Crystallography Open Database

Information card for entry 1558048

Preview

Coordinates	1558048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H121 Er3 N12 O43 Yb3
Calculated formula	C42.9962 H120.983 Er3 N12 O42.996 Yb3
Title of publication	NIR-to-NIR emission on a water-soluble {Er<sub>6</sub>} and {Er<sub>3</sub>Yb<sub>3</sub>} nanosized molecular wheel.
Authors of publication	Gálico, Diogo A; Ovens, Jeffrey S.; Murugesu, Muralee
Journal of publication	Nanoscale
Year of publication	2020
Journal volume	12
Journal issue	21
Pages of publication	11435 - 11439
a	16.7567 ± 0.0005 Å
b	16.7567 ± 0.0005 Å
c	25.0576 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	6093.2 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
252856 (current)	2020-06-05	cif/ Updating files of 1558048, 1558049 Original log message: Adding full bibliography for 1558048--1558049.cif.	1558048.cif
251975	2020-05-12	cif/ Adding structures of 1558048, 1558049 via cif-deposit CGI script.	1558048.cif