Crystallography Open Database

Information card for entry 7058909

Preview

Coordinates	7058909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.15 H53.15 Cu2 N7.25 O15.65
Calculated formula	C56.15 H53.15 Cu2 N7.25 O15.65
Title of publication	Selective Detection and Removal of Mercury Ion by Dual-Functionalized Metal-Organic Frameworks: Design-for-Purpose
Authors of publication	Esrafili, Leili; gharib, maniya; Morsali, Ali
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	46
Pages of publication	18079 - 18091
a	16.1139 ± 0.0012 Å
b	15.7868 ± 0.0011 Å
c	24.2833 ± 0.0018 Å
α	90°
β	91.623 ± 0.005°
γ	90°
Cell volume	6174.9 ± 0.8 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 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	0.2111
Residual factor for significantly intense reflections	0.1381
Weighted residual factors for significantly intense reflections	0.3461
Weighted residual factors for all reflections included in the refinement	0.3977
Goodness-of-fit parameter for all reflections included in the refinement	1.268
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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