Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7115895
Preview
Coordinates | 7115895.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H25 F6 N3 O6.5 P Pt S |
---|---|
Calculated formula | C21 H22 F6 N3 O6.5 P Pt S |
SMILES | [Pt]12(S[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)[n]3ccccc3c3[n]1c(ccc3)c1cccc[n]21.[P](F)(F)(F)(F)(F)[F-].O.O |
Title of publication | Counteranion-dependent mechanochromism of a photoluminescent platinum(II) complex with mixed terpyridine and thioglucose |
Authors of publication | Naoki Kitani; Naoto Kuwamura; Toshiaki Tsukuda; Nobuto Yoshinari; Takumi Konno |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 13529 |
a | 7.9715 ± 0.0003 Å |
b | 13.0562 ± 0.0004 Å |
c | 14.16 ± 0.0005 Å |
α | 63.162 ± 0.005° |
β | 89.461 ± 0.007° |
γ | 77.05 ± 0.006° |
Cell volume | 1274.39 ± 0.11 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 8 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for significantly intense reflections | 0.0748 |
Weighted residual factors for all reflections included in the refinement | 0.1827 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7115895.cif |
127991 | 2014-11-28 | cif/ Adding structures of 7115894, 7115895 via cif-deposit CGI script. |
7115895.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.