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Information card for entry 7230242
Preview
Coordinates | 7230242.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 5,5,11,11-tetrabutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11- diazadibenzo[ef,kl]heptalene-5,11-diium-bromide |
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Formula | C72 H98 Br2 N2 O4 |
Calculated formula | C56 H66 Br2 N2 |
Title of publication | Polymorphism of a porous hydrogen bond assisted ionic organic framework |
Authors of publication | Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
a | 24.343 ± 0.003 Å |
b | 15.987 ± 0.004 Å |
c | 17.571 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6838 ± 3 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 52 |
Hermann-Mauguin space group symbol | P n n a |
Hall space group symbol | -P 2a 2bc |
Residual factor for all reflections | 0.1862 |
Residual factor for significantly intense reflections | 0.1047 |
Weighted residual factors for significantly intense reflections | 0.2801 |
Weighted residual factors for all reflections included in the refinement | 0.3288 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/7230242.html
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