Crystallography Open Database

Information card for entry 4511507

Preview

Coordinates	4511507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H4 Cd I N5
Calculated formula	C2 H4 Cd I N5
Title of publication	Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions
Authors of publication	Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	9
Pages of publication	2126
a	7.1139 ± 0.0014 Å
b	9.9556 ± 0.0011 Å
c	10.7313 ± 0.0018 Å
α	90°
β	108.277 ± 0.007°
γ	90°
Cell volume	721.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0384
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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