Crystallography Open Database

Information card for entry 7246548

Preview

Coordinates	7246548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46 Dy2 N12 O18
Calculated formula	C30 H46 Dy2 N12 O18
Title of publication	Influence of lattice water molecules on the magnetization dynamics of binuclear dysprosium(III) compounds: insights from magnetic and <i>ab initio</i> calculations.
Authors of publication	Du, Jiyuan; Wei, Shilong; Jiang, Zhijie; Ke, Hongshan; Sun, Lin; Zhang, Yiquan; Chen, Sanping
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2023
Journal volume	25
Journal issue	16
Pages of publication	11717 - 11724
a	9.182 ± 0.005 Å
b	10.72 ± 0.006 Å
c	12.462 ± 0.007 Å
α	86.385 ± 0.01°
β	88.762 ± 0.009°
γ	67.666 ± 0.008°
Cell volume	1132.4 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.096
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.1824
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
283501 (current)	2023-05-05	cif/ Updating files of 7246547, 7246548 Original log message: Adding full bibliography for 7246547--7246548.cif.	7246548.cif
282170	2023-04-01	cif/ Adding structures of 7246547, 7246548 via cif-deposit CGI script.	7246548.cif