Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233374
Preview
Coordinates | 7233374.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H104 I2 N8 O7 |
---|---|
Calculated formula | C68 H104 I2 N8 O7 |
Title of publication | Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases |
Authors of publication | Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J. |
Journal of publication | Physical Chemistry Chemical Physics |
Year of publication | 2019 |
a | 9.8928 ± 0.0004 Å |
b | 34.9965 ± 0.0014 Å |
c | 20.5965 ± 0.0008 Å |
α | 90° |
β | 90.45 ± 0.001° |
γ | 90° |
Cell volume | 7130.6 ± 0.5 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0576 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.1197 |
Weighted residual factors for all reflections included in the refinement | 0.1243 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
217508 (current) | 2019-08-13 | cif/ Adding structures of 7233369, 7233370, 7233371, 7233372, 7233373, 7233374 via cif-deposit CGI script. |
7233374.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.