Crystallography Open Database

Information card for entry 4304970

Preview

Coordinates	4304970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H10 Cd3 N10 O7 S2
Calculated formula	C4 H10 Cd3 N10 O7 S2
Title of publication	Synthesis, Structure, and Physical Properties of a New Anions-Controlled Cd(II)-Guanazole (3,5-Diamino-1,2,4-triazole) Hybrid Family
Authors of publication	Rui-Bo Zhang; Zhao-Ji Li; Ye-Yan Qin; Jian-Kai Cheng; Jian Zhang; Yuan-Gen Yao
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	4861 - 4876
a	10.648 ± 0.009 Å
b	8.503 ± 0.007 Å
c	17.185 ± 0.015 Å
α	90°
β	95.36 ± 0.013°
γ	90°
Cell volume	1549 ± 2 Å³
Cell temperature	294.15 K
Ambient diffraction temperature	294.15 K
Number of distinct elements	6
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	0.0406
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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