Crystallography Open Database

Information card for entry 7236644

Preview

Coordinates	7236644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H42 Cu4 N4 O17 S4
Calculated formula	C24 H32 Cu4 N4 O14 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	13.6593 ± 0.0002 Å
b	13.6593 ± 0.0002 Å
c	12.0051 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2239.87 ± 0.09 Å³
Cell temperature	45 ± 2 K
Ambient diffraction temperature	45 ± 2 K
Number of distinct elements	6
Space group number	77
Hermann-Mauguin space group symbol	P 42
Hall space group symbol	P 4c
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.1329
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.67165 Å
Diffraction radiation type	synchrotron
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.	7236644.cif