Crystallography Open Database

Information card for entry 7707094

Preview

Coordinates	7707094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 Br Cl Dy N5 O4
Calculated formula	C15 H14 Br Cl Dy N5 O4
Title of publication	Enhancing the magnetic performance of pyrazine-N-oxide bridged dysprosium chains through controlled variation of ligand coordination modes.
Authors of publication	Ji, Xiao-Qin; Xiong, Jin; Sun, Rong; Ma, Fang; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	20
Pages of publication	7048 - 7055
a	8.5054 ± 0.0001 Å
b	10.29646 ± 0.00012 Å
c	12.8339 ± 0.0011 Å
α	68.629 ± 0.01°
β	84.789 ± 0.008°
γ	66.328 ± 0.011°
Cell volume	956.56 ± 0.14 Å³
Cell temperature	100 ± 20 K
Ambient diffraction temperature	100 ± 20 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
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
266046 (current)	2021-06-05	cif/ Updating files of 7707093, 7707094 Original log message: Adding full bibliography for 7707093--7707094.cif.	7707094.cif
264107	2021-04-14	cif/ Adding structures of 7707093, 7707094 via cif-deposit CGI script.	7707094.cif