Crystallography Open Database

Information card for entry 7242498

Preview

Coordinates	7242498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H44 Dy N5 Na2 O13
Calculated formula	C46 H44 Dy N5 Na2 O13
Title of publication	Regulating the distortion degree of the square antiprism coordination geometry in Dy‒Na single ion magnets
Authors of publication	Wang, Hui-Sheng; Zhang, Ke; Wang, Jia; Hu, Zhaobo; Song, You; Zhang, Zaichao; Pan, Zhi-Quan
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	17
Pages of publication	3175 - 3184
a	10.9971 ± 0.0004 Å
b	29.7015 ± 0.001 Å
c	14.676 ± 0.0004 Å
α	90°
β	111.441 ± 0.001°
γ	90°
Cell volume	4461.9 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
265940 (current)	2021-06-05	cif/ Updating files of 7242497, 7242498 Original log message: Adding full bibliography for 7242497--7242498.cif.	7242498.cif
263229	2021-03-23	cif/ Adding structures of 7242497, 7242498 via cif-deposit CGI script.	7242498.cif