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Information card for entry 7216327
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Coordinates | 7216327.cif |
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Original paper (by DOI) | HTML |
Common name | (bis(iodo)-bis(3-methylpyridine)-cadmium(ii)) (Compound 12, RT dataset, 12a) |
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Chemical name | [bis(iodo)-bis(3-methylpyridine)-cadmium(ii)] (Compound 12, RT dataset, 12a) |
Formula | C12 H14 Cd I2 N2 |
Calculated formula | C12 H14 Cd I2 N2 |
SMILES | [Cd](I)(I)([n]1cc(ccc1)C)[n]1cc(ccc1)C |
Title of publication | Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands |
Authors of publication | Hu, Chunhua; Li, Qi; Englert, Ulli |
Journal of publication | CrystEngComm |
Year of publication | 2003 |
Journal volume | 5 |
Journal issue | 94 |
Pages of publication | 519 |
a | 9.6737 ± 0.0015 Å |
b | 15.49 ± 0.002 Å |
c | 11.392 ± 0.0019 Å |
α | 90° |
β | 100.329 ± 0.003° |
γ | 90° |
Cell volume | 1679.4 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
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 | 0.049 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.092 |
Weighted residual factors for all reflections included in the refinement | 0.0978 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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