Crystallography Open Database

Information card for entry 7061412

Preview

Coordinates	7061412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H57 B Cl3 F4 N5 P2 Ru2
Calculated formula	C58 H57 B Cl3 F4 N5 P2 Ru2
Title of publication	A Class III asymmetric binuclear cyanido-bridged mixed-valence complex
Authors of publication	Liu, Xiao-Lin; Li, Yi; Xu, Qing-Dou; Wei, Zi-Qin; Wu, Xin-Tao; Sheng, Tian-Lu
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	17
Pages of publication	7922 - 7927
a	11.0409 ± 0.0003 Å
b	12.7863 ± 0.0004 Å
c	39.5972 ± 0.0012 Å
α	90°
β	91.115 ± 0.002°
γ	90°
Cell volume	5589 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.0582
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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