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Information card for entry 4082069
Preview
Coordinates | 4082069.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H12 N2 Se |
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Calculated formula | C13 H12 N2 Se |
SMILES | N(c2cccc3cccc([Se]C#N)c23)(C)C |
Title of publication | Synthesis of Selenenium Ions: Isolation of Highly Conjugated, pH-Sensitive 4,4′-Bis(methylimino)-1,1′-binaphthylene-5-diselenenium(II) Triflate |
Authors of publication | Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 24 |
Pages of publication | 7275 |
a | 9.1305 ± 0.0005 Å |
b | 13.9195 ± 0.0008 Å |
c | 19.2955 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2452.3 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1808 |
Residual factor for significantly intense reflections | 0.0301 |
Weighted residual factors for significantly intense reflections | 0.046 |
Weighted residual factors for all reflections included in the refinement | 0.0574 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.663 |
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/4082069.html
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