Crystallography Open Database

Information card for entry 2242308

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Structure parameters

Chemical name	Poly[bis(4-amino-4<i>H</i>-1,2,4-triazolium) [bis(μ~2~-4-amino-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^:<i>N</i>^2^)tetra-μ~2~-chlorido-tetrachloridotricadmium(II)] dihydrate]
Formula	C8 H22 Cd3 Cl8 N16 O2
Calculated formula	C8 H22 Cd3 Cl8 N16 O2
Title of publication	A new cadmium coordination polymer based on 4-amino-4<i>H</i>-1,2,4-triazole
Authors of publication	Said, Maha; Boughzala, Habib
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	2
Pages of publication	147 - 150
a	12.685 ± 0.003 Å
b	15.498 ± 0.003 Å
c	7.375 ± 0.002 Å
α	90°
β	97.12 ± 0.03°
γ	90°
Cell volume	1438.7 ± 0.6 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0499
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
205162 (current)	2018-01-13	cif/ hkl/ Adding structures of 2242308 via cif-deposit CGI script.	2242308.cif 2242308.hkl