Crystallography Open Database

Information card for entry 4515007

Preview

Coordinates	4515007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 Hg2 I8 N8
Calculated formula	C36 H40 Hg2 I8 N8
Title of publication	Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.
Authors of publication	Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin
Journal of publication	ACS omega
Year of publication	2019
Journal volume	4
Journal issue	5
Pages of publication	8926 - 8934
a	9.8915 ± 0.0008 Å
b	22.0721 ± 0.0012 Å
c	12.3769 ± 0.0013 Å
α	90°
β	104.223 ± 0.008°
γ	90°
Cell volume	2619.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1321
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1656
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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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