Crystallography Open Database

Information card for entry 4513966

Preview

Coordinates	4513966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 Cu4 In N5 O8 S4
Calculated formula	C24 H12 Cu4 In N4 O8 S4
Title of publication	In-Situ Ligand Formation-Driven Preparation of a Heterometallic Metal-Organic Framework for Highly Selective Separation of Light Hydrocarbons and Efficient Mercury Adsorption.
Authors of publication	Han, Yi; Zheng, Hao; Liu, Kang; Wang, Hongli; Huang, Hongliang; Xie, Lin-Hua; Wang, Lei; Li, Jian-Rong
Journal of publication	ACS applied materials & interfaces
Year of publication	2016
Journal volume	8
Journal issue	35
Pages of publication	23331 - 23337
a	22.0484 ± 0.0002 Å
b	22.0484 ± 0.0002 Å
c	22.0484 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	10718.4 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	224
Hermann-Mauguin space group symbol	P n -3 m :2
Hall space group symbol	-P 4bc 2bc 3
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1463
Weighted residual factors for all reflections included in the refinement	0.1576
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
186882 (current)	2016-10-04	cif/ Adding structures of 4513966 via cif-deposit CGI script.	4513966.cif