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Information card for entry 1571679
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Coordinates | 1571679.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | (5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-ido-κ<i>N</i>^1^)(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)zinc(II) perchlorate |
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Formula | C14 H26 Cl F N6 O6 Zn |
Calculated formula | C14 H26 Cl F N6 O6 Zn |
Title of publication | (5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-ido-κN 1)(1,4,8,11-tetraazacyclotetradecane-κ4 N)zinc(II) perchlorate |
Authors of publication | Ichimaru, Yoshimi; Kato, Koichi; Jin, Wanchun; Kurihara, Masaaki; Kurosaki, Hiromasa |
Journal of publication | IUCrData |
Year of publication | 2024 |
Journal volume | 9 |
Journal issue | 5 |
a | 9.8065 ± 0.0002 Å |
b | 12.5029 ± 0.0003 Å |
c | 16.1592 ± 0.0003 Å |
α | 90° |
β | 95.599 ± 0.002° |
γ | 90° |
Cell volume | 1971.82 ± 0.07 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 7 |
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 | 0.0645 |
Residual factor for significantly intense reflections | 0.0635 |
Weighted residual factors for significantly intense reflections | 0.1773 |
Weighted residual factors for all reflections included in the refinement | 0.1785 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1571679.html
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Users of the data should acknowledge the original authors of the
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