Crystallography Open Database

Information card for entry 7717938

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Coordinates	7717938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H64 F4 O18 Ru2
Calculated formula	C52 H64 F4 O18 Ru2
Title of publication	Introduction of substituents for tuning the redox properties of benzoate-bridged paddlewheel diruthenium(II,II) complexes: what does the OH group bring?
Authors of publication	Kosaka, Wataru; Watanabe, Yudai; Kitayama, Taku; Itoh, Chisa; Miyasaka, Hitoshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	5
Pages of publication	1838 - 1849
a	14.235 ± 0.0004 Å
b	18.3819 ± 0.0005 Å
c	20.277 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5305.8 ± 0.3 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
297509 (current)	2025-01-29	cif/ Adding structures of 7717922, 7717923, 7717924, 7717925, 7717926, 7717927, 7717928, 7717929, 7717930, 7717931, 7717932, 7717933, 7717934, 7717935, 7717936, 7717937, 7717938 via cif-deposit CGI script.	7717938.cif