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Information card for entry 1517759
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Coordinates | 1517759.cif |
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Formula | C14 H18 N4 Se2 |
---|---|
Calculated formula | C14 H18 N4 Se2 |
SMILES | [Se]([Se]c1nccc(c1)N(C)C)c1nccc(c1)N(C)C |
Title of publication | Synthesis and characterization of 4-(dimethylaminopyridyl)chalcogenides (Se, Te): X-ray structure of bis(4-dimethylamino-2-pyridyl) diselenide, bis(4-dimethylamino-2-pyridylselenenyl)methane and 4-dimethylamino-2,6-bis(methylselenenyl)pyridine |
Authors of publication | Jaspreet S. Dhau; Rupy Dhir; Amritpal Singh; Paula Brandao; Vitor Felix |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2013 |
Journal volume | 404 |
Pages of publication | 160 - 166 |
a | 8.5245 ± 0.0017 Å |
b | 8.536 ± 0.0016 Å |
c | 10.7494 ± 0.0019 Å |
α | 83.933 ± 0.008° |
β | 79.358 ± 0.008° |
γ | 85.138 ± 0.008° |
Cell volume | 762.7 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.052 |
Residual factor for significantly intense reflections | 0.0459 |
Weighted residual factors for significantly intense reflections | 0.139 |
Weighted residual factors for all reflections included in the refinement | 0.1418 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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