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Information card for entry 4518395
Preview
Coordinates | 4518395.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1,10-phenanthroline-4,7-dicarbonitrile |
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Formula | C14 H6 N4 |
Calculated formula | C14 H6 N4 |
Title of publication | Comparing Crystallizations in Three Dimensions and Two Dimensions: Behavior of Isomers of [2,2?-Bipyridine]dicarbonitrile and [1,10-Phenanthroline]dicarbonitrile |
Authors of publication | Peter, Aneeshma; Mohan, Midhun; Maris, Thierry; Wuest, James D.; Duong, Adam |
Journal of publication | Crystal Growth and Design |
Year of publication | 2017 |
Journal volume | 17 |
Pages of publication | 5242 - 5248 |
a | 6.9215 ± 0.0002 Å |
b | 14.7012 ± 0.0003 Å |
c | 10.7329 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1092.12 ± 0.04 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 3 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0384 |
Residual factor for significantly intense reflections | 0.0318 |
Weighted residual factors for significantly intense reflections | 0.0802 |
Weighted residual factors for all reflections included in the refinement | 0.0845 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4518395.html
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