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Information card for entry 4505719
Preview
Coordinates | 4505719.cif |
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Original paper (by DOI) | HTML |
Chemical name | 1,3,5-Cyclohexane tricarboxylate - 1,4-bis(4-pyridinium)ethylene |
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Formula | C15 H17 N O6 |
Calculated formula | C15 H17 N O6 |
Title of publication | Cocrystals of 1,3,5-Cyclohexanetricarboxylic Acid with 4,4‘-Bipyridine Homologues: Acid···Pyridine Hydrogen Bonding in Neutral and Ionic Complexes |
Authors of publication | Bhogala, Balakrishna R.; Nangia, Ashwini |
Journal of publication | Crystal Growth & Design |
Year of publication | 2003 |
Journal volume | 3 |
Journal issue | 4 |
Pages of publication | 547 |
a | 12.43 ± 0.003 Å |
b | 5.0616 ± 0.001 Å |
c | 22.779 ± 0.005 Å |
α | 90° |
β | 90.41 ± 0.03° |
γ | 90° |
Cell volume | 1433.1 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1195 |
Residual factor for significantly intense reflections | 0.0565 |
Weighted residual factors for significantly intense reflections | 0.1088 |
Weighted residual factors for all reflections included in the refinement | 0.1411 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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