Crystallography Open Database

Information card for entry 7243705

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Coordinates	7243705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H108 Ce N9 O12 S2
Calculated formula	C50 H107 Ce N9 O12 S2
Title of publication	Multifunctional rare earth molecular ferroelectrics with a piezoelectric response: ((nBu)4N)3[Ce(NO3)4(SCN)2]((CH3CH2CH2CH2)4N = tetrabutylammonium)
Authors of publication	Ying, Tingting; Tan, Yuhui; Tang, Yunzhi; Long, Xiao; Song, Ning; Li, Yukong; Sun, Zhen
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	46
Pages of publication	8104 - 8109
a	16.1541 ± 0.0002 Å
b	18.0486 ± 0.0002 Å
c	23.7037 ± 0.0003 Å
α	90°
β	91.155 ± 0.001°
γ	90°
Cell volume	6909.62 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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