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Information card for entry 1563358
Preview
Coordinates | 1563358.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H7 Cl2 N4 O2 |
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Calculated formula | C15 H7 Cl2 N4 O2 |
Title of publication | Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure |
Authors of publication | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka |
Journal of publication | IUCrJ |
Year of publication | 2021 |
Journal volume | 8 |
Journal issue | 4 |
a | 6.7832 Å |
b | 10.0779 Å |
c | 20.4867 ± 0.0002 Å |
α | 90° |
β | 94.754° |
γ | 90° |
Cell volume | 1395.66 ± 0.014 Å3 |
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 | 0.0301 |
Residual factor for significantly intense reflections | 0.0301 |
Weighted residual factors for significantly intense reflections | 0.0371 |
Weighted residual factors for all reflections included in the refinement | 0.0389 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
Diffraction radiation wavelength | 0.71073 Å |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
288248 (current) | 2023-12-12 | cif/ Removed the misspelt '_symmetry_space_group_name_h-m_alt' data name since the same space group information is already provided using proper data names. |
1563358.cif |
266414 | 2021-06-12 | cif/ Adding structures of 1563356, 1563357, 1563358, 1563359, 1563360, 1563361, 1563362, 1563363, 1563364, 1563365, 1563366, 1563367, 1563368, 1563369, 1563370, 1563371, 1563372, 1563373 via cif-deposit CGI script. |
1563358.cif |
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Users of the data should acknowledge the original authors of the
structural data.