Crystallography Open Database

Information card for entry 7711716

Preview

Coordinates	7711716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H69 Cl2 N14 O35 Yb2
Calculated formula	C66 H69 Cl2 N14 O35 Yb2
Title of publication	Improved emission of Yb(III) ions in triazacyclononane-based macrocyclic ligands compared to cyclen-based ones.
Authors of publication	Kiraev, Salauat R.; Mathieu, Emilie; Kovacs, Daniel; Wells, Jordann A. L.; Tomar, Monika; Andres, Julien; Borbas, K. Eszter
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	43
Pages of publication	16596 - 16604
a	16.0996 ± 0.0014 Å
b	17.255 ± 0.002 Å
c	20.707 ± 0.0018 Å
α	87.265 ± 0.002°
β	77.241 ± 0.001°
γ	63.27 ± 0.001°
Cell volume	5002 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	170.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1007
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
279125 (current)	2022-11-09	cif/ Adding structures of 7711715, 7711716 via cif-deposit CGI script.	7711716.cif