Crystallography Open Database

Information card for entry 4307774

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Coordinates	4307774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H12.88 Cd3 F2 N9 O4.13
Calculated formula	C6 H7.378 Cd3 F2 N9 O4.128
Title of publication	Hydrothermal and Structural Chemistry of the Zinc(II)- and Cadmium(II)-1,2,4-Triazolate Systems
Authors of publication	Wayne Ouellette; Bruce S. Hudson; Jon Zubieta
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	4887 - 4904
a	18.07 ± 0.0006 Å
b	18.0766 ± 0.0006 Å
c	17.9952 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5878 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.215
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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