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Information card for entry 7249139
Preview
Coordinates | 7249139.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62.25 H64.88 Cl3.38 O12 |
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Calculated formula | C62.244 H64.87 Cl3.374 O12 |
Title of publication | Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule |
Authors of publication | Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro |
Journal of publication | CrystEngComm |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 32 |
Pages of publication | 4272 - 4277 |
a | 11.97 ± 0.002 Å |
b | 12.882 ± 0.002 Å |
c | 18.795 ± 0.003 Å |
α | 91.412 ± 0.002° |
β | 100.706 ± 0.002° |
γ | 91.957 ± 0.002° |
Cell volume | 2844.6 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0643 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1134 |
Weighted residual factors for all reflections included in the refinement | 0.1223 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7249139.html
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structural data.