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Information card for entry 1567903
Preview
Coordinates | 1567903.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 2,5,8,11-Tetramethyl-2,5,8,11-tetraazadodecane-2,11-diium bis[hydroxytris(pentafluorophenyl)borate] benzene 2.5-solvate |
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Formula | C63 H49 B2 F30 N4 O2 |
Calculated formula | C63 H49 B2 F30 N4 O2 |
Title of publication | 2,5,8,11-Tetramethyl-2,5,8,11-tetraazadodecane-2,11-diium bis[hydroxytris(pentafluorophenyl)borate] benzene 2.5-solvate |
Authors of publication | Butcher, Ray J.; Purdy, Andrew P. |
Journal of publication | IUCrData |
Year of publication | 2022 |
Journal volume | 7 |
Journal issue | 11 |
Pages of publication | x221049 |
a | 10.4436 ± 0.0005 Å |
b | 17.3961 ± 0.0009 Å |
c | 17.8229 ± 0.0009 Å |
α | 79.729 ± 0.003° |
β | 77.923 ± 0.003° |
γ | 83.103 ± 0.003° |
Cell volume | 3104.1 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1262 |
Residual factor for significantly intense reflections | 0.0607 |
Weighted residual factors for significantly intense reflections | 0.1124 |
Weighted residual factors for all reflections included in the refinement | 0.1315 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
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/1567903.html
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