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Information card for entry 1548112
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Coordinates | 1548112.cif |
---|---|
Original IUCr paper | HTML |
Formula | C8 H8 Cd Cl2 N4 O2 |
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Calculated formula | C8 H8 Cd Cl2 N4 O2 |
SMILES | [Cd]1(Cl)([n]2cc(=O)[nH]cc2)(Cl)([n]2cc(=O)[nH]cc2)[Cl][Cd]([Cl]1)([n]1cc(=O)[nH]cc1)[n]1cc(=O)[nH]cc1 |
Title of publication | Building inorganic supramolecular architectures using principles adopted from the organic solid state |
Authors of publication | Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara |
Journal of publication | IUCrJ |
Year of publication | 2018 |
Journal volume | 5 |
Journal issue | 1 |
a | 3.7833 ± 0.0003 Å |
b | 7.6139 ± 0.0007 Å |
c | 20.1473 ± 0.0018 Å |
α | 90° |
β | 92.131 ± 0.007° |
γ | 90° |
Cell volume | 579.96 ± 0.09 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0492 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for significantly intense reflections | 0.1074 |
Weighted residual factors for all reflections included in the refinement | 0.108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.532 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1548112.html
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Users of the data should acknowledge the original authors of the
structural data.