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Information card for entry 7231086
Preview
Coordinates | 7231086.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H14 N2 |
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Calculated formula | C20 H14 N2 |
Title of publication | Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors |
Authors of publication | Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 31 |
Pages of publication | 4463 |
a | 19.954 ± 0.003 Å |
b | 9.7592 ± 0.0012 Å |
c | 7.2875 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1419.1 ± 0.3 Å3 |
Cell temperature | 173 ± 0.1 K |
Ambient diffraction temperature | 173 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0582 |
Residual factor for significantly intense reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.099 |
Weighted residual factors for all reflections included in the refinement | 0.1091 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
229083 (current) | 2019-11-17 | cif/ Updating files of 7231086, 7231087, 7231088, 7231089, 7231090, 7231091 Original log message: Adding full bibliography for 7231086--7231091.cif. |
7231086.cif |
208864 | 2018-07-06 | cif/ Adding structures of 7231086, 7231087, 7231088, 7231089, 7231090, 7231091 via cif-deposit CGI script. |
7231086.cif |
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Users of the data should acknowledge the original authors of the
structural data.