Crystallography Open Database

Information card for entry 7706391

Preview

Coordinates	7706391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H31 Br Dy F9 N2 O6
Calculated formula	C52 H31 Br Dy F9 N2 O6
Title of publication	Regulating the magnetic dynamics of mononuclear β-diketone Dy(iii) single-molecule magnets through the substitution effect on capping N-donor coligands.
Authors of publication	Xi, Jing; Ma, Xiufang; Cen, Peipei; Wu, Yuewei; Zhang, Yi-Quan; Guo, Yan; Yang, Jinhui; Chen, Lei; Liu, Xiangyu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	6
Pages of publication	2102 - 2111
a	20.699 ± 0.005 Å
b	11.435 ± 0.003 Å
c	20.275 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4799 ± 2 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
262631 (current)	2021-03-05	cif/ Updating files of 7706390, 7706391, 7706392, 7706393, 7706394 Original log message: Adding full bibliography for 7706390--7706394.cif.	7706391.cif
260935	2021-01-14	cif/ Adding structures of 7706390, 7706391, 7706392, 7706393, 7706394 via cif-deposit CGI script.	7706391.cif