Crystallography Open Database

Information card for entry 1572905

Preview

Coordinates	1572905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C160 H124 Er2 N17 Nd O21
Calculated formula	C160 H124 Er2 N17 Nd O21
Title of publication	Energy exchange between Nd<sup>3+</sup> and Er<sup>3+</sup> centers within molecular complexes.
Authors of publication	Maniaki, Diamantoula; Sickinger, Annika; Barrios, Leoní A; Aguilà, David; Roubeau, Olivier; Guyot, Yannick; Riobé, François; Maury, Olivier; Abad Galán, Laura; Aromí, Guillem
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	44
Pages of publication	18295 - 18302
a	16.4316 ± 0.0016 Å
b	19.567 ± 0.0017 Å
c	23.352 ± 0.002 Å
α	108.849 ± 0.005°
β	108.693 ± 0.005°
γ	92.157 ± 0.005°
Cell volume	6646.6 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0833
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.132
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296356 (current)	2024-12-06	cif/ Updating files of 1572905 Original log message: Adding full bibliography for 1572905.cif.	1572905.cif
295551	2024-10-20	cif/ Adding structures of 1572905 via cif-deposit CGI script.	1572905.cif