Crystallography Open Database

Information card for entry 7134651

Preview

Coordinates	7134651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Cl In N2 O4
Calculated formula	C20 H20 Cl In N2 O4
Title of publication	Aggregation-induced emission-active indium complex as fluorescent turn-off chemosensor for perfluoroalkyl substances
Authors of publication	Baumeyer, Oliver; Wu, Andrew; Pandya, Aastha; Nelson, Peter; Hillesheim, Patrick C.; Zeller, Matthias; Carignan, Gia M.; Li, Jing; Ki, Daniel W.
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	55
Pages of publication	10170 - 10173
a	13.5529 ± 0.0005 Å
b	7.6912 ± 0.0003 Å
c	19.3672 ± 0.0008 Å
α	90°
β	106.088 ± 0.002°
γ	90°
Cell volume	1939.74 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.026
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0454
Weighted residual factors for all reflections included in the refinement	0.0469
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300398 (current)	2025-07-06	cif/ Updating files of 7134651 Original log message: Adding full bibliography for 7134651.cif.	7134651.cif
299960	2025-06-05	cif/ Adding structures of 7134651 via cif-deposit CGI script.	7134651.cif