Crystallography Open Database

Information card for entry 7045006

Preview

Coordinates	7045006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H57 Er0.05 Si6 Y0.95
Calculated formula	C21 H57 Er0.052 Si6 Y0.982
Title of publication	Low coordinated mononuclear erbium(iii) single-molecule magnets with C<sub>3v</sub> symmetry: a method for altering single-molecule magnet properties by incorporating hard and soft donors.
Authors of publication	Zhang, Haitao; Nakanishi, Ryo; Katoh, Keiichi; Breedlove, Brian K.; Kitagawa, Yasutaka; Yamashita, Masahiro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	2
Pages of publication	302 - 305
a	16.3386 ± 0.0004 Å
b	16.3386 ± 0.0004 Å
c	8.6228 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	1993.47 ± 0.1 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	5
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
229578 (current)	2019-11-17	cif/ Updating files of 7045005, 7045006, 7045007 Original log message: Adding full bibliography for 7045005--7045007.cif.	7045006.cif
204104	2017-12-09	cif/ Adding structures of 7045005, 7045006, 7045007 via cif-deposit CGI script.	7045006.cif