Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7053748
Preview
Coordinates | 7053748.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H58 Cs2 O24 S2 |
---|---|
Calculated formula | C24 H48 Cs2 O24 S2 |
Title of publication | Crystal forms of highly “dynamic” 18-crown[6] complexes with M[HSO4] and M[H2PO4] (M+ = NH4+, Rb+, Cs+): thermal behaviour and solid-state preparation |
Authors of publication | Braga, Dario; Modena, Enrico; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia |
Journal of publication | New Journal of Chemistry |
Year of publication | 2008 |
Journal volume | 32 |
Journal issue | 10 |
Pages of publication | 1718 |
a | 11.064 ± 0.004 Å |
b | 8.655 ± 0.003 Å |
c | 22.644 ± 0.008 Å |
α | 90° |
β | 100.907 ± 0.006° |
γ | 90° |
Cell volume | 2129.2 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0524 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0762 |
Weighted residual factors for all reflections included in the refinement | 0.0835 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.871 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180091 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/37. |
7053748.cif |
96602 | 2014-01-29 | cif/ Adding structures of 7053745, 7053746, 7053747, 7053748 via cif-deposit CGI script. |
7053748.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.