Crystallography Open Database

Information card for entry 1558049

Preview

Coordinates	1558049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H86 Cl4 N12 O39 Yb6
Calculated formula	C40 H86 Cl4 N12 O39 Yb6
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	12.1098 ± 0.0003 Å
b	12.8247 ± 0.0003 Å
c	24.7696 ± 0.0006 Å
α	97.196 ± 0.002°
β	102.549 ± 0.001°
γ	98.363 ± 0.002°
Cell volume	3665.67 ± 0.16 Å³
Cell temperature	201 ± 2 K
Ambient diffraction temperature	201 ± 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	0.0464
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0749
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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.	1558049.cif
251975	2020-05-12	cif/ Adding structures of 1558048, 1558049 via cif-deposit CGI script.	1558049.cif