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Information card for entry 1550176
Preview
Coordinates | 1550176.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24.5 H31.5 Ba2 N0.5 O19.5 |
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Calculated formula | C24.5 H31.5 Ba2 N0.5 O19.5 |
Title of publication | Modulating proton diffusion and conductivity in metal-organic frameworks by incorporation of accessible free carboxylic acid groups |
Authors of publication | Rought, Peter; Marsh, Christopher; Pili, Simona; Silverwood, Ian Philip; Garcia Sakai, Victoria; Li, Ming; Brown, Martyn; Argent, Stephen; Vitorica-Yrzebal, Inigo; Whitehead, George F. S.; Warren, Mark R.; Yang, Sihai; Schroder, Martin |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 9.3111 ± 0.0003 Å |
b | 12.4288 ± 0.0004 Å |
c | 14.3649 ± 0.0004 Å |
α | 83.592 ± 0.002° |
β | 85.579 ± 0.002° |
γ | 82.416 ± 0.002° |
Cell volume | 1634.27 ± 0.09 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 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 | 0.0626 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.154 |
Weighted residual factors for all reflections included in the refinement | 0.1605 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
Diffraction radiation wavelength | 0.6889 Å |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1550176.html
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Users of the data should acknowledge the original authors of the
structural data.