Crystallography Open Database

Information card for entry 7059462

Preview

Coordinates	7059462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 N6 O2
Calculated formula	C28 H24 N6 O2
Title of publication	A squaraine-based dipicolylamine derivative acting as a turn-on mercury(ii) fluorescent probe in water
Authors of publication	Esteves, Catarina V.; Costa, Judite; Bernard, Hélène; Tripier, Raphaël; Delgado, Rita
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	16
Pages of publication	6589 - 6600
a	8.6784 ± 0.0003 Å
b	9.857 ± 0.0004 Å
c	14.6836 ± 0.0005 Å
α	74.229 ± 0.003°
β	84.864 ± 0.003°
γ	75.053 ± 0.003°
Cell volume	1167.64 ± 0.08 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7059462.html