Crystallography Open Database

Information card for entry 4517349

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Coordinates	4517349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H106 F12 P2 Ru2 S12
Calculated formula	C70 H106 F12 P2 Ru2 S12
Title of publication	Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes
Authors of publication	Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki
Journal of publication	ACS Omega
Year of publication	2020
a	10.8307 ± 0.0009 Å
b	13.7904 ± 0.0012 Å
c	15.3733 ± 0.0013 Å
α	107.399 ± 0.001°
β	96.927 ± 0.001°
γ	108.983 ± 0.001°
Cell volume	2010.6 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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