Crystallography Open Database

Information card for entry 7058109

Preview

Coordinates	7058109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H66 F12 Mn N17 O3 P2 Ru2
Calculated formula	C69 H66 F12 Mn N17 O3 P2 Ru2
Title of publication	The syntheses, crystal structures, electrochemical and magnetic properties of tri-nuclear cyanide-bridged complexes [cis-MII(bpy)2(CN)2]2MnIII(salcy) (PF6) (M = Fe, Ru, Os)
Authors of publication	Liu, Ming; Hu, Jianmei; Yu, Meng; Fan, Weiwei; Ding, Wenwen; Wang, Yong
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	7
Pages of publication	3162
a	11.906 ± 0.005 Å
b	28.346 ± 0.01 Å
c	22.673 ± 0.009 Å
α	90°
β	96.952 ± 0.01°
γ	90°
Cell volume	7596 ± 5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
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	0.1012
Residual factor for significantly intense reflections	0.085
Weighted residual factors for significantly intense reflections	0.2166
Weighted residual factors for all reflections included in the refinement	0.2297
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
224884 (current)	2019-11-08	cif/ Updating files of 7058109, 7058110, 7058111 Original log message: Adding full bibliography for 7058109--7058111.cif.	7058109.cif
213218	2019-01-19	cif/ Adding structures of 7058109, 7058110, 7058111 via cif-deposit CGI script.	7058109.cif