Crystallography Open Database

Information card for entry 7714282

Preview

Coordinates	7714282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H108 B4 Cl2 F16 Fe2 N6 O4 P4 Ru
Calculated formula	C99 H108 B4 Cl2 F16 Fe2 N6 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	12.8285 ± 0.0002 Å
b	15.42782 ± 0.00019 Å
c	28.5354 ± 0.0003 Å
α	96.4022 ± 0.0009°
β	101.32 ± 0.0012°
γ	91.2395 ± 0.0012°
Cell volume	5497.71 ± 0.13 Å³
Cell temperature	99.9 ± 0.3 K
Ambient diffraction temperature	99.9 ± 0.3 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1225
Residual factor for significantly intense reflections	0.1096
Weighted residual factors for significantly intense reflections	0.2895
Weighted residual factors for all reflections included in the refinement	0.2998
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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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