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Information card for entry 2221084
Preview
Coordinates | 2221084.cif |
---|---|
Structure factors | 2221084.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(4-chlorobenzylammonium) tetrakis(2,6-diethylanilinium) cyclohexaphosphate tetrahydrate |
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Formula | C54 H90 Cl2 N6 O22 P6 |
Calculated formula | C54 H90 Cl2 N6 O22 P6 |
SMILES | c1(c(cccc1CC)CC)[NH3+].[NH3+]c1c(cccc1CC)CC.[NH3+]Cc1ccc(cc1)Cl.[O-]P1(=O)OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)(O1)[O-].O.O.c1(c(cccc1CC)CC)[NH3+].[NH3+]c1c(cccc1CC)CC.[NH3+]Cc1ccc(cc1)Cl.O.O |
Title of publication | Bis(4-chlorobenzylammonium) tetrakis(2,6-diethylanilinium) cyclohexaphosphate tetrahydrate |
Authors of publication | Amri, Olfa; Abid, Sonia; Rzaigui, Mohamed |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 3 |
Pages of publication | o654 |
a | 31.437 ± 0.002 Å |
b | 14.178 ± 0.002 Å |
c | 16.034 ± 0.002 Å |
α | 90° |
β | 99.6 ± 0.02° |
γ | 90° |
Cell volume | 7046.5 ± 1.5 Å3 |
Cell temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1037 |
Residual factor for significantly intense reflections | 0.0528 |
Weighted residual factors for significantly intense reflections | 0.1242 |
Weighted residual factors for all reflections included in the refinement | 0.1437 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mokα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2221084.html
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