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Information card for entry 4342986
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Coordinates | 4342986.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | selenium dicyanide difluoride propionitrile-solvate |
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Formula | C8 H10 F2 N4 Se |
Calculated formula | C8 H10 F2 N4 Se |
SMILES | C(#N)[Se](F)(C#N)F.C(#N)CC.C(#N)CC |
Title of publication | Structure and Chemistry of SeFx(CN)4-x Compounds. |
Authors of publication | Fritz, Stefanie; Ehm, Christian; Lentz, Dieter |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 11 |
Pages of publication | 5220 - 5231 |
a | 12.652 ± 0.003 Å |
b | 7.3448 ± 0.0018 Å |
c | 12.726 ± 0.003 Å |
α | 90° |
β | 97.547 ± 0.004° |
γ | 90° |
Cell volume | 1172.3 ± 0.5 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0202 |
Residual factor for significantly intense reflections | 0.0175 |
Weighted residual factors for significantly intense reflections | 0.0438 |
Weighted residual factors for all reflections included in the refinement | 0.045 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4342986.html
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