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Information card for entry 7244877
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Coordinates | 7244877.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | tris(4-aminopyridinium)mesitylene tribromide |
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Formula | C27 H33 Br3 N6 O |
Calculated formula | C27 H33 Br3 N6 O |
Title of publication | Structure directing roles of weak noncovalent interactions and charge-assisted hydrogen bonds in the self-assembly of solvated podands: Example of an anion-assisted dimeric water capsule |
Authors of publication | Dey, Sandeep Kumar; Harmalkar, Sarvesh S.; Yadav, Rahul K. H. O.; Lama, Prem; Das, Gopal |
Journal of publication | CrystEngComm |
Year of publication | 2022 |
a | 10.4686 ± 0.0012 Å |
b | 10.5937 ± 0.001 Å |
c | 14.3939 ± 0.0018 Å |
α | 104.077 ± 0.004° |
β | 105.163 ± 0.003° |
γ | 96.007 ± 0.005° |
Cell volume | 1470.1 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0969 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.1132 |
Weighted residual factors for all reflections included in the refinement | 0.1518 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7244877.html
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