Crystallography Open Database

Information card for entry 7062347

Preview

Coordinates	7062347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C172 H166 F42 Fe4 N15 P15 Ru2
Calculated formula	C172 H166 F42 Fe4 N15 P15 Ru2
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	34.313 ± 0.009 Å
b	14.54 ± 0.004 Å
c	38.85 ± 0.011 Å
α	90°
β	110.278 ± 0.005°
γ	90°
Cell volume	18181 ± 9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1181
Residual factor for significantly intense reflections	0.0998
Weighted residual factors for significantly intense reflections	0.2731
Weighted residual factors for all reflections included in the refinement	0.2945
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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