Crystallography Open Database

Information card for entry 7056749

Preview

Coordinates	7056749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H58 F6 N7 P
Calculated formula	C60 H58 F6.006 N7 P
Title of publication	Remarkably selective NH4+ binding and fluorescence sensing by tripodal tris(pyrazolyl) receptors derived from 1,3,5-triethylbenzene: structural and theoretical insights on the role of ion pairing
Authors of publication	Jonah, Tosin M.; Mathivathanan, Logesh; Morozov, Alexander N.; Mebel, Alexander M.; Raptis, Raphael G.; Kavallieratos, Konstantinos
Journal of publication	New Journal of Chemistry
Year of publication	2017
Journal volume	41
Journal issue	24
Pages of publication	14835 - 14838
a	14.7935 ± 0.0005 Å
b	14.7935 ± 0.0005 Å
c	42.5752 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	8069.2 ± 0.5 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1473
Residual factor for significantly intense reflections	0.082
Weighted residual factors for significantly intense reflections	0.1814
Weighted residual factors for all reflections included in the refinement	0.212
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7056749.cif
203228	2017-11-16	cif/ Adding structures of 7056749, 7056750 via cif-deposit CGI script.	7056749.cif