Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015635
Preview
Coordinates | 7015635.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H20 F6 N12 O6 S2 Zn |
---|---|
Calculated formula | C22 H20 F6 N12 O6 S2 Zn |
SMILES | S(=O)(=O)([O-])C(F)(F)F.[Zn]1234([n]5cccn5C(n5ccc[n]15)n1ccc[n]31)[n]1cccn1C(n1ccc[n]21)n1ccc[n]41.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Synthesis, characterization, crystal structure and preliminary reactivity behaviour of new heteropolytopic ligands based on the 1,3,5-triazine spacer and pyrazolyl, tris-pyrazolylmethyl and tris-pyrazolylethoxy bonding fragments. |
Authors of publication | Di Nicola, C.; Garau, F.; Marchetti, F.; Monari, M.; Pandolfo, L.; Pettinari, C.; Venzo, A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 18 |
Pages of publication | 4941 - 4953 |
a | 7.9565 ± 0.0016 Å |
b | 9.891 ± 0.002 Å |
c | 10.939 ± 0.002 Å |
α | 68.19 ± 0.03° |
β | 83.31 ± 0.03° |
γ | 82.96 ± 0.03° |
Cell volume | 790.9 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2976 |
Residual factor for significantly intense reflections | 0.1524 |
Weighted residual factors for significantly intense reflections | 0.3195 |
Weighted residual factors for all reflections included in the refinement | 0.3865 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179860 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/56. |
7015635.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015635.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015635.cif |
21209 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015634, 7015635, 7015636, 7015637 via cif-deposit CGI script. |
7015635.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.