Crystallography Open Database

Information card for entry 7242497

Preview

Coordinates	7242497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H44 Dy N4 Na O10
Calculated formula	C46 H44 Dy N4 Na O10
SMILES	c12c(cccc1C=[N]1c3ccccc3[N]3=Cc4c5c(ccc4)[O](C)[Na]4678([O]5[Dy]59%1013([N](=Cc1c(c(ccc1)[O]7C)[O]49)c1ccccc1[N]5=Cc1c(c(ccc1)[O]8C)[O]6%10)O2)[OH]C)OC.CO
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	22.3221 ± 0.0006 Å
b	11.774 ± 0.0003 Å
c	16.2459 ± 0.0004 Å
α	90°
β	90.15 ± 0.001°
γ	90°
Cell volume	4269.74 ± 0.19 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	0.0964
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.1019
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	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.	7242497.cif
263229	2021-03-23	cif/ Adding structures of 7242497, 7242498 via cif-deposit CGI script.	7242497.cif