Crystallography Open Database

Information card for entry 7710007

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Coordinates	7710007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H24 Cd N6 O4 S
Calculated formula	C6 H24 Cd N6 O4 S
Title of publication	A series of dynamic single crystals of [MII(en)3]SO4 (M = Ni , Mn, Cd) shows tunable dielectric property and anisotropic thermal expansion
Authors of publication	Wu, Cong; Gao, Kaige; Yao, Zi-Shuo; Tao, Jun
Journal of publication	Dalton Transactions
Year of publication	2022
a	9.1148 ± 0.0004 Å
b	9.1148 ± 0.0004 Å
c	9.5425 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	686.57 ± 0.06 Å³
Cell temperature	139.99 ± 0.1 K
Ambient diffraction temperature	139.99 ± 0.1 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1.15
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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