Crystallography Open Database

Information card for entry 7062348

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Coordinates	7062348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H92 F12 Fe2 N6 O7 P6 Ru
Calculated formula	C84 H78 F12 Fe2 N6 P6 Ru
Title of publication	Synthesis and structural and spectroscopic properties of a cyanido-bridged mixed-valence compound [Fe–NC–Ru–CN–Fe]
Authors of publication	Liu, Ming; Xiong, Yan; Xu, Weixiu; Wang, Yong
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	14
Pages of publication	6796 - 6803
a	30.879 ± 0.004 Å
b	30.879 ± 0.004 Å
c	20.44 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	19490 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1365
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.1921
Weighted residual factors for all reflections included in the refinement	0.2522
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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