Crystallography Open Database

Information card for entry 7047771

Preview

Coordinates	7047771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H18 Dy N3 O7 S
Calculated formula	C29 H18 Dy N3 O7 S
Title of publication	Dy(iii) zig-zag chains assembled in a 3D framework with single-molecule magnet behaviour.
Authors of publication	Bai, Chao; Li, Chuan-Ti; Hu, Huai-Ming; Liu, Bin; Li, Jin-Dian; Xue, Ganglin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	3
Pages of publication	814 - 817
a	9.096 ± 0.004 Å
b	13.463 ± 0.007 Å
c	20.685 ± 0.01 Å
α	90°
β	97.556 ± 0.01°
γ	90°
Cell volume	2511 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.136
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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
224580 (current)	2019-11-08	cif/ Updating files of 7047771 Original log message: Adding full bibliography for 7047771.cif.	7047771.cif
211440	2018-10-13	cif/ Adding structures of 7047771 via cif-deposit CGI script.	7047771.cif