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Information card for entry 7233373
Preview
Coordinates | 7233373.cif |
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Original paper (by DOI) | HTML |
Formula | C35 H55 Br N4 O4 |
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Calculated formula | C35 H55 Br N4 O4 |
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 | 16.9397 ± 0.0008 Å |
b | 19.8774 ± 0.0009 Å |
c | 21.6754 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7298.5 ± 0.6 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0848 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.0765 |
Weighted residual factors for all reflections included in the refinement | 0.0887 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
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. |
7233373.cif |
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Users of the data should acknowledge the original authors of the
structural data.