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Information card for entry 7209540
Preview
Coordinates | 7209540.cif |
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Original paper (by DOI) | HTML |
Common name | 3,3'-AzoPy 1-HB-XB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4- PhCOOH)2 |
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Chemical name | 3,3'-AzoPy 1-HB-XB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4-PhCOOH)2 |
Formula | C24 H10 F8 I2 N4 O4 |
Calculated formula | C24 H10 F8 I2 N4 O4 |
Title of publication | Competing hydrogen-bond and halogen-bond donors in crystal engineering |
Authors of publication | Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 16 |
Pages of publication | 3125 |
a | 4.902 ± 0.0003 Å |
b | 21.4561 ± 0.0012 Å |
c | 12.1298 ± 0.0007 Å |
α | 90° |
β | 100.151 ± 0.002° |
γ | 90° |
Cell volume | 1255.82 ± 0.13 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0239 |
Residual factor for significantly intense reflections | 0.0207 |
Weighted residual factors for significantly intense reflections | 0.0492 |
Weighted residual factors for all reflections included in the refinement | 0.0508 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7209540.html
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