c6c7ccccc7ccc6)c6cc[n]([Zn](Cl)(Cl)[n]7ccc(cc7)c7nc(cc(c7)c7ccc(cc7)c7c8ccccc8ccc7)c7cc[n]1cc7)cc6)cc5)cc4)cc3)cc2 |
| 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 | 70.6015 ± 0.0018 Å |
| b | 70.6015 ± 0.0018 Å |
| c | 23.992 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 103568 ± 5 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.179 |
| Residual factor for significantly intense reflections | 0.1199 |
| Weighted residual factors for significantly intense reflections | 0.2869 |
| Weighted residual factors for all reflections included in the refinement | 0.3228 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| 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. |
7217727.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. |
7217727.cif |
| 121921 | 2014-08-14 | cif/ Adding structures of 7217724, 7217725, 7217726, 7217727, 7217728, 7217729 via cif-deposit CGI script. |
7217727.cif |
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