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Information card for entry 4108827
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Coordinates | 4108827.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | tetrakis[4-(carboxyphenyl)oxamethyl]methane |
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Formula | C94 H81.5 N7 O30 Zn4 |
Calculated formula | C94 H81.5 N7 O30.02 Zn4 |
Title of publication | Flexible (Breathing) Interpenetrated Metal-Organic Frameworks for CO2 Separation Applications |
Authors of publication | Praveen K. Thallapally; Jian Tian; Motkuri Radha Kishan; Carlos A. Fernandez; Scott J. Dalgarno; Peter B. McGrail; John E. Warren; Jerry L. Atwood |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 16842 - 16843 |
a | 20.048 ± 0.003 Å |
b | 19.537 ± 0.002 Å |
c | 30.521 ± 0.004 Å |
α | 90° |
β | 96.874 ± 0.002° |
γ | 90° |
Cell volume | 11868 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0969 |
Residual factor for significantly intense reflections | 0.08 |
Weighted residual factors for significantly intense reflections | 0.2392 |
Weighted residual factors for all reflections included in the refinement | 0.2482 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.793 |
Diffraction radiation wavelength | 0.671 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/4108827.html
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