Information card for entry 2312155
Chemical name
1,2,5-Selenodiazole-3,4-dicarbonitrile–hydroquinone (1/1)
Formula
C14 H6 N8 O2 Se2
Calculated formula
C14 H6 N8 O2 Se2
Title of publication
<sup>77</sup>Se and <sup>125</sup>Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals.
Authors of publication
Nag, Tamali; Ovens, Jeffrey S.; Bryce, David L.
Journal of publication
Acta crystallographica. Section C, Structural chemistry
Year of publication
2022
Journal volume
78
Journal issue
Pt 10
Pages of publication
517 - 523
a
6.2634 ± 0.0016 Å
b
7.4089 ± 0.0019 Å
c
18.32 ± 0.005 Å
α
90°
β
96.42 ± 0.005°
γ
90°
Cell volume
844.8 ± 0.4 Å3
Cell temperature
203 ± 2 K
Ambient diffraction temperature
203 ± 2 K
Number of distinct elements
5
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
0.0589
Residual factor for significantly intense reflections
0.0331
Weighted residual factors for significantly intense reflections
0.0664
Weighted residual factors for all reflections included in the refinement
0.0729
Goodness-of-fit parameter for all reflections included in the refinement
1.004
Diffraction radiation wavelength
0.71073 Å
Diffraction radiation type
MoKα
Has coordinates
Yes
Has disorder
No
Has Fobs
Yes
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The link is:
https://www.crystallography.net/2312155.html