Crystallography Open Database

Information card for entry 2204397

2204396 << 2204397 >> 2204398

Preview

Structure parameters

Formula	C12 H24 Cl2 N6 S3 Zn
Calculated formula	C12 H24 Cl2 N6 S3 Zn
SMILES	Cl[Zn]([S]=C(N)NCC=C)([S]=C(N)NCC=C)[S]=C(N)NCC=C.[Cl-]
Title of publication	Tris(allylthiourea-κ<i>S</i>)chlorozinc(II) chloride
Authors of publication	Hai Qing Sun; Wen Tao Yu; Duo Rong Yuan; Xin Qing Wang; Gang, Xue
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	10
Pages of publication	m1431 - m1433
a	11.0498 ± 0.0004 Å
b	11.0498 ± 0.0004 Å
c	16.0416 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	1696.24 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.05
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2204397.html