Crystallography Open Database

Information card for entry 2230124

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Structure parameters

Chemical name	Tris(allylthiourea-κ<i>S</i>)bromidozinc(II) bromide
Formula	C12 H24 Br2 N6 S3 Zn
Calculated formula	C12 H24 Br2 N6 S3 Zn
SMILES	C(N)(NCC=C)=[S][Zn](Br)([S]=C(N)NCC=C)[S]=C(N)NCC=C.[Br-]
Title of publication	Tris(allylthiourea-κ<i>S</i>)bromidozinc(II) bromide
Authors of publication	Sun, Hai-Qing; Wang, Xin-Qiang; Jin, Tao
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	5
Pages of publication	m543
a	11.3591 ± 0.0002 Å
b	11.3591 ± 0.0002 Å
c	14.5172 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	1622.19 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.02
Residual factor for significantly intense reflections	0.0189
Weighted residual factors for significantly intense reflections	0.0441
Weighted residual factors for all reflections included in the refinement	0.0445
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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