Crystallography Open Database

Information card for entry 4336245

Preview

Coordinates	4336245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H88 F12 Fe2 N6 O3 P6 Ru
Calculated formula	C88 H88 F12 Fe2 N6 O3 P6 Ru
Title of publication	From Antiferromagnetic to Ferromagnetic Interaction in Cyanido-Bridged Fe(III)-Ru(II)-Fe(III) Complexes by Change of the Central Diamagnetic Cyanido-Metal Geometry
Authors of publication	Xiao Ma; Sheng-Min Hu; Chun-Hong Tan; Yong-Fan Zhang; Xu-Dong Zhang; Tian-Lu Sheng; Xin-Tao Wu
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11343 - 11350
a	11.55 ± 0.003 Å
b	34.84 ± 0.009 Å
c	25.912 ± 0.006 Å
α	90°
β	110.65 ± 0.01°
γ	90°
Cell volume	9757 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1106
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.2125
Weighted residual factors for all reflections included in the refinement	0.2427
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4336245.html