Crystallography Open Database

Information card for entry 1573929

Preview

Coordinates	1573929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H70 F3 Gd N6 O20 S
Calculated formula	C47 H50 F3 Gd N6 O20 S
Title of publication	A switch-on luminescent europium(iii) probe for selective and time-resolved detection of adenosine diphosphate (ADP).
Authors of publication	Bodman, Samantha E.; Stachelek, Patrycja; Rehman, Umatur; Plasser, Felix; Pal, Robert; Butler, Stephen J.
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	13
Pages of publication	5602 - 5612
a	16.8352 ± 0.0003 Å
b	17.2648 ± 0.0002 Å
c	18.6772 ± 0.0003 Å
α	90°
β	94.3 ± 0.002°
γ	90°
Cell volume	5413.37 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0929
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1602
Weighted residual factors for all reflections included in the refinement	0.1864
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298804 (current)	2025-04-05	cif/ Updating files of 1573929 Original log message: Adding full bibliography for 1573929.cif.	1573929.cif
297766	2025-02-20	cif/ Adding structures of 1573929 via cif-deposit CGI script.	1573929.cif