Crystallography Open Database

Information card for entry 7714284

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Coordinates	7714284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H98 B3 F12 Fe2 N10 O4 P4 Ru
Calculated formula	C96 H98 B3 F12 Fe2 N10 O4 P4 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	15.4029 ± 0.0002 Å
b	36.5766 ± 0.0004 Å
c	17.9 ± 0.0002 Å
α	90°
β	108.324 ± 0.001°
γ	90°
Cell volume	9573.3 ± 0.2 Å³
Cell temperature	99.98 ± 0.13 K
Ambient diffraction temperature	99.98 ± 0.13 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1662
Weighted residual factors for all reflections included in the refinement	0.1731
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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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