Crystallography Open Database

Information card for entry 7708940

Preview

Coordinates	7708940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H64 F12 O18 Ru2
Calculated formula	C56 H64 F12 O18 Ru2
Title of publication	Role of intramolecular hydrogen bonding in the redox chemistry of hydroxybenzoate-bridged paddlewheel diruthenium(II,II) complexes.
Authors of publication	Kosaka, Wataru; Watanabe, Yudai; Aliyah, Kinanti Hantiyana; Miyasaka, Hitoshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	51
Journal issue	1
Pages of publication	85 - 94
a	18.1637 ± 0.0006 Å
b	8.5969 ± 0.0003 Å
c	20.5738 ± 0.0007 Å
α	90°
β	111.7 ± 0.004°
γ	90°
Cell volume	2984.96 ± 0.19 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
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	0.0668
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	1.132
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272655 (current)	2022-02-04	cif/ Updating files of 7708935, 7708936, 7708937, 7708938, 7708939, 7708940, 7708941 Original log message: Adding full bibliography for 7708935--7708941.cif.	7708940.cif
270883	2021-11-26	cif/ Adding structures of 7708935, 7708936, 7708937, 7708938, 7708939, 7708940, 7708941 via cif-deposit CGI script.	7708940.cif