Crystallography Open Database

Information card for entry 7718781

Preview

Coordinates	7718781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H69 N6 O8 S2
Calculated formula	C66 H68 N6 O8 S2
Title of publication	Hierarchical lanthanide-based self-assembly complexes that undergo reversible luminescent response to both temperature changes and chemical reactions within competitive media.
Authors of publication	Gorai, Tumpa; Lovitt, June I.; Twamley, Brendan; Luis, Ena T.; Gunnlaugsson, Thorfinnur
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	25
Pages of publication	10022 - 10029
a	13.2792 ± 0.0004 Å
b	16.8732 ± 0.0006 Å
c	26.4228 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5920.4 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1432
Weighted residual factors for all reflections included in the refinement	0.1566
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300842 (current)	2025-07-06	cif/ Updating files of 7718781, 7718782, 7718783 Original log message: Adding full bibliography for 7718781--7718783.cif.	7718781.cif
299791	2025-05-23	cif/ Adding structures of 7718781, 7718782, 7718783 via cif-deposit CGI script.	7718781.cif