Crystallography Open Database

Information card for entry 7236645

Preview

Coordinates	7236645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H38 Cl Cu4 Hg0.5 N4 O15 S4
Calculated formula	C24 H32 Cl Cu4 Hg0.5 N4 O15 S4
Title of publication	Fine-tuning of the confined space in microporous metal‒organic frameworks for efficient mercury removal
Authors of publication	Mon, Marta; Qu, Xiaoni; Ferrando-Soria, Jesús; Pellicer-Carreño, Isaac; Sepúlveda-Escribano, Antonio; Ramos-Fernandez, Enrique V.; Jansen, Johannes C.; Armentano, Donatella; Pardo, Emilio
Journal of publication	Journal of Materials Chemistry A
Year of publication	2017
Journal volume	5
Journal issue	38
Pages of publication	20120
a	13.0954 ± 0.0015 Å
b	13.0954 ± 0.0015 Å
c	11.5653 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1983.3 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	8
Space group number	77
Hermann-Mauguin space group symbol	P 42
Hall space group symbol	P 4c
Residual factor for all reflections	0.1177
Residual factor for significantly intense reflections	0.1045
Weighted residual factors for significantly intense reflections	0.2617
Weighted residual factors for all reflections included in the refinement	0.2708
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
236381 (current)	2019-11-24	cif/ Adding structures of 7236644, 7236645, 7236646 via cif-deposit CGI script.	7236645.cif