Crystallography Open Database

Information card for entry 2104284

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Coordinates	2104284.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	m-tetrachlorodicyanobenzene polymorph II
Formula	C8 Cl4 N2
Calculated formula	C7.99998 Cl4.00002 N1.99998
Title of publication	Planar packing of tetrachlorodicyanobenzenes. II
Authors of publication	Britton, Doyle
Journal of publication	Acta Crystallographica Section B
Year of publication	2009
Journal volume	65
Journal issue	1
Pages of publication	54 - 58
a	9.2171 ± 0.0014 Å
b	9.2171 ± 0.0014 Å
c	9.935 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	730.9 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.237
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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