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Information card for entry 4515226
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Coordinates | 4515226.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | catena-{[Cu2(amp)4Cl][Cr(ox)3].6H2O |
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Formula | C30 H40 Cl Cr Cu2 N8 O18 |
Calculated formula | C30 H40 Cl Cr Cu2 N8 O18 |
SMILES | c1cccc2C[NH2][Cu]3([Cl][Cu]45([NH2]Cc6cccc[n]46)[NH2]Cc4[n]5cccc4)([n]12)[NH2]Cc1[n]3cccc1.[Cr]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O3)OC(=O)C(=O)O2.O.O.O.O.O.O |
Title of publication | Water Vapor Single-Gas Selectivity via Flexibility of Three Potential Materials for Autonomous Indoor Humidity Control |
Authors of publication | Tsobnang, Patrice Kenfack; Hastürk, Emrah; Fröhlich, Dominik; Wenger, Emmanuel; Durand, Pierrick; Ngolui, John Lambi; Lecomte, Claude; Janiak, Christoph |
Journal of publication | Crystal Growth & Design |
Year of publication | 2019 |
Journal volume | 19 |
Journal issue | 5 |
Pages of publication | 2869 |
a | 17.598 ± 0.0005 Å |
b | 18.303 ± 0.0005 Å |
c | 13.82 ± 0.0004 Å |
α | 90° |
β | 113.671 ± 0.001° |
γ | 90° |
Cell volume | 4076.9 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.054 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.1069 |
Weighted residual factors for all reflections included in the refinement | 0.1185 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4515226.html
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Users of the data should acknowledge the original authors of the
structural data.