Crystallography Open Database

Information card for entry 1576210

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Coordinates	1576210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H48 Cl N18
Calculated formula	C56 H48 Cl N18
Title of publication	Anion-driven supramolecular gel: naked-eye detection of picric acid, facilitating <i>in situ</i> formation of gel nanocomposites and enabling solid-state anion exchange.
Authors of publication	Moral, Rubi; Pegu, Oiyao Appun; Das, Gopal
Journal of publication	Nanoscale
Year of publication	2025
Journal volume	17
Journal issue	46
Pages of publication	26845 - 26854
a	16.47 ± 0.0006 Å
b	16.47 ± 0.0006 Å
c	15.5495 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	3652.9 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1454
Residual factor for significantly intense reflections	0.1393
Weighted residual factors for significantly intense reflections	0.4081
Weighted residual factors for all reflections included in the refinement	0.4276
Goodness-of-fit parameter for all reflections included in the refinement	2.177
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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