Crystallography Open Database

Information card for entry 7714281

Preview

Coordinates	7714281.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	{[CpFe(dppe)CN]2Ru(MeO-py)4}[PF6]2
Formula	C88 H84 F12 Fe2 N6 O4 P6 Ru
Calculated formula	C88 H86 F12 Fe2 N6 O4 P6 Ru
Title of publication	Different delocalized range in mixed valence cyanidometal-bridged Fe-Ru-Fe complexes controlled by terminal ligand substitution modification
Authors of publication	Chen, Zeng; xu, qingdou; Liu, Xiao-Lin; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu
Journal of publication	Dalton Transactions
Year of publication	2023
a	11.366 ± 0.004 Å
b	13.418 ± 0.006 Å
c	15.982 ± 0.006 Å
α	89.65 ± 0.03°
β	71.93 ± 0.02°
γ	67.437 ± 0.016°
Cell volume	2122.1 ± 1.5 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.096
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1544
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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