Crystallography Open Database

Information card for entry 7714283

Preview

Coordinates	7714283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H108 Cl2 F12 Fe2 N6 O4 P6 Ru
Calculated formula	C99 H108 Cl2 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	13.786 ± 0.0002 Å
b	32.4422 ± 0.0004 Å
c	25.3027 ± 0.0004 Å
α	90°
β	100.979 ± 0.002°
γ	90°
Cell volume	11109.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
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	0.0648
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1558
Weighted residual factors for all reflections included in the refinement	0.1624
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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