Crystallography Open Database

Information card for entry 1561252

Preview

Coordinates	1561252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Cd N4 O5 S
Calculated formula	C10 H8 Cd N4 O5 S
Title of publication	Structures and properties of two coordination polymers constructed by the semirigid bi-functional 5-((1-methyl-1H-tetrazol-5-yl)thio)isophthalic acid ligand
Authors of publication	Xu, Ning; Li, Yanyan; Cheng, Qian; Zhang, Guoan
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	258
Pages of publication	453 - 459
a	8.1568 ± 0.0008 Å
b	9.2652 ± 0.0009 Å
c	10.2933 ± 0.001 Å
α	113.196 ± 0.001°
β	104.043 ± 0.001°
γ	102.826 ± 0.001°
Cell volume	648.18 ± 0.11 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0209
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0558
Weighted residual factors for all reflections included in the refinement	0.0562
Goodness-of-fit parameter for all reflections included in the refinement	1.169
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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