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Information card for entry 2105510
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Coordinates | 2105510.cif |
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Original IUCr paper | HTML |
Chemical name | Phenylphosphonic acid‒1,4-diazabicyclo[2.2.2]octane (2/1) |
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Formula | C18 H26 N2 O6 P2 |
Calculated formula | C18 H26 N2 O6 P2 |
Title of publication | Chain, Sheet and Framework Structures in the Adducts of Phenylphosphonic Acid with 4,4'-Bipyridyl (1/1), Piperazine (2/1) and 1,4-Diazabicyclo[2.2.2]octane (2/1) |
Authors of publication | Ferguson, G.; Glidewell, C.; Gregson, R. M.; Meehan, P. R. |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 1998 |
Journal volume | 54 |
Journal issue | 2 |
Pages of publication | 129 - 138 |
a | 6.3607 ± 0.0003 Å |
b | 21.83 ± 0.0011 Å |
c | 14.5965 ± 0.0009 Å |
α | 90° |
β | 92.558 ± 0.006° |
γ | 90° |
Cell volume | 2024.76 ± 0.19 Å3 |
Cell temperature | 294 ± 1 K |
Ambient diffraction temperature | 294 ± 1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0563 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for all reflections | 0.1006 |
Weighted residual factors for all reflections included in the refinement | 0.0939 |
Goodness-of-fit parameter for all reflections | 1.036 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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