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Information card for entry 7701255
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Coordinates | 7701255.cif |
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Original paper (by DOI) | HTML |
Common name | 3,5-bis(trifluoromethyl)pyrazole-4-carboxylic acid |
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Formula | C6 H2 F6 N2 O2 |
Calculated formula | C6 H2 F6 N2 O2 |
Title of publication | CFA-15 - a perfluorinated metal-organic framework with linear 1-D Cu<sup>II</sup>-chains containing accessible unsaturated, reactive metal centres. |
Authors of publication | Fritzsche, J.; Ettlinger, R.; Grzywa, M.; Jantz, S. G.; Kalytta-Mewes, A; Bunzen, H.; Höppe, H A; Volkmer, D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 40 |
Pages of publication | 15236 - 15246 |
a | 6.7891 ± 0.0004 Å |
b | 6.9057 ± 0.0003 Å |
c | 17.1652 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 804.76 ± 0.07 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 36 |
Hermann-Mauguin space group symbol | C m c 21 |
Hall space group symbol | C 2c -2 |
Residual factor for all reflections | 0.0679 |
Residual factor for significantly intense reflections | 0.0668 |
Weighted residual factors for significantly intense reflections | 0.1437 |
Weighted residual factors for all reflections included in the refinement | 0.1447 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.208 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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