Crystallography Open Database

Information card for entry 7208713

7208712 << 7208713 >> 7208714

Preview

Coordinates	7208713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 Cd N6 S4
Calculated formula	C16 H14 Cd N6 S4
Title of publication	Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates
Authors of publication	Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	20
Pages of publication	6599
a	5.8239 ± 0.0012 Å
b	9.2118 ± 0.0018 Å
c	11.001 ± 0.002 Å
α	105.22 ± 0.03°
β	104.66 ± 0.03°
γ	102.32 ± 0.03°
Cell volume	525.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0217
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0501
Weighted residual factors for all reflections included in the refinement	0.0506
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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