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Information card for entry 2312520
Preview
Coordinates | 2312520.cif |
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Original IUCr paper | HTML |
Chemical name | 1-Aza-4-azoniabicyclo[2.2.2]octane 4-hydroxybenzoate |
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Formula | C13 H18 N2 O3 |
Calculated formula | C13 H18 N2 O3 |
Title of publication | Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers. |
Authors of publication | Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | 6 |
a | 15.3994 ± 0.0005 Å |
b | 10.6592 ± 0.0003 Å |
c | 16.9261 ± 0.0006 Å |
α | 90° |
β | 110.424 ± 0.004° |
γ | 90° |
Cell volume | 2603.68 ± 0.16 Å3 |
Cell temperature | 130 ± 0.1 K |
Ambient diffraction temperature | 130 ± 0.1 K |
Number of distinct elements | 4 |
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 | 0.0688 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.1053 |
Weighted residual factors for all reflections included in the refinement | 0.1201 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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292001 (current) | 2024-05-23 | cif/ Adding structures of 2312509, 2312510, 2312511, 2312512, 2312513, 2312514, 2312515, 2312516, 2312517, 2312518, 2312519, 2312520 via cif-deposit CGI script. |
2312520.cif |
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Users of the data should acknowledge the original authors of the
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